material_id stringlengths 4 10 | formula stringlengths 1 25 | space_group_number int64 1 230 | crystal_system stringclasses 7 values | structure stringlengths 533 242k | deprecated bool 2 classes | uncorrected_energy_per_atom float64 -86.36 -0.03 ⌀ | energy_per_atom float64 -86.36 -0.03 ⌀ | formation_energy_per_atom float64 -5.15 8.99 ⌀ | energy_above_hull float64 -0 9.71 ⌀ | is_stable bool 2 classes | equilibrium_reaction_energy_per_atom float64 -4.52 0 ⌀ | band_gap float64 0 17.9 ⌀ | cbm float64 -9.83 14.7 ⌀ | vbm float64 -14.22 14.7 ⌀ | efermi float64 -14.02 19.4 ⌀ | is_gap_direct bool 2 classes | is_metal bool 2 classes | is_magnetic bool 2 classes | ordering stringclasses 5 values | total_magnetization float64 0 320 ⌀ | total_magnetization_normalized_vol float64 0 0.26 ⌀ | total_magnetization_normalized_formula_units float64 0 214 ⌀ | num_magnetic_sites int64 0 160 ⌀ | num_unique_magnetic_sites int64 0 160 ⌀ | possible_species listlengths 0 10 ⌀ | theoretical bool 2 classes | e_total float64 1.16 127k ⌀ | e_ionic float64 0 127k ⌀ | e_electronic float64 -64.84 46.9k ⌀ | n float64 0 216 ⌀ | universal_anisotropy float64 -8,421,341,618,307,863,000,000,000,000,000,000,000,000,000,000,000,000,000,000,000,000,000,000,000,000,000,000,000,000,000,000,000,000,000,000,000,000 2,889,475,335,111,887,000,000,000,000,000,000,000,000,000,000,000,000,000,000,000,000,000,000,000,000,000,000,000,000,000,000,000,000,000B ⌀ | homogeneous_poisson float64 -179.36 82.9 ⌀ | e_ij_max float64 0 119 ⌀ | xas_is_available bool 2 classes | bandstructure_is_available bool 2 classes | dos_is_available bool 2 classes | decomposes_to_is_available bool 2 classes | types_of_magnetic_species_is_available bool 2 classes |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
mp-3250064 | TbZnCdAg3 | 160 | Trigonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.714667865053191,-0.044301746446922,2.590392755241731],[1.512176806981469,4.465800025631301,2.5903927505086473],[-0.062391125539161006,-0.044301737362214,5.379064735025341]],"pbc":[true,true,true],"a":5.379608754260138,"b":5.379608086690792,"c":5.379608974644216,"alpha":61.8763670692487,"beta":61.87637457787132,"gamma":61.87636112162465,"volume":114.71171836138787},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Tb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.000026436177812199994,0.000026436177478200002,0.0000264361778264],"properties":{"magmom":0.0},"label":"Tb","xyz":[0.00016296458956424888,0.00011571634460635142,0.00027916207784654145]},{"species":[{"element":"Zn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.624320986517638,0.624320986517602,0.624320986517645],"properties":{"magmom":0.0},"label":"Zn","xyz":[3.8485977194901677,2.732775663171847,6.592736119799559]},{"species":[{"element":"Cd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.252028392815333,0.252028392816107,0.25202839281529704],"properties":{"magmom":0.0},"label":"Cd","xyz":[1.553617319909213,1.103177809475732,2.661382084555123]},{"species":[{"element":"Ag","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6238665763693021,0.623866576368982,0.125892031750787],"properties":{"magmom":-0.0},"label":"Ag","xyz":[3.8768657215678655,2.7528477581294712,3.9093003047867114]},{"species":[{"element":"Ag","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6238665763690251,0.125892031750964,0.6238665763691521],"properties":{"magmom":-0.0},"label":"Ag","xyz":[3.092770972399444,0.5069318865218521,5.297987966366586]},{"species":[{"element":"Ag","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.1258920317509,0.623866576368861,0.6238665763693091],"properties":{"magmom":-0.0},"label":"Ag","xyz":[1.498011946112205,2.7528477626528787,5.297987964009884]}]} | false | -20.98392 | -20.98392 | -0.265644 | 0 | true | -0.0157 | 0 | null | null | 5.846628 | false | true | false | NM | 0 | 0 | 0 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250065 | Pa2Mn3Fe | 166 | Trigonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.536679293205801,0.070502174511922,2.402166863616135],[1.477365635346966,4.289966739453951,2.40216686281506],[0.097238371063216,0.07050219415834101,5.132485225488561]],"pbc":[true,true,true],"a":5.133890844833826,"b":5.133890287387534,"c":5.133890381576776,"alpha":61.00708361903404,"beta":61.00708415680616,"gamma":61.00709374008742,"volume":97.85117032332921},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Pa","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6250781581632691,0.62507815816329,0.625078158163276],"properties":{"magmom":-1.3860000000000001},"label":"Pa","xyz":[3.8200297089379363,2.7697032591410333,6.211288488467953]},{"species":[{"element":"Pa","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.37492184183673005,0.374921841836709,0.374921841836723],"properties":{"magmom":-1.3860000000000001},"label":"Pa","xyz":[2.291253590678042,1.6612678489831763,3.725530463451794]},{"species":[{"element":"Mn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.5,0.0],"properties":{"magmom":2.86},"label":"Mn","xyz":[0.738682817673483,2.1449833697269756,1.20108343140753]},{"species":[{"element":"Mn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.0,0.0],"properties":{"magmom":2.86},"label":"Mn","xyz":[2.2683396466029007,0.035251087255961,1.2010834318080674]},{"species":[{"element":"Mn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.5],"properties":{"magmom":2.86},"label":"Mn","xyz":[0.048619185531608,0.035251097079170506,2.5662426127442806]},{"species":[{"element":"Fe","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.0],"properties":{"magmom":2.253},"label":"Fe","xyz":[0.0,0.0,0.0]}]} | false | -35.474609 | -35.474609 | -0.112038 | 0 | true | -0.093897 | 0 | null | null | 11.283113 | false | true | true | FiM | 7.46385 | 0.076278 | 7.46385 | 6 | 3 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250066 | SmCdCuPt3 | 160 | Trigonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.652657712486096,3.120503e-10,2.827536007817851],[1.467146699318851,4.41528022206385,2.827536996344592],[0.034981935951562,0.025238068702092,5.184137954684041]],"pbc":[true,true,true],"a":5.444463579184166,"b":5.444463641385421,"c":5.184317412075611,"alpha":58.32570066794507,"beta":58.32570724789664,"gamma":59.99999536637515,"volume":105.83259444713235},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Sm","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.9986030325382771,0.9986030325385181,0.004190902385211],"properties":{"magmom":0.0},"label":"Sm","xyz":[6.11140185004872,4.4092179898542385,5.66889926730219]},{"species":[{"element":"Cd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.746899924586884,0.746899924586323,0.7593012262392521],"properties":{"magmom":0.0},"label":"Cd","xyz":[4.597443280527016,3.3169357616334523,8.160095906325708]},{"species":[{"element":"Cu","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.376371515206322,0.37637151520625806,0.8708864543810151],"properties":{"magmom":-0.0},"label":"Cu","xyz":[2.3337853534055077,1.6837651995232312,6.6432039175556366]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.376958135129271,0.376958135129321,0.37187347233032103],"properties":{"magmom":-0.0},"label":"Pt","xyz":[2.319918912421096,1.6737611669433514,4.059569155916863]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8742102574102971,0.37695813512943405,0.37187347233156404],"properties":{"magmom":-0.0},"label":"Pt","xyz":[4.633462834202201,1.6737611670990493,5.465567436637073]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.37695813512895104,0.874210257410148,0.371873472332644],"properties":{"magmom":-0.0},"label":"Pt","xyz":[3.0494607223532975,3.8692686278292205,5.465567928187904]}]} | false | -36.683559 | -36.683559 | -0.825583 | 0 | true | -0.099935 | 0 | null | null | 7.048052 | false | true | false | NM | 0 | 0 | 0 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250067 | Li2DyThSi3 | 63 | Orthorhombic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[9.282291663298357,0.026042907915547003,0.0],[-8.273582825299593,4.208258910231815,0.0],[0.0,0.0,6.806254395261854]],"pbc":[true,true,true],"a":9.282328196933724,"b":9.282328146679466,"c":6.806254395261854,"alpha":90.0,"beta":90.0,"gamma":152.87962827707025,"volume":267.33439093789434},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Li","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.19131149752371301,0.80868850247635,0.060816526536868004],"properties":{"magmom":0.0},"label":"Li","xyz":[-4.914942186548092,3.408152903861319,0.41393275104611704]},{"species":[{"element":"Li","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.19131149752371301,0.80868850247635,0.439183473463131],"properties":{"magmom":0.0},"label":"Li","xyz":[-4.914942186548092,3.408152903861319,2.9891944465848037]},{"species":[{"element":"Li","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8086885024762861,0.191311497523649,0.939183473463131],"properties":{"magmom":0.0},"label":"Li","xyz":[5.923651024546855,0.8261489142860393,6.3923216442157305]},{"species":[{"element":"Li","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8086885024762861,0.191311497523649,0.5608165265368681],"properties":{"magmom":0.0},"label":"Li","xyz":[5.923651024546855,0.8261489142860393,3.817059948677045]},{"species":[{"element":"Dy","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.34535606976855604,0.654643930231365,0.25],"properties":{"magmom":-0.0},"label":"Dy","xyz":[-2.210555010566693,2.7639052287483743,1.7015635988154636]},{"species":[{"element":"Dy","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6546439302314441,0.34535606976863403,0.75],"properties":{"magmom":-0.0},"label":"Dy","xyz":[3.219263848565466,1.4703965893989839,5.104690796446391]},{"species":[{"element":"Th","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.553781548068457,0.44621845193158505,0.25],"properties":{"magmom":0.0},"label":"Th","xyz":[1.4485365266913632,1.8922248581126155,1.7015635988154636]},{"species":[{"element":"Th","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.446218451931542,0.5537815480684141,0.75],"properties":{"magmom":0.0},"label":"Th","xyz":[-0.4398276886926006,2.342076960034743,5.104690796446391]},{"species":[{"element":"Si","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7223021398330971,0.277697860166881,0.25],"properties":{"magmom":-0.0},"label":"Si","xyz":[4.407062884456167,1.1874353425144617,1.7015635988154636]},{"species":[{"element":"Si","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.277697860166895,0.7223021398331181,0.75],"properties":{"magmom":-0.0},"label":"Si","xyz":[-3.3983540464574684,3.0468664756328967,5.104690796446391]},{"species":[{"element":"Si","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.05980229062126301,0.940197709378757,0.9276347172447281],"properties":{"magmom":-0.0},"label":"Si","xyz":[-7.223701317022207,3.9581528134204853,6.313717871444418]},{"species":[{"element":"Si","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.940197709378736,0.059802290621242,0.072365282755271],"properties":{"magmom":-0.0},"label":"Si","xyz":[8.23241015502097,0.2761490047268728,0.4925365238174301]},{"species":[{"element":"Si","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.940197709378736,0.059802290621242,0.427634717244728],"properties":{"magmom":-0.0},"label":"Si","xyz":[8.23241015502097,0.2761490047268728,2.9105906738134903]},{"species":[{"element":"Si","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.05980229062126301,0.940197709378757,0.5723652827552711],"properties":{"magmom":-0.0},"label":"Si","xyz":[-7.223701317022207,3.9581528134204853,3.895663721448358]}]} | false | -20.151655 | -20.151655 | -0.644259 | 0 | true | -0.033298 | 0 | null | null | 6.1822 | false | true | false | NM | 0.00001 | 0 | 0.000005 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250068 | LiYb4RuC8 | 23 | Orthorhombic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[6.334924945655325,-0.066181947146739,-2.316255566799123],[-1.570810631111564,4.54530657121146,-4.730057021248152],[0.21063834048905603,0.06618195148205301,6.741804477607186]],"pbc":[true,true,true],"a":6.745420221746172,"b":6.74542046794491,"c":6.745418902890336,"alpha":134.548257157079,"beta":108.29850429164884,"gamma":89.11317017183073,"volume":197.93129930562142},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Li","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.25,0.25],"properties":{"magmom":-0.0},"label":"Li","xyz":[-0.340043072655627,1.1528721306733785,0.5029368640897585]},{"species":[{"element":"Yb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.200091672802123,0.343043188309025,0.845095444358207],"properties":{"magmom":-0.0},"label":"Yb","xyz":[0.9067193442803235,1.6019240672126682,3.6113909583290726]},{"species":[{"element":"Yb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7999083271978831,0.6450037715569571,0.14295151550773202],"properties":{"magmom":-0.0},"label":"Yb","xyz":[4.084291504731513,2.888261200944785,-3.939945566854834]},{"species":[{"element":"Yb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.497946743950315,0.854996228442999,0.654904555640307],"properties":{"magmom":-0.0},"label":"Yb","xyz":[1.9493660934389379,3.8966077519397304,-0.7823143655107453]},{"species":[{"element":"Yb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.502053256049677,0.15695681169101702,0.35704848449375204],"properties":{"magmom":-0.0},"label":"Yb","xyz":[3.00912836761485,0.7038201309963575,0.5018527531563283]},{"species":[{"element":"Ru","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.75,0.75],"properties":{"magmom":-0.002},"label":"Ru","xyz":[-1.020129217966881,3.458616392020135,1.5088105922692754]},{"species":[{"element":"C","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7894437089498111,0.13464351406591302,0.671036425034188],"properties":{"magmom":-0.0},"label":"C","xyz":[4.930913180688775,0.6041596275580581,2.058571490330465]},{"species":[{"element":"C","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.210556291049762,0.8815917160748931,0.345197805102309],"properties":{"magmom":-0.0},"label":"C","xyz":[0.021756553532685755,4.016015459264123,-2.3304251596639234]},{"species":[{"element":"C","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.46360508903623504,0.6184082839219011,0.828963574973393],"properties":{"magmom":-0.0},"label":"C","xyz":[2.1401126484746933,2.8350353762015423,1.5897760278894901]},{"species":[{"element":"C","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.53639491096419,0.36535648593729003,0.154802194890116],"properties":{"magmom":-0.0},"label":"C","xyz":[2.856722927369474,1.6354026880698131,-1.926938579436151]},{"species":[{"element":"C","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8866706542447951,0.028252464875542,0.760153036940543],"properties":{"magmom":-0.0},"label":"C","xyz":[5.732730148193145,0.12004293528566279,2.9374115394484024]},{"species":[{"element":"C","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.11332934575622002,0.873482382704288,0.141581810642591],"properties":{"magmom":-0.0},"label":"C","xyz":[-0.6243199556974885,3.9721150176949203,-3.4396043202985775]},{"species":[{"element":"C","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.268099427930508,0.626517617298731,0.7398469630534801],"properties":{"magmom":-0.0},"label":"C","xyz":[0.8700893565948171,2.878935816531251,1.4034527212188053]},{"species":[{"element":"C","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.731900572068482,0.471747535121437,0.35841818936338404],"properties":{"magmom":-0.0},"label":"C","xyz":[3.9710057609751956,2.1195193815817057,-1.5102761612488238]}]} | false | -18.409447 | -18.409447 | -0.30183 | 0.038877 | false | null | 0 | null | null | 5.060462 | false | true | false | NM | 0.007194 | 0.000036 | 0.007194 | 0 | 0 | [
"Yb3+",
"C2-",
"Li+",
"Ru3+"
] | true | null | null | null | null | null | null | null | false | false | false | true | true |
mp-3250069 | Tb9DyRu4 | 5 | Monoclinic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[8.449398267658696,0.0035703943446650003,1.00383470251996],[6.052746140972368,5.895452771138471,1.003872786442617],[0.0017219702715500001,0.000746835543646,7.250065831311963]],"pbc":[true,true,true],"a":8.508820596487674,"b":8.508810715672327,"c":7.250066074271473,"alpha":83.21057420939525,"beta":83.211096017406,"gamma":43.89660550258727,"volume":360.9790748954281},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Tb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.20660333060003203,0.980144505725775,0.587252440582496],"properties":{"magmom":-0.003},"label":"Tb","xyz":[7.67925092953596,5.779571878756051,5.448954842813585]},{"species":[{"element":"Tb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.019870759010764003,0.7933945360860971,0.9127533941962651],"properties":{"magmom":0.003},"label":"Tb","xyz":[4.971683407536362,4.678172639497869,7.433936336825874]},{"species":[{"element":"Tb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.20893501065314202,0.359106479358871,0.31426810014932705],"properties":{"magmom":-0.002},"label":"Tb","xyz":[3.939496634529243,2.1180759758379004,2.8486978510925516]},{"species":[{"element":"Tb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6408827387893431,0.7910410792443651,0.18573333063274303],"properties":{"magmom":0.002},"label":"Tb","xyz":[10.203364169919768,4.665972239074682,2.784023820010611]},{"species":[{"element":"Tb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7908134618283421,0.641413278610492,0.685740982143997],"properties":{"magmom":-0.002},"label":"Tb","xyz":[10.565390466876895,3.7847573424802343,6.409410595235743]},{"species":[{"element":"Tb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.35857788148219705,0.209158913499209,0.814265011727464],"properties":{"magmom":0.002},"label":"Tb","xyz":[4.297155277292069,1.234974882690095,6.473396801449801]},{"species":[{"element":"Tb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.9805246540719351,0.20631381873880603,0.08782944584450501],"properties":{"magmom":0.003},"label":"Tb","xyz":[9.533759723407343,1.2198798282394927,1.8281667668330401]},{"species":[{"element":"Tb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.793686097972575,0.019485302529766,0.41217427828419],"properties":{"magmom":-0.003},"label":"Tb","xyz":[6.824819282820889,0.11801627955242021,3.804581064531636]},{"species":[{"element":"Tb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.578447578091925,0.421571089114877,0.7499960589692941],"properties":{"magmom":0.0},"label":"Tb","xyz":[7.4404882179641945,2.487977855230102,6.44139029714261]},{"species":[{"element":"Dy","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.42238283698949103,0.5776321517346831,0.24999503699766001],"properties":{"magmom":-0.0},"label":"Dy","xyz":[7.065572072483184,3.4070978481147507,2.816352222953928]},{"species":[{"element":"Ru","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.17277746213661502,0.6058892182982161,0.574989959158521],"properties":{"magmom":0.003},"label":"Ru","xyz":[5.128149332794983,3.573037577631577,4.950390766397286]},{"species":[{"element":"Ru","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.39411520692785,0.8272200252460351,0.925008453497774],"properties":{"magmom":-0.003},"label":"Ru","xyz":[8.338581999274984,4.878934566075181,7.932422375628812]},{"species":[{"element":"Ru","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8270126424182601,0.394634383751771,0.42457460065219904],"properties":{"magmom":0.003},"label":"Ru","xyz":[9.377112036369606,2.3298182199400546,4.3045405133565655]},{"species":[{"element":"Ru","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.60537033902753,0.172995218061046,0.075418907163559],"properties":{"magmom":-0.003},"label":"Ru","xyz":[6.162241101512888,1.022102874067122,1.3281489876497066]}]} | false | -29.994831 | -29.994831 | -0.372127 | 0 | true | -0.030204 | 0 | null | null | 4.729763 | false | true | false | NM | 0.000002 | 0 | 0.000002 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250070 | Th6OsPd6Ru | 148 | Trigonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[7.310855396878712,0.09631455545216001,-3.290183863472539],[-5.116505966517939,5.222951757586783,-3.290185481820602],[0.039732306532118004,0.09631483032131001,8.017002239886182]],"pbc":[true,true,true],"a":8.017680024989625,"b":8.017679145006714,"c":8.01767922263433,"alpha":113.93303166625581,"beta":113.933019598542,"gamma":113.93303551172401,"volume":314.6822476310449},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Th","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.400497249696869,0.042980421458111005,0.280907596487502],"properties":{"magmom":0.0},"label":"Th","xyz":[2.7192290032783974,0.290113949852489,0.7929136832395691]},{"species":[{"element":"Th","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.042980421455943,0.280907596485214,0.40049724969410505],"properties":{"magmom":0.0},"label":"Th","xyz":[-1.1071290678053922,1.509880289616042,2.145135763057532]},{"species":[{"element":"Th","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.28090759648686203,0.40049724969571804,0.042980421457897],"properties":{"magmom":0.0},"label":"Th","xyz":[0.006235961438281421,2.1229729564855457,-1.8973737424466486]},{"species":[{"element":"Th","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.59950275030313,0.9570195785418881,0.719092403512505],"properties":{"magmom":0.0},"label":"Th","xyz":[-0.4851472663855083,5.1254671935077605,0.643719211353534]},{"species":[{"element":"Th","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.9570195785440561,0.7190924035147851,0.5995027503058951],"properties":{"magmom":0.0},"label":"Th","xyz":[3.341210804698281,3.9057008537442064,-0.7085028684644851]},{"species":[{"element":"Th","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7190924035131371,0.599502750304282,0.9570195785421021],"properties":{"magmom":0.0},"label":"Th","xyz":[2.2278457754546026,3.2926081868747072,3.334006637039684]},{"species":[{"element":"Os","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.5,0.5],"properties":{"magmom":-0.0},"label":"Os","xyz":[1.1170408684464457,2.7077905716801265,0.7183164472965204]},{"species":[{"element":"Pd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.22952765321673502,0.063665739011938,0.570279957082618],"properties":{"magmom":0.0},"label":"Pd","xyz":[1.374955886799048,0.4095563546560667,3.607275422272664]},{"species":[{"element":"Pd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.06366573901547601,0.570279957086121,0.22952765322030103],"properties":{"magmom":0.0},"label":"Pd","xyz":[-2.443270128263821,3.006783558504241,-0.24567511255983246]},{"species":[{"element":"Pd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.570279957082604,0.22952765321699703,0.063665739011945],"properties":{"magmom":0.0},"label":"Pd","xyz":[2.9973842814615064,1.2598700751843885,-2.1211060924831413]},{"species":[{"element":"Pd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.770472346783265,0.936334260988061,0.42972004291738103],"properties":{"magmom":0.0},"label":"Pd","xyz":[0.859125850093849,5.006024788704181,-2.1706425276796284]},{"species":[{"element":"Pd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.9363342609845231,0.42972004291387805,0.7704723467796981],"properties":{"magmom":0.0},"label":"Pd","xyz":[4.6773518651567105,2.4087975848560066,1.6823080071528722]},{"species":[{"element":"Pd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.429720042917395,0.770472346783009,0.9363342609880541],"properties":{"magmom":0.0},"label":"Pd","xyz":[-0.7633025445686532,4.155711068175895,3.5577389870761573]},{"species":[{"element":"Ru","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.0],"properties":{"magmom":-0.0},"label":"Ru","xyz":[0.0,0.0,0.0]}]} | false | -47.710652 | -47.710652 | -0.780362 | 0 | true | -0.015012 | 0 | null | null | 8.693853 | false | true | false | NM | 0.000021 | 0 | 0.000021 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250071 | Pr3Nd3(CI3)2 | 6 | Monoclinic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.059654487971177,0.0,0.0],[0.0,8.998938393154264,-0.415308066100807],[0.0,0.009746901673829,12.19581485073779]],"pbc":[true,true,true],"a":4.059654487971177,"b":9.008516692194904,"c":12.195818745601652,"alpha":92.59657943695304,"beta":90.0,"gamma":90.0,"volume":445.56102278792724},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Pr","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.25,0.9135034182290551,0.6004964108327681],"properties":{"magmom":0.007},"label":"Pr","xyz":[1.0149136219927943,8.226413962050973,6.944157707047828]},{"species":[{"element":"Pr","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.75,0.08671428249884601,0.39968043394745906],"properties":{"magmom":-0.007},"label":"Pr","xyz":[3.0447408659783832,0.7842321319043294,4.838415430917831]},{"species":[{"element":"Pr","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.25,0.8857106830117941,0.17740243790433402],"properties":{"magmom":0.101},"label":"Pr","xyz":[1.0149136219927943,7.972184994700671,1.7957244958643124]},{"species":[{"element":"Nd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.75,0.11441002918838401,0.821147088591189],"properties":{"magmom":-0.10300000000000001},"label":"Nd","xyz":[3.0447408659783832,1.037572444157498,9.967042449715757]},{"species":[{"element":"Nd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.25,0.299903184321188,0.616563580832682],"properties":{"magmom":-0.004},"label":"Nd","xyz":[1.0149136219927943,2.7048198642151986,7.394943064045387]},{"species":[{"element":"Nd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.75,0.7000333752521181,0.383654914810073],"properties":{"magmom":0.004},"label":"Nd","xyz":[3.0447408659783832,6.303296663776986,4.388254800317252]},{"species":[{"element":"C","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.25,0.876782911626058,0.38147848284915403],"properties":{"magmom":0.002},"label":"C","xyz":[1.0149136219927943,7.893833639156328,4.2883059309509814]},{"species":[{"element":"C","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.75,0.12310665346318901,0.6194726577102541],"properties":{"magmom":-0.002},"label":"C","xyz":[3.0447408659783832,1.1138671293869564,7.503846652354785]},{"species":[{"element":"I","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.25,0.854951091617117,0.87626118110893],"properties":{"magmom":-0.004},"label":"I","xyz":[1.0149136219927943,7.702193034195285,10.331651041223047]},{"species":[{"element":"I","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.75,0.147763275893218,0.12276315309023202],"properties":{"magmom":0.004},"label":"I","xyz":[3.0447408659783832,1.330909176916065,1.4358294052293161]},{"species":[{"element":"I","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.25,0.37941784983861004,0.8741417556339001],"properties":{"magmom":-0.006},"label":"I","xyz":[1.0149136219927943,3.422878029701859,10.503295711549322]},{"species":[{"element":"I","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.75,0.6171966315517491,0.12625859181520102],"properties":{"magmom":0.006},"label":"I","xyz":[3.0447408659783832,5.55534509387642,1.2834996696393801]},{"species":[{"element":"I","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.25,0.38478108795091204,0.365448058533054],"properties":{"magmom":-0.001},"label":"I","xyz":[1.0149136219927943,3.466183291614543,4.297134169921655]},{"species":[{"element":"I","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.75,0.615724525557787,0.635230252340775],"properties":{"magmom":0.001},"label":"I","xyz":[3.0447408659783832,5.54705859945847,7.491435183175296]}]} | false | -25.774493 | -25.774493 | -1.223603 | 0 | true | -0.000231 | 0.1185 | 5.0474 | 4.9289 | 4.980491 | false | false | true | AFM | 0.000001 | 0 | 0.000001 | 2 | 6 | [
"C4-",
"Pr3+",
"I-",
"Nd2+",
"Pr2+"
] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250072 | SrEu(AlTe2)4 | 89 | Tetragonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[8.321159590221958,0.0,0.0],[0.0,8.321159590221958,0.0],[0.0,0.0,6.736397462902089]],"pbc":[true,true,true],"a":8.321159590221958,"b":8.321159590221958,"c":6.736397462902089,"alpha":90.0,"beta":90.0,"gamma":90.0,"volume":466.4395914989569},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Sr","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.5,0.0],"properties":{"magmom":-0.001},"label":"Sr","xyz":[4.160579795110979,4.160579795110979,0.0]},{"species":[{"element":"Eu","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.0],"properties":{"magmom":6.839},"label":"Eu","xyz":[0.0,0.0,0.0]},{"species":[{"element":"Al","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.0,0.5],"properties":{"magmom":0.001},"label":"Al","xyz":[4.160579795110979,0.0,3.3681987314510446]},{"species":[{"element":"Al","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.5,0.5],"properties":{"magmom":0.001},"label":"Al","xyz":[0.0,4.160579795110979,3.3681987314510446]},{"species":[{"element":"Al","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.5,0.0],"properties":{"magmom":0.0},"label":"Al","xyz":[0.0,4.160579795110979,0.0]},{"species":[{"element":"Al","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.0,0.0],"properties":{"magmom":0.0},"label":"Al","xyz":[4.160579795110979,0.0,0.0]},{"species":[{"element":"Te","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6738256669546551,0.829055641141444,0.24885875070970803],"properties":{"magmom":-0.008},"label":"Te","xyz":[5.6070109107174355,6.898704299111741,1.6764114569018607]},{"species":[{"element":"Te","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.32617433304534404,0.17094435885855502,0.24885875070970803],"properties":{"magmom":-0.008},"label":"Te","xyz":[2.7141486795045155,1.422455291110209,1.6764114569018607]},{"species":[{"element":"Te","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.829055641141444,0.6738256669546551,0.751141249290292],"properties":{"magmom":-0.008},"label":"Te","xyz":[6.898704299111741,5.6070109107174355,5.059986006000229]},{"species":[{"element":"Te","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6738256669546551,0.17094435885855502,0.751141249290292],"properties":{"magmom":-0.008},"label":"Te","xyz":[5.6070109107174355,1.422455291110209,5.059986006000229]},{"species":[{"element":"Te","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.32617433304534404,0.829055641141444,0.751141249290292],"properties":{"magmom":-0.008},"label":"Te","xyz":[2.7141486795045155,6.898704299111741,5.059986006000229]},{"species":[{"element":"Te","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.17094435885855502,0.32617433304534404,0.751141249290292],"properties":{"magmom":-0.008},"label":"Te","xyz":[1.422455291110209,2.7141486795045155,5.059986006000229]},{"species":[{"element":"Te","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.17094435885855502,0.6738256669546551,0.24885875070970803],"properties":{"magmom":-0.008},"label":"Te","xyz":[1.422455291110209,5.6070109107174355,1.6764114569018607]},{"species":[{"element":"Te","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.829055641141444,0.32617433304534404,0.24885875070970803],"properties":{"magmom":-0.008},"label":"Te","xyz":[6.898704299111741,2.7141486795045155,1.6764114569018607]}]} | false | -21.278354 | -21.278354 | -0.997445 | 0 | true | -0.014695 | 0.487 | 5.2337 | 4.7467 | 4.777668 | false | false | true | FM | 7.000652 | 0.015009 | 7.000652 | 1 | 1 | [
"Sr2+",
"Eu2+",
"Al3+",
"Te2-"
] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250073 | RbNd(GaO2)4 | 44 | Orthorhombic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[6.59168779393879,-0.013791120455129001,-1.586888778806949],[-1.638120631893635,4.549568362496035,-4.7525501757676665],[0.05405311842287001,0.013791112627009001,6.779796927726598]],"pbc":[true,true,true],"a":6.780026118243826,"b":6.780025417566643,"c":6.780026424403502,"alpha":134.54755708927917,"beta":103.07926173318161,"gamma":94.14037173386471,"volume":204.030107040187},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Rb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[2.129999999999999e-14,0.9995668510116711,0.999566851011998],"properties":{"magmom":0.0},"label":"Rb","xyz":[-1.5833813762297022,4.561382860583017,2.02636865208141]},{"species":[{"element":"Nd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.500000000001193,0.9124207778347041,0.412420777834327],"properties":{"magmom":-0.0},"label":"Nd","xyz":[1.8234812249821228,4.149912885290044,-2.333640794985978]},{"species":[{"element":"Ga","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.87655568886803,0.6284609177487961,0.159549987123824],"properties":{"magmom":-0.0},"label":"Ga","xyz":[4.75711081366426,2.8493375952064004,-3.296071919253302]},{"species":[{"element":"Ga","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5310890693752051,0.28299329825541203,0.15954998712326302],"properties":{"magmom":-0.0},"label":"Ga","xyz":[3.045820349883372,1.2823734150551258,-1.1060026215862515]},{"species":[{"element":"Ga","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.12344431113209701,0.282993298253956,0.7519052288786411],"properties":{"magmom":-0.0},"label":"Ga","xyz":[0.39077202074254413,1.296164530866582,3.5569325191919865]},{"species":[{"element":"Ga","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.46891093062492206,0.628460917747339,0.7519052288791951],"properties":{"magmom":-0.0},"label":"Ga","xyz":[2.102062484523435,2.863128711017852,1.3668632215248937]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.47962994497034106,0.274921943044489,0.41139425109619004],"properties":{"magmom":0.0},"label":"O","xyz":[2.7334526889800568,1.2498351243371428,0.7214697732746304]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5203700550313001,0.9317643061219131,0.7952929980658251],"properties":{"magmom":0.0},"label":"O","xyz":[1.9467626727660456,4.242916897632944,0.13789900693909554]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7679645307708041,0.595807597680831,0.36377212845544404],"properties":{"magmom":0.0},"label":"O","xyz":[4.10584072319823,2.7050931275884436,-1.5839786405888923]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.23203546922669402,0.5958075976760351,0.827843066906439],"properties":{"magmom":0.0},"label":"O","xyz":[0.598248151201409,2.7188842443888825,2.4127878961920426]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.136472308054642,0.9317643061233121,0.41139425109061906],"properties":{"magmom":0.0},"label":"O","xyz":[-0.6045223445355271,4.242916886853415,-1.8556535114816173]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8635276919469981,0.27492194304308903,0.7952929980713891],"properties":{"magmom":0.0},"label":"O","xyz":[5.284737706281624,1.2498351351166683,2.7150222916953024]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.317153171907314,0.406959794638304,0.08980662273204801],"properties":{"magmom":0.0},"label":"O","xyz":[1.4287797841359031,1.8483560421465604,-1.8285129883131523]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6828468280904331,0.772653450820143,0.089806622730783],"properties":{"magmom":0.0},"label":"O","xyz":[3.2402678707748613,3.5070610054148426,-4.146805597763726]}]} | false | -12.166095 | -12.166095 | -2.387507 | 0 | true | -0.055529 | 3.783 | 4.6293 | 0.8463 | 2.7378 | true | false | false | NM | 0 | 0 | 0 | 0 | 0 | [
"Nd3+",
"Ga3+",
"Rb+",
"O2-"
] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250074 | K3TbV2O8 | 164 | Trigonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.936006875781711,8.7534663e-9,0.0],[-2.968003922633499,5.140733283070299,0.0],[0.0,0.0,7.5406282119223045]],"pbc":[true,true,true],"a":5.936006875781711,"b":5.9360075785358095,"c":7.5406282119223045,"alpha":90.0,"beta":90.0,"gamma":120.00000140192883,"volume":230.10549833774743},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"K","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.6815931890964321],"properties":{"magmom":0.0},"label":"K","xyz":[-3.291165331754927e-6,3.4271572385424256,5.13964083075465]},{"species":[{"element":"K","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.31840681090356704],"properties":{"magmom":0.0},"label":"K","xyz":[2.9680062443135413,1.7135760532813347,2.400987381167648]},{"species":[{"element":"K","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.0],"properties":{"magmom":-0.0},"label":"K","xyz":[0.0,0.0,0.0]},{"species":[{"element":"Tb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.5],"properties":{"magmom":0.0},"label":"Tb","xyz":[0.0,0.0,3.7703141059611522]},{"species":[{"element":"V","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.23765529780774802],"properties":{"magmom":-0.0},"label":"V","xyz":[-3.291165331754927e-6,3.4271572385424256,1.7920702433619018]},{"species":[{"element":"V","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.762344702192251],"properties":{"magmom":-0.0},"label":"V","xyz":[2.9680062443135413,1.7135760532813347,5.748557968560395]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.017756852891849],"properties":{"magmom":0.0},"label":"O","xyz":[-3.291165331754927e-6,3.4271572385424256,0.13389782587123072]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.9822431471081501],"properties":{"magmom":0.0},"label":"O","xyz":[2.9680062443135413,1.7135760532813347,7.406730386051067]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.17489472275509102,0.825105277253605,0.319894568675884],"properties":{"magmom":-0.0},"label":"O","xyz":[-1.4107394226621441,4.241646162345489,2.412206009398088]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.825105277244908,0.174894722746394,0.680105431324115],"properties":{"magmom":-0.0},"label":"O","xyz":[4.3787423758103525,0.899087129478271,5.128422202524209]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.174894722752299,0.34978844549868804,0.319894568675884],"properties":{"magmom":-0.0},"label":"O","xyz":[2.7984636029527595e-6,1.798169105339462,2.412206009398088]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8251052772477011,0.6502115545013111,0.680105431324115],"properties":{"magmom":-0.0},"label":"O","xyz":[2.9680001546846126,3.3425641864842985,5.128422202524209]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.650211554492614,0.8251052772477011,0.319894568675884],"properties":{"magmom":-0.0},"label":"O","xyz":[1.410744558724094,4.2416461664758085,2.412206009398088]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.349788445507385,0.174894722752299,0.680105431324115],"properties":{"magmom":-0.0},"label":"O","xyz":[1.5572583944241123,0.8990871253479571,5.128422202524209]}]} | false | -11.730673 | -11.730673 | -2.784913 | 0 | true | -0.026241 | 3.6828 | 2.9079 | -0.7749 | -0.766764 | false | false | false | NM | 0 | 0 | 0 | 0 | 0 | [
"K+",
"V5+",
"O2-",
"Tb3+"
] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250075 | Li2Er2Si3 | 63 | Orthorhombic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[9.169754648698465,-0.022911850517551003,0.0],[-8.19434520563354,4.115533986127761,0.0],[0.0,0.0,6.653650533777179]],"pbc":[true,true,true],"a":9.169783272805375,"b":9.169782622290567,"c":6.653650533777179,"alpha":90.0,"beta":90.0,"gamma":153.47549384877325,"volume":249.84916382966514},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Li","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.809358264703526,0.190641735296459,0.5592969511839381],"properties":{"magmom":0.0},"label":"Li","xyz":[5.859432520607483,0.7660486452109178,3.721366457784958]},{"species":[{"element":"Li","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.19064173529647302,0.8093582647035401,0.44070304881606803],"properties":{"magmom":0.0},"label":"Li","xyz":[-4.884023077542561,3.3265734903992885,2.932284075992261]},{"species":[{"element":"Li","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.19064173529647302,0.8093582647035401,0.059296951183938004],"properties":{"magmom":0.0},"label":"Li","xyz":[-4.884023077542561,3.3265734903992885,0.3945411908963684]},{"species":[{"element":"Li","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.809358264703526,0.190641735296459,0.940703048816061],"properties":{"magmom":0.0},"label":"Li","xyz":[5.859432520607483,0.7660486452109178,6.259109342880804]},{"species":[{"element":"Er","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.553206505301375,0.44679349469892304,0.25],"properties":{"magmom":0.001},"label":"Er","xyz":[1.4115877924831408,1.8261188274594096,1.6634126334442947]},{"species":[{"element":"Er","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.44679349469862406,0.5532065053010761,0.75],"properties":{"magmom":0.001},"label":"Er","xyz":[-0.43617834941821726,2.2665033081507966,4.990237900332884]},{"species":[{"element":"Er","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.34336564675132303,0.656634353248563,0.25],"properties":{"magmom":-0.001},"label":"Er","xyz":[-2.232109828895344,2.694533854882254,1.6634126334442947]},{"species":[{"element":"Er","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.656634353248676,0.34336564675143605,0.75],"properties":{"magmom":-0.001},"label":"Er","xyz":[3.2075192719602676,1.3980882807279518,4.990237900332884]},{"species":[{"element":"Si","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.9404083656118871,0.059591634388603,0.072474010212403],"properties":{"magmom":-0.0},"label":"Si","xyz":[8.13499955869641,0.22370490071684146,0.4822167367347279]},{"species":[{"element":"Si","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.059591634388112005,0.9404083656113961,0.927525989787596],"properties":{"magmom":-0.0},"label":"Si","xyz":[-7.159590115631488,3.8689172348933645,6.171433797042444]},{"species":[{"element":"Si","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.059591634388112005,0.9404083656113961,0.5724740102124031],"properties":{"magmom":-0.0},"label":"Si","xyz":[-7.159590115631488,3.8689172348933645,3.809042003623318]},{"species":[{"element":"Si","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.9404083656118871,0.059591634388603,0.42752598978759604],"properties":{"magmom":-0.0},"label":"Si","xyz":[8.13499955869641,0.22370490071684146,2.844608530153855]},{"species":[{"element":"Si","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7206406523176411,0.279359347682309,0.25],"properties":{"magmom":-0.0},"label":"Si","xyz":[4.318931040301341,1.133201678826252,1.6634126334442947]},{"species":[{"element":"Si","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.27935934768235104,0.72064065231769,0.75],"properties":{"magmom":-0.0},"label":"Si","xyz":[-3.3435215972364816,2.959420456783954,4.990237900332884]}]} | false | -14.772606 | -14.772606 | -0.637524 | 0 | true | -0.019223 | 0 | null | null | 5.239242 | false | true | false | NM | 0.000431 | 0.000002 | 0.000216 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250076 | RbLaTiS4 | 4 | Monoclinic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[6.567963267063595,0.0,-2.099569902695156],[0.0,6.865332645793856,0.0],[-0.037207884731066,0.0,9.067898755742586]],"pbc":[true,true,true],"a":6.895385069290913,"b":6.865332645793856,"c":9.067975092107615,"alpha":90.0,"beta":107.96253005341012,"gamma":90.0,"volume":408.3465900563958},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Rb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.27918575708083804,0.019589477330768,0.068098609096189],"properties":{"magmom":0.0},"label":"Rb","xyz":[1.8311479919966873,0.13448827823296025,0.031341279863044386]},{"species":[{"element":"Rb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7208152429191581,0.5195884773307711,0.9319023909038081],"properties":{"magmom":0.0},"label":"Rb","xyz":[4.699613921091199,3.5671477357972634,6.93699454151322]},{"species":[{"element":"La","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.774357210611292,0.49072830142552704,0.44789659907934903],"properties":{"magmom":0.0},"label":"La","xyz":[5.069284429850813,3.3690130279916386,2.435663920158522]},{"species":[{"element":"La","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.22564278938870702,0.9907293014255241,0.552104400920647],"properties":{"magmom":0.0},"label":"La","xyz":[1.4614709152738252,6.801686216221192,4.5326740007876305]},{"species":[{"element":"Ti","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.22351536764697502,0.5240649798471391,0.32107328407413804],"properties":{"magmom":0.0},"label":"Ti","xyz":[1.4560942665854912,3.597880414661863,2.442173894456631]},{"species":[{"element":"Ti","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.776485632353022,0.024063979847134,0.6789277159258581],"properties":{"magmom":0.0},"label":"Ti","xyz":[5.074667646502401,0.1652072264322545,4.526161926919624]},{"species":[{"element":"S","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.423917415646322,0.5249093216728651,0.168163274556754],"properties":{"magmom":-0.0},"label":"S","xyz":[2.7780170144978666,3.603677102162229,0.6348433009954582]},{"species":[{"element":"S","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.98671493291004,0.760945255311256,0.27930410448207904],"properties":{"magmom":-0.0},"label":"S","xyz":[6.470315119491779,5.224142302950306,0.46102436582905165]},{"species":[{"element":"S","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.020860820916254002,0.25743296545273603,0.300190528392391],"properties":{"magmom":-0.0},"label":"S","xyz":[0.12584365092096633,1.7673629418261907,2.6782985671537918]},{"species":[{"element":"S","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.576126174274698,0.08316869895970301,0.436478953766929],"properties":{"magmom":-0.0},"label":"S","xyz":[3.7677350912308,0.5709807840762506,2.748329786108901]},{"species":[{"element":"S","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.423873825725301,0.583167698959698,0.5635210462330701],"properties":{"magmom":-0.0},"label":"S","xyz":[2.763020291101723,4.003640241640499,4.219999066938523]},{"species":[{"element":"S","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.979139179083745,0.757431965452738,0.699810471607612],"properties":{"magmom":-0.0},"label":"S","xyz":[6.404911694203672,5.200022399390487,4.290039353792424]},{"species":[{"element":"S","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.01328506708996,0.26094625531125304,0.72069589551792],"properties":{"magmom":-0.0},"label":"S","xyz":[0.060440262840749576,1.7914828453860039,6.50730448721837]},{"species":[{"element":"S","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5760815843536731,0.024910321672869003,0.8318377254432501],"properties":{"magmom":-0.0},"label":"S","xyz":[3.752731762663478,0.17101764459797378,6.333496719520678]}]} | false | -14.584419 | -14.584419 | -1.905912 | 0 | true | -0.015965 | 2.6514 | 4.2206 | 1.5692 | 1.598079 | false | false | false | NM | 0 | 0 | 0 | 0 | 0 | [
"Rb+",
"S2-",
"La3+",
"Ti4+"
] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250077 | Sr2LaAg5S6 | 12 | Monoclinic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.128118017816673,0.0,0.0],[-2.064059008908336,6.890283298150954,-0.6950343809975851],[0.0,-0.128051813039005,11.258478187530217]],"pbc":[true,true,true],"a":4.128118017816673,"b":7.226300319790366,"c":11.259206382597144,"alpha":96.14351595745553,"beta":90.0,"gamma":106.59660014144731,"volume":319.86765313198345},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Sr","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.25469707994759,0.50939415989518,0.7000348029373661],"properties":{"magmom":0.0},"label":"Sr","xyz":[2.220715151550621e-16,3.420229346394863,7.527280104775819]},{"species":[{"element":"Sr","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.74530292005241,0.49060584010481906,0.299965197062633],"properties":{"magmom":0.0},"label":"Sr","xyz":[2.0640590089083384,3.3420021387170795,3.036163701756804]},{"species":[{"element":"La","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.0,0.5],"properties":{"magmom":-0.0},"label":"La","xyz":[2.0640590089083366,-0.0640259065195025,5.629239093765109]},{"species":[{"element":"Ag","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.012043957427259002,0.024087914854526,0.252312812975439],"properties":{"magmom":-0.0},"label":"Ag","xyz":[-1.6497817404675406e-14,0.13366344425494642,2.823916372327933]},{"species":[{"element":"Ag","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.9879560425727401,0.9759120851454731,0.74768718702456],"properties":{"magmom":-0.0},"label":"Ag","xyz":[2.0640590089083513,6.6285680408569965,7.739527434204689]},{"species":[{"element":"Ag","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.34595682557358703,0.6919146511471721,0.034246436272212],"properties":{"magmom":-0.0},"label":"Ag","xyz":[-2.064059004434811e-6,4.7631026462905215,-0.0953417154918923]},{"species":[{"element":"Ag","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.654043174426412,0.308085348852827,0.9657535637277871],"properties":{"magmom":-0.0},"label":"Ag","xyz":[2.0640610729673394,1.9991288388214206,10.658785522024514]},{"species":[{"element":"Ag","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.0],"properties":{"magmom":-0.0},"label":"Ag","xyz":[0.0,0.0,0.0]},{"species":[{"element":"S","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.13558920646015302,0.27117641292029004,0.44477714236528904],"properties":{"magmom":-0.0},"label":"S","xyz":[4.128118050989481e-6,1.811527789318978,4.819036825336429]},{"species":[{"element":"S","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8644107935398461,0.7288235870797091,0.55522285763471],"properties":{"magmom":-0.0},"label":"S","xyz":[2.0640548807902843,4.950703695792965,5.744406981196192]},{"species":[{"element":"S","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.15627511089016302,0.312551221780324,0.11267921388169101],"properties":{"magmom":-0.0},"label":"S","xyz":[-2.0640590046315425e-6,2.139137685620281,1.0513626267149438]},{"species":[{"element":"S","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8437248891098361,0.6874487782196751,0.8873207861183091],"properties":{"magmom":-0.0},"label":"S","xyz":[2.06406107296734,4.623093799491662,9.51208117981769]},{"species":[{"element":"S","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.40051246025445403,0.801023920508903,0.260325938728314],"properties":{"magmom":-0.0},"label":"S","xyz":[2.0640590197125694e-6,5.4859465324666505,2.374134738065887]},{"species":[{"element":"S","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.599487539745545,0.19897607949109603,0.7396740612716851],"properties":{"magmom":-0.0},"label":"S","xyz":[2.0640569448493156,1.2762849526452922,8.189309068466736]}]} | false | -16.569389 | -16.569389 | -1.210838 | 0 | true | -0.004773 | 1.7155 | 6.3755 | 4.66 | 4.686284 | false | false | false | NM | 0 | 0 | 0 | 0 | 0 | [
"Sr2+",
"Ag+",
"La3+",
"S2-"
] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250078 | Ho8Tm2Os3Ru | 1 | Triclinic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.825802656903523,0.0011729832217750001,-2.376734132923403],[-0.37003156353534,7.212686159324037,-0.881133593258222],[0.006704420164505001,0.015933993560456,8.3483803172847]],"pbc":[true,true,true],"a":6.291966553604441,"b":7.275724115171292,"c":8.348398215431935,"alpha":96.8490771338371,"beta":112.14775130635356,"gamma":90.06639682086356,"volume":351.01067673380635},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Ho","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.79484139410497,0.08462013466503,0.8178120448206481],"properties":{"magmom":-0.0},"label":"Ho","xyz":[4.604759940421033,0.624301821573691,4.863717663269955]},{"species":[{"element":"Ho","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.9749885925674201,0.41551776341109503,0.18246773748293002],"properties":{"magmom":0.0},"label":"Ho","xyz":[5.52755978573674,3.0010503061230325,-1.1601052589610095]},{"species":[{"element":"Ho","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.207982553306642,0.9159715620266121,0.185671449848598],"properties":{"magmom":-0.0},"label":"Ho","xyz":[0.8739717418051364,6.609817855495463,0.24864333013043666]},{"species":[{"element":"Ho","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.025065769011497003,0.58619575857363,0.8184047533127551],"properties":{"magmom":0.0},"label":"Ho","xyz":[-0.065395780047439,4.2411158923141,6.2562626902461345]},{"species":[{"element":"Ho","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.205747628405397,0.182900205019038,0.5671275636824541],"properties":{"magmom":0.0},"label":"Ho","xyz":[1.134768492855431,1.328479722742057,4.084429663980987]},{"species":[{"element":"Ho","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.640952362931123,0.317944625229237,0.43402256780431203],"properties":{"magmom":0.0},"label":"Ho","xyz":[3.6193223017769323,2.3009023369905472,1.8198604136731975]},{"species":[{"element":"Ho","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.792361283014081,0.816359204373974,0.43232253648088204],"properties":{"magmom":-0.0},"label":"Ho","xyz":[4.316960266941102,5.895960785427832,1.0066393281895825]},{"species":[{"element":"Ho","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.36039895949127004,0.681069104425787,0.5655809718188181],"properties":{"magmom":0.0},"label":"Ho","xyz":[1.8513880426353408,4.921772408530598,3.2649996772301404]},{"species":[{"element":"Tm","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.42251879438028006,0.25009587461737204,0.00031293899878900004],"properties":{"magmom":0.0},"label":"Tm","xyz":[2.368969845448438,1.8043636471814435,-1.2219701832879182]},{"species":[{"element":"Tm","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.578265782308378,0.749924858298179,0.00007387834197910001],"properties":{"magmom":0.0},"label":"Tm","xyz":[3.091366958429895,5.409652119217715,-2.034551243283862]},{"species":[{"element":"Os","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.604305259709015,0.422135511174474,0.7815566787149351],"properties":{"magmom":-0.0},"label":"Os","xyz":[3.369599608726353,3.05789311782355,4.716501676167548]},{"species":[{"element":"Os","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.821619286341537,0.07717622320466601,0.21848097672719202],"properties":{"magmom":0.0},"label":"Os","xyz":[4.759498971057458,0.5610928970510157,-0.19681087917209722]},{"species":[{"element":"Os","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.395291243259762,0.5777938590579761,0.217336211274123],"properties":{"magmom":-0.0},"label":"Os","xyz":[2.0905439234424206,4.171372473956842,0.3657895789386241]},{"species":[{"element":"Ru","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.175662091168611,0.9222963159229061,0.7788306906915701],"properties":{"magmom":0.0},"label":"Ru","xyz":[0.6873155378108939,6.664849804548502,5.271806453827641]}]} | false | -37.351951 | -37.351951 | -0.375303 | 0 | true | -0.000339 | 0 | null | null | 4.010471 | false | true | false | NM | 0.00006 | 0 | 0.00006 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250079 | RbErB12 | 123 | Tetragonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.164184037417709,0.0,0.0],[0.0,4.164184037417709,0.0],[0.0,0.0,8.357539366210164]],"pbc":[true,true,true],"a":4.164184037417709,"b":4.164184037417709,"c":8.357539366210164,"alpha":90.0,"beta":90.0,"gamma":90.0,"volume":144.9233154661867},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Rb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.5],"properties":{"magmom":-0.0},"label":"Rb","xyz":[0.0,0.0,4.178769683105082]},{"species":[{"element":"Er","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.0],"properties":{"magmom":0.0},"label":"Er","xyz":[0.0,0.0,0.0]},{"species":[{"element":"B","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.20209567619615101,0.5,0.24222951014225902],"properties":{"magmom":0.0},"label":"B","xyz":[0.84156358884715,2.0820920187088543,2.024442666671734]},{"species":[{"element":"B","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.20209567619615101,0.5,0.7577704898577401],"properties":{"magmom":0.0},"label":"B","xyz":[0.84156358884715,2.0820920187088543,6.333096699538422]},{"species":[{"element":"B","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.5,0.394480459306194],"properties":{"magmom":0.0},"label":"B","xyz":[2.0820920187088543,2.0820920187088543,3.296885967852183]},{"species":[{"element":"B","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.5,0.9027418051067141],"properties":{"magmom":-0.0},"label":"B","xyz":[2.0820920187088543,2.0820920187088543,7.544700173702986]},{"species":[{"element":"B","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.20209567619615101,0.24222951014225902],"properties":{"magmom":0.0},"label":"B","xyz":[2.0820920187088543,0.84156358884715,2.024442666671734]},{"species":[{"element":"B","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.20209567619615101,0.7577704898577401],"properties":{"magmom":0.0},"label":"B","xyz":[2.0820920187088543,0.84156358884715,6.333096699538422]},{"species":[{"element":"B","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.5,0.09725819489328501],"properties":{"magmom":-0.0},"label":"B","xyz":[2.0820920187088543,2.0820920187088543,0.8128391925071697]},{"species":[{"element":"B","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.5,0.6055195406938051],"properties":{"magmom":0.0},"label":"B","xyz":[2.0820920187088543,2.0820920187088543,5.060653398357974]},{"species":[{"element":"B","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.797904323803848,0.24222951014225902],"properties":{"magmom":0.0},"label":"B","xyz":[2.0820920187088543,3.3226204485705546,2.024442666671734]},{"species":[{"element":"B","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.797904323803848,0.7577704898577401],"properties":{"magmom":0.0},"label":"B","xyz":[2.0820920187088543,3.3226204485705546,6.333096699538422]},{"species":[{"element":"B","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.797904323803848,0.5,0.24222951014225902],"properties":{"magmom":0.0},"label":"B","xyz":[3.3226204485705546,2.0820920187088543,2.024442666671734]},{"species":[{"element":"B","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.797904323803848,0.5,0.7577704898577401],"properties":{"magmom":0.0},"label":"B","xyz":[3.3226204485705546,2.0820920187088543,6.333096699538422]}]} | false | -10.012582 | -10.012582 | -0.2974 | 0 | true | -0.050911 | 0.026 | 4.2096 | 4.1836 | 4.196692 | true | false | false | NM | 0 | 0 | 0 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250080 | Pr3RhAu3 | 148 | Trigonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[7.548078177490303,-0.013679318775156001,-3.400049493903418],[-5.256594267510576,5.416816613315069,-3.400049193107826],[-0.005801880294406,-0.013679015750332,8.278515495156155]],"pbc":[true,true,true],"a":8.278526913543276,"b":8.278527648746747,"c":8.278528829497871,"alpha":114.28919590661555,"beta":114.28920721681229,"gamma":114.28919160247236,"volume":337.18203884130094},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Pr","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.39474921846009803,0.041864586430840005,0.28086763856824604],"properties":{"magmom":0.0},"label":"Pr","xyz":[2.7579032559784182,0.21753089404084577,0.8406585642171469]},{"species":[{"element":"Pr","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.041864586432119,0.28086763856939,0.394749218462628],"properties":{"magmom":0.0},"label":"Pr","xyz":[-1.1627003352869842,1.5154360309452675,2.170632067944691]},{"species":[{"element":"Pr","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.28086763856873603,0.3947492184611,0.041864586430428],"properties":{"magmom":0.0},"label":"Pr","xyz":[0.04473152125796761,2.133869380354456,-1.9505540066154847]},{"species":[{"element":"Pr","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6052507815399011,0.9581354135691591,0.7191323614317541],"properties":{"magmom":0.0},"label":"Pr","xyz":[-0.47222122629309915,5.17192738474873,0.637758243927771]},{"species":[{"element":"Pr","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.9581354135678801,0.71913236143061,0.605250781537371],"properties":{"magmom":0.0},"label":"Pr","xyz":[3.4483823649722987,3.8740222478443136,-0.6922152597997854]},{"species":[{"element":"Pr","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.719132361431263,0.605250781538899,0.9581354135695711],"properties":{"magmom":0.0},"label":"Pr","xyz":[2.2409505084273507,3.2555888984351196,3.428970814760395]},{"species":[{"element":"Rh","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.0],"properties":{"magmom":-0.0},"label":"Rh","xyz":[0.0,0.0,0.0]},{"species":[{"element":"Rh","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.5,0.5],"properties":{"magmom":-0.0},"label":"Rh","xyz":[1.1428410148426602,2.69472913939479,0.7392084040724556]},{"species":[{"element":"Au","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.22171196367305102,0.054779282130361005,0.558172395317669],"properties":{"magmom":-0.0},"label":"Au","xyz":[1.382308324843004,0.28606120789491235,3.6807549197205]},{"species":[{"element":"Au","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.05477928212970801,0.558172395318095,0.22171196367311502],"properties":{"magmom":-0.0},"label":"Au","xyz":[-2.5218938557629813,3.019735359347275,-0.24861994606847662]},{"species":[{"element":"Au","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5581723953204111,0.22171196367515403,0.054779282132791006],"properties":{"magmom":-0.0},"label":"Au","xyz":[3.0473612162646098,1.1925883034161149,-2.19815421746624]},{"species":[{"element":"Au","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7782880363269481,0.9452207178696381,0.44182760468233],"properties":{"magmom":-0.0},"label":"Au","xyz":[0.9033737048423147,5.103397070894664,-2.2023381115755907]},{"species":[{"element":"Au","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.945220717870292,0.441827604681904,0.778288036326884],"properties":{"magmom":-0.0},"label":"Au","xyz":[4.8075758854483075,2.3697229194423004,1.7270367542133827]},{"species":[{"element":"Au","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.44182760467958804,0.7782880363248451,0.9452207178672081],"properties":{"magmom":-0.0},"label":"Au","xyz":[-0.7616791865792911,4.1968699753734615,3.6765710256111492]}]} | false | -38.590359 | -38.590359 | -0.861362 | 0 | true | -0.011636 | 0 | null | null | 6.292313 | false | true | false | NM | 0.000004 | 0 | 0.000002 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250081 | Y7Ho3Ru3Rh | 1 | Triclinic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.899797951967168,-0.004745950530556001,-2.399226517057013],[-0.356976817936069,7.1909642103241564,-0.8530742625805121],[-0.01892164475349,0.008371857640717,8.527634747774655]],"pbc":[true,true,true],"a":6.3689815730799495,"b":7.250181681874183,"c":8.527659849460123,"alpha":96.69471694749691,"beta":112.25689001317096,"gamma":90.11601623316503,"volume":361.4952470014587},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Y","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.979151657624974,0.914842675399505,0.184695136690947],"properties":{"magmom":0.001},"label":"Y","xyz":[5.44672458138068,6.57550017293735,-1.5546226964970735]},{"species":[{"element":"Y","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.790666023611798,0.586805353545173,0.809488439676712],"properties":{"magmom":0.001},"label":"Y","xyz":[4.439977026250886,4.222720755914479,4.50544631186972]},{"species":[{"element":"Y","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.020940250238084,0.08737564872672,0.8133191422237821],"properties":{"magmom":0.001},"label":"Y","xyz":[0.07696282854039213,0.6350247735311392,6.81091025750774]},{"species":[{"element":"Y","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.21047765230773702,0.41227181302265503,0.185947103556863],"properties":{"magmom":0.001},"label":"Y","xyz":[1.0910857170460397,2.9651896585254063,0.7290069439978961]},{"species":[{"element":"Y","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.64206590498486,0.8172982530635761,0.43460678235821604],"properties":{"magmom":0.001},"label":"Y","xyz":[3.488079106431041,5.877753740029809,1.4684902493780245]},{"species":[{"element":"Y","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.212084364112008,0.684631926265694,0.568762495438193],"properties":{"magmom":0.001},"label":"Y","xyz":[0.996095248648725,4.9269187357647,3.757318513460872]},{"species":[{"element":"Y","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.35549063956852905,0.18524763691224402,0.5665328764101001],"properties":{"magmom":0.001},"label":"Y","xyz":[2.020474101486192,1.335164918683694,3.820252882359427]},{"species":[{"element":"Ho","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.788774290051613,0.314073964203935,0.433866135723704],"properties":{"magmom":0.002},"label":"Ho","xyz":[4.533282355782042,2.2583834177481745,1.5394753268065136]},{"species":[{"element":"Ho","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.421241065682451,0.7499297268520301,0.999393242453784],"properties":{"magmom":0.001},"label":"Ho","xyz":[2.198619485127739,5.399085414744869,6.872062057459878]},{"species":[{"element":"Ho","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5774229321781871,0.24847992118803502,0.9989334072217271],"properties":{"magmom":0.001},"label":"Ho","xyz":[3.299075598033192,1.7924327278538172,6.921198998164663]},{"species":[{"element":"Ru","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.606167367903935,0.9252811241705531,0.784122441204495],"properties":{"magmom":0.0},"label":"Ru","xyz":[3.2311241980305407,6.657351169508296,4.443043440594105]},{"species":[{"element":"Ru","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.17447434776748502,0.42631270549347905,0.7790557026552271],"properties":{"magmom":-0.0},"label":"Ru","xyz":[0.8624386313278142,3.071293504423533,5.861222601837184]},{"species":[{"element":"Ru","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.400127234274236,0.075113963922568,0.21924443495825502],"properties":{"magmom":0.001},"label":"Ru","xyz":[2.329707428161322,0.5400783254009627,0.8455628017560614]},{"species":[{"element":"Rh","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.82091526969409,0.57233328723381,0.222033659427978],"properties":{"magmom":0.0},"label":"Rh","xyz":[4.634723269177138,4.113590995803936,-0.5643825309507441]}]} | false | -24.797099 | -24.797099 | -0.422165 | 0 | true | -0.002587 | 0 | null | null | 4.610125 | false | true | false | NM | 0.023801 | 0.000066 | 0.023801 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250082 | Yb6Ho3ErRu4 | 5 | Monoclinic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.826344359112808,4.3993511e-9,-2.350794372755216],[-0.35819678834513,7.138819945361182,-0.8877748710291111],[-0.00241110705698,0.00403695396399,8.389598312233902]],"pbc":[true,true,true],"a":6.28271619396764,"b":7.202721664280673,"c":8.389599629962833,"alpha":97.0516620477327,"beta":111.9893928856657,"gamma":90.00000206978457,"volume":348.9342535988534},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Yb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7957123276345821,0.5775917810383221,0.825334825102025],"properties":{"magmom":0.0},"label":"Yb","xyz":[4.427212540026625,4.126655568947495,4.540900124649711]},{"species":[{"element":"Yb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.970377502532876,0.9224082189619051,0.174665174898216],"properties":{"magmom":0.0},"label":"Yb","xyz":[5.322928690081285,6.58561131082954,-1.6346781534955306]},{"species":[{"element":"Yb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.20058587895989102,0.41597985367467705,0.18141319128854802],"properties":{"magmom":0.0},"label":"Yb","xyz":[1.0192423501673538,2.9703376338653507,0.6811511869915529]},{"species":[{"element":"Yb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.019172687671407,0.08402014632573401,0.8185868087115431],"properties":{"magmom":0.0},"label":"Yb","xyz":[0.07963723366193291,0.6031092937489604,6.747952487926586]},{"species":[{"element":"Yb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.21084156282101602,0.6827503561968841,0.5631974014593121],"properties":{"magmom":0.0},"label":"Yb","xyz":[0.9825186361484066,4.876305463430664,3.623226199897236]},{"species":[{"element":"Yb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6476441613611851,0.8172496438026751,0.43680259854039605],"properties":{"magmom":0.0},"label":"Yb","xyz":[3.479608530744918,5.8359614123487304,1.4165863962927376]},{"species":[{"element":"Ho","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.801759636791736,0.32217877124782,0.42926249837711306],"properties":{"magmom":0.0},"label":"Ho","xyz":[4.5548893382127815,2.3017091546275332,1.4305456723248062]},{"species":[{"element":"Ho","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.372497138415163,0.17782122875210102,0.570737501622929],"properties":{"magmom":0.0},"label":"Ho","xyz":[2.105225498934414,1.2717377771824523,3.754728985068899]},{"species":[{"element":"Ho","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.42389204360492905,0.750000000000248,1.279e-13],"properties":{"magmom":0.0},"label":"Ho","xyz":[2.201093425871442,5.354114960887508,-1.6623141840331566]},{"species":[{"element":"Er","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5600969637788891,0.250000000000177,0.99999999999995],"properties":{"magmom":0.0},"label":"Er","xyz":[3.1713574813260155,1.7887419427696123,6.850981803827353]},{"species":[{"element":"Ru","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6003794610674831,0.9298613032990771,0.7885992968082071],"properties":{"magmom":-0.0},"label":"Ru","xyz":[3.163042756539908,6.641295960109525,4.379155172324428]},{"species":[{"element":"Ru","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.81177916425922,0.570138696700624,0.211400703192438],"properties":{"magmom":-0.0},"label":"Ru","xyz":[4.524973394730256,4.070970918106688,-0.6409137164842709]},{"species":[{"element":"Ru","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.410281132238537,0.07894995181077001,0.23530379337513802],"properties":{"magmom":0.0},"label":"Ru","xyz":[2.3615921986530544,0.5645594030584076,0.9395279475617403]},{"species":[{"element":"Ru","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.174978338863084,0.421050048188981,0.764696206624073],"properties":{"magmom":0.0},"label":"Ru","xyz":[0.8668215181877665,3.0088875261591546,5.630358257883824]}]} | false | -32.801351 | -32.801351 | -0.412503 | 0 | true | -0.016325 | 0 | null | null | 4.133818 | false | true | false | NM | 0.000686 | 0.000002 | 0.000686 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250083 | Yb3SmSb3 | 9 | Monoclinic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[7.649700168002492,-0.010744916426163001,2.700293633881091],[-3.778908308784807,6.651157163176918,2.700293632156394],[0.006165798774619,0.010578021314150001,8.14869688070597]],"pbc":[true,true,true],"a":8.112312483055932,"b":8.11231319139904,"c":8.148706079202798,"alpha":70.51408942919988,"beta":70.51409062678695,"gamma":109.24131320929123,"volume":413.8322350669456},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Yb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0017448035145120001,0.360101216340311,0.49467815242559204],"properties":{"magmom":-0.001},"label":"Yb","xyz":[-1.3443921687477662,2.4003037528026394,5.008072820861938]},{"species":[{"element":"Yb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.49607899306933906,0.49492397358848406,0.147684731004844],"properties":{"magmom":-0.001},"label":"Yb","xyz":[1.925493834948175,3.2880490170720678,3.8794371080368735]},{"species":[{"element":"Yb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6441040950142131,0.147823293457854,0.35767665471320903],"properties":{"magmom":-0.001},"label":"Yb","xyz":[4.37079789424084,0.9800586237730623,5.053035125895122]},{"species":[{"element":"Yb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.360101216340368,0.0017448035145120001,0.9946781524255781],"properties":{"magmom":-0.001},"label":"Yb","xyz":[2.7542058679719945,0.018257431616422962,9.08242126183302]},{"species":[{"element":"Yb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.494923973588456,0.49607899306933206,0.647684731004851],"properties":{"magmom":-0.001},"label":"Yb","xyz":[1.9153764689055426,3.301032654410587,7.953785548387829]},{"species":[{"element":"Yb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.147823293457854,0.644104095014228,0.8576766547132091],"properties":{"magmom":-0.001},"label":"Yb","xyz":[-1.2979181819057077,4.2915217383856294,9.127383565392215]},{"species":[{"element":"Sm","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8546197239958171,0.9998993298498031,1.4845060079e-6],"properties":{"magmom":-0.0},"label":"Sm","xyz":[2.7590567698644293,6.641304788378969,5.007758090075465]},{"species":[{"element":"Sm","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.999899329849782,0.8546197239957891,0.500001484506022],"properties":{"magmom":-0.0},"label":"Sm","xyz":[4.422483404218866,5.678755290673272,9.082106530678995]},{"species":[{"element":"Sb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.627789310150426,0.8728703789412641,0.7511334651112871],"properties":{"magmom":0.0},"label":"Sb","xyz":[1.508534201653356,5.806798035553053,10.172980727717043]},{"species":[{"element":"Sb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8728703789412431,0.6277893101505041,0.25113346511128704],"properties":{"magmom":0.0},"label":"Sb","xyz":[4.306386882548653,4.168802943047468,6.098632287786902]},{"species":[{"element":"Sb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.24606749923273702,0.12218722284276101,0.626238155880649],"properties":{"magmom":0.0},"label":"Sb","xyz":[1.4244695370469198,0.8166668083055131,6.097420788860085]},{"species":[{"element":"Sb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7545585750065551,0.37723158499589704,0.8725863563584111],"properties":{"magmom":0.0},"label":"Sb","xyz":[4.352003479005091,2.5101491269709486,10.166607483497645]},{"species":[{"element":"Sb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.37723158499591103,0.7545585750065911,0.37258635635840404],"properties":{"magmom":0.0},"label":"Sb","xyz":[0.036598143061310415,5.018575575756486,6.092259042493962]},{"species":[{"element":"Sb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.122187222842789,0.24606749923265103,0.126238155880656],"properties":{"magmom":0.0},"label":"Sb","xyz":[0.005607460802915955,1.6366560685520515,2.023072348293345]}]} | false | -31.941626 | -31.941626 | -1.021625 | 0.120915 | false | null | 0 | null | null | 5.086092 | false | true | false | NM | 0.00446 | 0.000011 | 0.00223 | 0 | 0 | [
"Sm3+",
"Sb3-",
"Yb2+"
] | true | null | null | null | null | null | null | null | false | false | false | true | true |
mp-3250084 | SmEr2As4Pd7 | 12 | Monoclinic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[6.647466106188463,-0.016510599255328003,4.52487574735269],[5.400249670914706,3.876388330834748,4.524875748356227],[-0.0015889954756330002,-0.000509419611987,9.602117772073578]],"pbc":[true,true,true],"a":8.041366722255162,"b":8.041367019214364,"c":9.602117917063204,"alpha":55.76676070566869,"beta":55.76675810977066,"gamma":29.449290520836467,"volume":248.31591025104856},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Sm","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.5,0.5],"properties":{"magmom":0.0},"label":"Sm","xyz":[6.023063390813768,1.9296841559837166,9.325934633891247]},{"species":[{"element":"Er","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.821970278696838,0.821970278696966,0.17049015114388702],"properties":{"magmom":-0.0},"label":"Er","xyz":[9.902593386887668,3.1726179237359076,9.075693269327793]},{"species":[{"element":"Er","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.17802972130316103,0.17802972130303302,0.8295098488561121],"properties":{"magmom":-0.0},"label":"Er","xyz":[2.1435333947398565,0.6867503882315216,9.576175998454685]},{"species":[{"element":"As","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.392705473772657,0.392705473772672,0.319270678513675],"properties":{"magmom":0.0},"label":"As","xyz":[4.730696612462035,1.5156324705393156,6.619561604905399]},{"species":[{"element":"As","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.607294526227342,0.607294526227327,0.680729321486325],"properties":{"magmom":0.0},"label":"As","xyz":[7.315430169165489,2.3437358414281135,12.03230766287709]},{"species":[{"element":"As","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8395198988015691,0.8395198988015481,0.753079431078099],"properties":{"magmom":-0.0},"label":"As","xyz":[10.113100490174832,3.240060529170328,14.828603848794877]},{"species":[{"element":"As","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.16048010119843,0.16048010119845202,0.246920568921901],"properties":{"magmom":-0.0},"label":"As","xyz":[1.9330262914526994,0.6193077827971053,3.8232654189876145]},{"species":[{"element":"Pd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6672811386745391,0.667281138674212,0.068436772225979],"properties":{"magmom":-0.0},"label":"Pd","xyz":[8.039104756449412,2.5755887448375914,6.695866429631204]},{"species":[{"element":"Pd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.012852390579126,0.012852390579290001,0.201767143515688],"properties":{"magmom":0.0},"label":"Pd","xyz":[0.15452134167633627,0.049505872054603814,2.053702815440131]},{"species":[{"element":"Pd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.9871476094208731,0.9871476094207091,0.7982328564843111],"properties":{"magmom":0.0},"label":"Pd","xyz":[11.891605439951187,3.8098624399128256,16.598166452342348]},{"species":[{"element":"Pd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.5,0.0],"properties":{"magmom":0.0},"label":"Pd","xyz":[6.023857888551584,1.92993886578971,4.524875747854459]},{"species":[{"element":"Pd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.193243037632463,0.19324303763227801,0.47551858940607805],"properties":{"magmom":-0.0},"label":"Pd","xyz":[2.327381596411821,0.7456522592442829,6.314786967136341]},{"species":[{"element":"Pd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.806756962367536,0.8067569623677211,0.5244814105939211],"properties":{"magmom":-0.0},"label":"Pd","xyz":[9.718745185215704,3.113716052723147,12.337082300646138]},{"species":[{"element":"Pd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33271886132546,0.33271886132578704,0.9315632277740201],"properties":{"magmom":-0.0},"label":"Pd","xyz":[4.007022025178113,1.283779567129838,11.956002838151274]}]} | false | -23.650521 | -23.650521 | -0.997872 | 0 | true | -0.011327 | 0 | null | null | 7.60245 | false | true | false | NM | 0.000001 | 0 | 0.000001 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250085 | Sm2PaP4Pd7 | 12 | Monoclinic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[6.563208991384197,-0.0035342035701530004,4.545196953848533],[5.316878209223758,3.847926185680279,4.545196953294822],[0.039947529442823,0.012927382342218002,9.433498030946561]],"pbc":[true,true,true],"a":7.983391516420527,"b":7.983391833450426,"c":9.433591469964949,"alpha":55.053825989572914,"beta":55.05382575482888,"gamma":29.373279797184207,"volume":237.6453009547907},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Sm","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6818058253815451,0.6818058253816941,0.319635619504474],"properties":{"magmom":0.0},"label":"Sm","xyz":[8.112681312737159,2.625260900316888,9.213165508119761]},{"species":[{"element":"Sm","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.318194174618454,0.318194174618305,0.6803643804955251],"properties":{"magmom":0.0},"label":"Sm","xyz":[3.8073534173136094,1.2320584641354524,9.310726429970138]},{"species":[{"element":"Pa","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.0],"properties":{"magmom":0.0},"label":"Pa","xyz":[0.0,0.0,0.0]},{"species":[{"element":"P","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.349450862762665,0.34945086276206105,0.240238610779741],"properties":{"magmom":-0.0},"label":"P","xyz":[4.161103660922359,1.3465317513188444,5.442936455448998]},{"species":[{"element":"P","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6505491372373341,0.6505491372379381,0.759761389220258],"properties":{"magmom":-0.0},"label":"P","xyz":[7.758931069128408,2.510787613133496,13.080955482640903]},{"species":[{"element":"P","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.897534367198332,0.8975343671978201,0.8236687361036841],"properties":{"magmom":0.0},"label":"P","xyz":[10.69569007894258,3.461121805598527,15.929018343215505]},{"species":[{"element":"P","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.10246563280166701,0.102465632802179,0.176331263896315],"properties":{"magmom":0.0},"label":"P","xyz":[1.2243446511081895,0.3961975588538133,2.5948735948743953]},{"species":[{"element":"Pd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.30642749576585904,0.30642749576662,0.025631551522273],"properties":{"magmom":0.0},"label":"Pd","xyz":[3.641409287525477,1.1783587566898337,3.0273418313100877]},{"species":[{"element":"Pd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6935725042341401,0.69357250423338,0.9743684484777261],"properties":{"magmom":0.0},"label":"Pd","xyz":[8.278625442525295,2.67896060776251,15.496550106779816]},{"species":[{"element":"Pd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5104747183786881,0.5104747183792351,0.709992894441967],"properties":{"magmom":0.0},"label":"Pd","xyz":[6.092846630102427,1.971643264013767,11.338132841407178]},{"species":[{"element":"Pd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.831621485733094,0.8316214857331651,0.423728749268505],"properties":{"magmom":-0.0},"label":"Pd","xyz":[9.896662685095853,3.2025566754542742,11.557011208837837]},{"species":[{"element":"Pd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.48952528162131104,0.48952528162076403,0.290007105558032],"properties":{"magmom":0.0},"label":"Pd","xyz":[5.827188099948341,1.8856761004385734,7.185759096682721]},{"species":[{"element":"Pd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.168378514266905,0.168378514266834,0.5762712507314941],"properties":{"magmom":-0.0},"label":"Pd","xyz":[2.0233720449549133,0.654762688998066,6.966880729252063]},{"species":[{"element":"Pd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.5],"properties":{"magmom":0.0},"label":"Pd","xyz":[0.0199737647214115,0.006463691171109001,4.7167490154732805]}]} | false | -24.815671 | -24.815671 | -1.026146 | 0 | true | -0.026786 | 0 | null | null | 9.276612 | false | true | false | NM | 0.000018 | 0 | 0.000018 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250086 | SrAcC12 | 187 | Hexagonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.320069955382214,-2.2989626e-9,0.0],[-2.160034481572898,3.741291003887264,0.0],[0.0,0.0,10.021147998175673]],"pbc":[true,true,true],"a":4.320069955382214,"b":4.320070293103073,"c":10.021147998175673,"alpha":90.0,"beta":90.0,"gamma":119.99998984671397,"volume":161.96819600971827},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Sr","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.25],"properties":{"magmom":0.0},"label":"Sr","xyz":[-1.8292893177975034e-6,2.4941952489221757,2.505286999543918]},{"species":[{"element":"Ac","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.75],"properties":{"magmom":0.001},"label":"Ac","xyz":[2.1600373030986324,1.2470957526661224,7.515860998631755]},{"species":[{"element":"C","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.333664747499653,0.33345382403619,0.49722289544882803],"properties":{"magmom":0.0},"label":"C","xyz":[0.7211832929129318,1.2475477913113218,4.982744223374135]},{"species":[{"element":"C","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666546175963702,0.00021092346344100003,0.49722289544882803],"properties":{"magmom":0.0},"label":"C","xyz":[2.8790705067016904,0.0007891245239158279,4.982744223374135]},{"species":[{"element":"C","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.9997890765366361,0.6663352525003741,0.49722289544882803],"properties":{"magmom":0.0},"label":"C","xyz":[2.879851629576859,2.4929540834541206,4.982744223374135]},{"species":[{"element":"C","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6665461759637951,0.666335252500388,0.49722289544882803],"properties":{"magmom":0.0},"label":"C","xyz":[1.4402189869676758,2.492954084220286,4.982744223374135]},{"species":[{"element":"C","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.999789076536522,0.333453824036247,0.49722289544882803],"properties":{"magmom":0.0},"label":"C","xyz":[3.5988869933341228,1.2475477897801401,4.982744223374135]},{"species":[{"element":"C","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.333664747499675,0.00021092346337000002,0.49722289544882803],"properties":{"magmom":0.0},"label":"C","xyz":[1.440999448889687,0.0007891252889321506,4.982744223374135]},{"species":[{"element":"C","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6665461759637951,0.666335252500388,0.002777104551171],"properties":{"magmom":0.0},"label":"C","xyz":[1.4402189869676758,2.492954084220286,0.02782977571369182]},{"species":[{"element":"C","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.333664747499675,0.00021092346337000002,0.002777104551171],"properties":{"magmom":0.0},"label":"C","xyz":[1.440999448889687,0.0007891252889321506,0.02782977571369182]},{"species":[{"element":"C","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.999789076536522,0.333453824036247,0.002777104551171],"properties":{"magmom":0.0},"label":"C","xyz":[3.5988869933341228,1.2475477897801401,0.02782977571369182]},{"species":[{"element":"C","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.333664747499653,0.33345382403619,0.002777104551171],"properties":{"magmom":0.0},"label":"C","xyz":[0.7211832929129318,1.2475477913113218,0.02782977571369182]},{"species":[{"element":"C","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.9997890765366361,0.6663352525003741,0.002777104551171],"properties":{"magmom":0.0},"label":"C","xyz":[2.879851629576859,2.4929540834541206,0.02782977571369182]},{"species":[{"element":"C","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666546175963702,0.00021092346344100003,0.002777104551171],"properties":{"magmom":0.0},"label":"C","xyz":[2.8790705067016904,0.0007891245239158279,0.02782977571369182]}]} | false | -14.60452 | -14.60452 | -0.093809 | 0 | true | -0.001069 | 0 | null | null | 6.990365 | false | true | false | NM | 0.00568 | 0.000035 | 0.00568 | 0 | 0 | [
"Sr2+",
"Ac3+",
"C0.42-"
] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250087 | Dy5Ho(RuBr3)2 | 6 | Monoclinic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.092665857222705,0.0,0.0],[0.0,8.353249959891809,0.419567299907102],[0.0,-0.210344644345713,11.793092935800441]],"pbc":[true,true,true],"a":4.092665857222705,"b":8.363780342140977,"c":11.794968667267888,"alpha":88.1463962132134,"beta":90.0,"gamma":90.0,"volume":403.53237953220133},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Dy","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.25,0.268751442550268,0.39459807529211505],"properties":{"magmom":0.0},"label":"Dy","xyz":[1.0231664643056761,2.161946384897069,4.766291091304847]},{"species":[{"element":"Dy","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.75,0.731212575629797,0.605076839585699],"properties":{"magmom":-0.0},"label":"Dy","xyz":[3.0694993929170282,5.980726745427506,7.442520288549676]},{"species":[{"element":"Dy","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.25,0.8591904783076311,0.36289396446180405],"properties":{"magmom":0.0},"label":"Dy","xyz":[1.0231664643056761,7.100700026572719,4.640130477828542]},{"species":[{"element":"Dy","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.75,0.140922720336178,0.636867346259755],"properties":{"magmom":-0.0},"label":"Dy","xyz":[3.0694993929170282,1.0432010725516172,7.569762367484905]},{"species":[{"element":"Dy","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.25,0.8974538276886,0.828834331353107],"properties":{"magmom":-0.0},"label":"Dy","xyz":[1.0231664643056761,7.322315287494562,10.151062577303808]},{"species":[{"element":"Ho","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.75,0.102758871899538,0.172168971060457],"properties":{"magmom":0.0},"label":"Ho","xyz":[3.0694993929170282,0.8221557215882641,2.073518938801495]},{"species":[{"element":"Ru","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.25,0.9474521082026681,0.5967587678521511],"properties":{"magmom":-0.0},"label":"Ru","xyz":[1.0231664643056761,7.7887792740593005,7.435151532364063]},{"species":[{"element":"Ru","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.75,0.05268116795834701,0.40304050282733],"properties":{"magmom":-0.0},"label":"Ru","xyz":[3.0694993929170282,0.3552815529109837,4.775197402130679]},{"species":[{"element":"Br","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.25,0.433505751719295,0.629389921480317],"properties":{"magmom":0.0},"label":"Br","xyz":[1.0231664643056761,3.488793103973516,7.604338674616584]},{"species":[{"element":"Br","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.75,0.5664976881760211,0.37021225600845004],"properties":{"magmom":-0.0},"label":"Br","xyz":[3.0694993929170282,4.654224625712629,4.603631446511625]},{"species":[{"element":"Br","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.25,0.8668854990415721,0.09962083163382801],"properties":{"magmom":-0.0},"label":"Br","xyz":[1.0231664643056761,7.220356551700361,1.5385545339609552]},{"species":[{"element":"Br","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.75,0.13438444235421002,0.9009933192909401],"properties":{"magmom":-0.0},"label":"Br","xyz":[3.0694993929170282,0.9330277184012717,10.681881266561454]},{"species":[{"element":"Br","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.25,0.342328228449623,0.140601280480794],"properties":{"magmom":-0.0},"label":"Br","xyz":[1.0231664643056761,2.829978534229363,1.8017536980951383]},{"species":[{"element":"Br","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.75,0.6559731976862431,0.8589445924132441],"properties":{"magmom":-0.0},"label":"Br","xyz":[3.0694993929170282,5.298833692458874,10.404838308397263]}]} | false | -24.537889 | -24.537889 | -1.452696 | 0 | true | -0.099528 | 0.0412 | 4.0642 | 4.023 | 4.044961 | false | false | false | NM | 0 | 0 | 0 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250088 | Yb9YIr4 | 5 | Monoclinic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.83800610294046,-5.0090823e-9,-2.423091961929441],[-0.346217568894634,7.328348011600672,-0.8341510994081721],[0.027691648353143004,-0.08245165497982601,8.311078915406748]],"pbc":[true,true,true],"a":6.320893126286594,"b":7.383790303142871,"c":8.31153402452977,"alpha":97.0633261344955,"beta":112.34906234528864,"gamma":89.99999446692118,"volume":355.59343039874307},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Yb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.9658985071252381,0.9195922720306341,0.17066130202992003],"properties":{"magmom":-0.0},"label":"Yb","xyz":[5.3252682713847825,6.725020886587398,-1.6891602643996924]},{"species":[{"element":"Yb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7952362050946321,0.580407727969259,0.82933869797015],"properties":{"magmom":-0.0},"label":"Yb","xyz":[4.464612221666342,4.185049467011326,4.481621165639967]},{"species":[{"element":"Yb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.031787316851513,0.07725590275539601,0.8282456477912271],"properties":{"magmom":0.0},"label":"Yb","xyz":[0.18176268616915736,0.49786791679247117,6.742148251961681]},{"species":[{"element":"Yb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.203543669061367,0.42274409724452505,0.17175435220881502],"properties":{"magmom":0.0},"label":"Yb","xyz":[1.046683909707086,3.083854432848664,0.5816264933829666]},{"species":[{"element":"Yb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.63665613725373,0.823307205537503,0.434330627513738],"properties":{"magmom":0.0},"label":"Yb","xyz":[3.4437863266132562,5.997670440401269,1.3803171413024717]},{"species":[{"element":"Yb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.202324509739881,0.676692794463782,0.5656693724859211],"properties":{"magmom":0.0},"label":"Yb","xyz":[0.9625531057951181,4.912399917826836,3.646607863043532]},{"species":[{"element":"Yb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.35883576090818503,0.176955731386911,0.5602633218138561],"properties":{"magmom":-0.0},"label":"Yb","xyz":[2.0491347939053526,1.2505985423451267,3.639292815210458]},{"species":[{"element":"Yb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.798572439094641,0.32304426861200103,0.43973667818641304],"properties":{"magmom":-0.0},"label":"Yb","xyz":[4.562404205210689,2.331123802669835,1.450204044397278]},{"species":[{"element":"Yb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.42872760079167405,0.750000000000113,0.9999999999998721],"properties":{"magmom":-0.0},"label":"Yb","xyz":[2.2709428216029393,5.413809351573985,6.646619187513862]},{"species":[{"element":"Y","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5703165362232381,0.24999999999992803,7.1e-15],"properties":{"magmom":-0.0},"label":"Y","xyz":[3.242957026855494,1.8320870000428773,-1.590467189529893]},{"species":[{"element":"Ir","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8231043157189071,0.575381803675021,0.21711281227681603],"properties":{"magmom":0.0},"label":"Ir","xyz":[4.612092940919567,4.198696782060503,-0.6699710989843833]},{"species":[{"element":"Ir","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6059905034415181,0.9246181963247081,0.782887187723147],"properties":{"magmom":0.0},"label":"Ir","xyz":[3.2393366300308726,6.711373573200243,4.266995196136158]},{"species":[{"element":"Ir","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.18128304459997202,0.41631871653205305,0.783559590505412],"properties":{"magmom":-0.0},"label":"Ir","xyz":[0.9358927234552112,2.986322652569267,5.725687388310575]},{"species":[{"element":"Ir","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.39772345409549803,0.08368128346813801,0.21644040949470802],"properties":{"magmom":-0.0},"label":"Ir","xyz":[2.2989336134768936,0.5953996953523419,0.7653299844990219]}]} | false | -40.67541 | -40.67541 | -0.781451 | 0 | true | -0.040531 | 0 | null | null | 3.577449 | false | true | false | NM | 0.000334 | 0.000001 | 0.000334 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250089 | ErTm9IrOs3 | 1 | Triclinic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.8185677457264715,0.005703895557665001,-2.381714933649758],[-0.34760468646583803,7.180096583030619,-0.864283351254671],[0.009426497418208,-0.006214052802976,8.241911506346048]],"pbc":[true,true,true],"a":6.287155888889923,"b":7.240276353217258,"c":8.241919239579165,"alpha":96.90214964666185,"beta":112.19525806352247,"gamma":89.90324610081856,"volume":344.4706789979146},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Er","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.971806243745547,0.9147870686934211,0.18056074662902602],"properties":{"magmom":0.002},"label":"Er","xyz":[5.338238248169186,6.572680573429143,-1.61703498152143]},{"species":[{"element":"Tm","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7906432423309151,0.583475832511943,0.8176849107625941],"properties":{"magmom":0.001},"label":"Tm","xyz":[4.405300239082765,4.188841440565902,4.3519114092314295]},{"species":[{"element":"Tm","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.023792550174867002,0.08488328876040101,0.8136774640326151],"properties":{"magmom":0.002},"label":"Tm","xyz":[0.11660286457426897,0.6045496870801143,6.576227367928434]},{"species":[{"element":"Tm","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.20732927537905202,0.416933852817898,0.180022792310175],"properties":{"magmom":0.002},"label":"Tm","xyz":[1.0631282576665648,2.9936892453632344,0.6295837044277303]},{"species":[{"element":"Tm","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.649121635962281,0.817976435353806,0.43836286257087603],"properties":{"magmom":0.003},"label":"Tm","xyz":[3.496757998107988,5.874128320524299,1.3599618120562307]},{"species":[{"element":"Tm","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.21104119722831102,0.6806706590065511,0.563025128874564],"properties":{"magmom":0.002},"label":"Tm","xyz":[0.996660547125404,4.884986161969263,3.549470998712336]},{"species":[{"element":"Tm","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.352480621944799,0.18028659988110002,0.564662346280812],"properties":{"magmom":0.003},"label":"Tm","xyz":[1.9935866989653275,1.2929768707905274,3.6585700211725514]},{"species":[{"element":"Tm","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7926641725060221,0.32097836577544503,0.43784261070857805],"properties":{"magmom":0.003},"label":"Tm","xyz":[4.504723925378238,2.3064561638809664,1.4433436964882527]},{"species":[{"element":"Tm","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.42079519981518804,0.749283784311067,0.999116744821783],"properties":{"magmom":0.002},"label":"Tm","xyz":[2.1973889936973445,5.376121547114396,6.584824083776543]},{"species":[{"element":"Tm","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.578530877646393,0.25028455356741103,0.9997618100152431],"properties":{"magmom":0.002},"label":"Tm","xyz":[3.2886452729310194,1.7941545748798577,6.645735961977548]},{"species":[{"element":"Ir","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.39597513826199504,0.077651406426404,0.222390268350132],"properties":{"magmom":0.001},"label":"Ir","xyz":[2.27911253610678,0.5584212539114279,0.8227081936858662]},{"species":[{"element":"Os","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.823914180665205,0.576758521415222,0.21849931719992102],"properties":{"magmom":0.001},"label":"Os","xyz":[4.595576195111642,4.144523642987727,-0.6599594593307766]},{"species":[{"element":"Os","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6070498293751211,0.9234655775106331,0.781388495529014],"properties":{"magmom":0.001},"label":"Os","xyz":[3.2185253513539815,6.629178997084693,4.196179264035524]},{"species":[{"element":"Os","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.17485883496429,0.42256305396870103,0.783005501914644],"properties":{"magmom":0.001},"label":"Os","xyz":[0.8779240786339296,3.0301752789137066,5.671783944847042]}]} | false | -40.592842 | -40.592842 | -0.497849 | 0 | true | -0.000281 | 0 | null | null | 3.86698 | false | true | false | NM | 0.027595 | 0.00008 | 0.027595 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250090 | Er2Tm3Os2 | 15 | Monoclinic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.78520036886385,7.357401999999999e-10,-2.356977593064665],[-0.36357735971377103,7.221095413147426,-0.8923999331363861],[-0.0031147186556960004,-0.0030888539348380003,8.270728991718928]],"pbc":[true,true,true],"a":6.24691017080535,"b":7.285107075598618,"c":8.270730155007533,"alpha":97.05648870914156,"beta":112.18829618470217,"gamma":90.00000154069726,"volume":345.44209917914696},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Er","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.792585562448437,0.08417461235033101,0.8171357104237911],"properties":{"magmom":-0.0},"label":"Er","xyz":[4.552117157078104,0.6053088948751358,4.815084180660153]},{"species":[{"element":"Er","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.975449852024404,0.41582538764969,0.18286428957618],"properties":{"magmom":-0.0},"label":"Er","xyz":[5.491418576381937,3.0021499590647056,-1.1577750111669611]},{"species":[{"element":"Er","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.207414437551555,0.915825387649668,0.182864289576208],"properties":{"magmom":-0.0},"label":"Er","xyz":[0.8663911334162332,6.612697665073185,0.20626728485773488]},{"species":[{"element":"Er","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.024550147975595002,0.58417461235031,0.817135710423819],"properties":{"magmom":-0.0},"label":"Er","xyz":[-0.07291028588755954,4.215856600883622,6.179126476684832]},{"species":[{"element":"Tm","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.20503298762424202,0.18087450521290502,0.565681095634062],"properties":{"magmom":-0.0},"label":"Tm","xyz":[1.1186331031264336,1.3043647538209568,4.0339244837004475]},{"species":[{"element":"Tm","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.639352891990505,0.319125494787101,0.43431890436593],"properties":{"magmom":-0.0},"label":"Tm","xyz":[3.581405000571644,2.30309409943921,1.8004059432980593]},{"species":[{"element":"Tm","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7949670123757571,0.8191254947870941,0.434318904365937],"properties":{"magmom":-0.0},"label":"Tm","xyz":[4.299875187367944,5.913641806127364,0.9874269818174238]},{"species":[{"element":"Tm","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.360647108009494,0.680874505212898,0.5656810956340691],"properties":{"magmom":-0.0},"label":"Tm","xyz":[1.8371032899227342,4.914912460509111,3.2209455222198127]},{"species":[{"element":"Tm","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.420165197179294,0.250000000000063,0.999999999999943],"properties":{"magmom":-0.0},"label":"Tm","xyz":[2.3367307951212424,1.802184999661606,7.057309053297111]},{"species":[{"element":"Tm","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5798348028207051,0.749999999999936,5.679999999999999e-14],"properties":{"magmom":-0.0},"label":"Tm","xyz":[3.0817774953731356,5.415821560286715,-2.0359575877792326]},{"species":[{"element":"Os","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.602382626695643,0.420550982946693,0.7793794660641421],"properties":{"magmom":-0.0},"label":"Os","xyz":[3.329573830389203,3.0344313850637192,4.65093432289198]},{"species":[{"element":"Os","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.823002160631453,0.07944901705339101,0.22062053393577202],"properties":{"magmom":-0.0},"label":"Os","xyz":[4.731659368515822,0.5730274686244756,-0.18600530296723938]},{"species":[{"element":"Os","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.39761737330435604,0.5794490170533061,0.220620533935857],"properties":{"magmom":-0.0},"label":"Os","xyz":[2.0889344601051754,4.183575174884602,0.3704171426258916]},{"species":[{"element":"Os","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.17699783936854602,0.9205509829466081,0.779379466064227],"properties":{"magmom":-0.0},"label":"Os","xyz":[0.6868489219785558,6.6449790913238465,5.207356768485111]}]} | false | -40.266213 | -40.266213 | -0.382717 | 0 | true | -0.001028 | 0 | null | null | 3.804322 | false | true | false | NM | 0.002339 | 0.000007 | 0.00117 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250091 | AcLa2RuI3 | 11 | Monoclinic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.47850924373478,0.0,0.0],[0.0,9.848915012605529,0.6223249984910301],[0.0,0.08151403911841801,12.509562564386728]],"pbc":[true,true,true],"a":4.47850924373478,"b":9.86855690206392,"c":12.509828139941781,"alpha":86.01110702802268,"beta":90.0,"gamma":90.0,"volume":551.5503146969256},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Ac","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.25,0.320021839976163,0.8745896084958601],"properties":{"magmom":-0.0},"label":"Ac","xyz":[1.119627310933695,3.22315923566237,11.139891016721718]},{"species":[{"element":"Ac","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.75,0.679978160023836,0.12541039150413902],"properties":{"magmom":-0.0},"label":"Ac","xyz":[3.3588819328010846,6.707269816061568,1.991996546156028]},{"species":[{"element":"La","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.75,0.11434139996159501,0.6700320301839391],"properties":{"magmom":-0.0},"label":"La","xyz":[3.3588819328010846,1.180755747763093,8.452965113287604]},{"species":[{"element":"La","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.25,0.885658600038404,0.32996796981606],"properties":{"magmom":-0.0},"label":"La","xyz":[1.119627310933695,8.749673303960845,4.678922449590142]},{"species":[{"element":"La","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.75,0.09012402465468401,0.10214663590829001],"properties":{"magmom":0.0},"label":"La","xyz":[3.3588819328010846,0.8959502442931914,1.3338961661436177]},{"species":[{"element":"La","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.25,0.9098759753453081,0.897853364091709],"properties":{"magmom":0.0},"label":"La","xyz":[1.119627310933695,9.034478807430677,11.797991396734124]},{"species":[{"element":"Ru","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.75,0.11211690121031301,0.8643922911400851],"properties":{"magmom":0.0},"label":"Ru","xyz":[3.3588819328010846,1.1746899385307148,10.882942596567009]},{"species":[{"element":"Ru","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.25,0.8878830987896861,0.13560770885991502],"properties":{"magmom":0.0},"label":"Ru","xyz":[1.119627310933695,8.755739113193222,2.24894496631075]},{"species":[{"element":"I","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.75,0.125180139840104,0.376979218942516],"properties":{"magmom":-0.0},"label":"I","xyz":[3.3588819328010846,1.2636176573509708,4.793747855172146]},{"species":[{"element":"I","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.25,0.8748198601598951,0.623020781057483],"properties":{"magmom":-0.0},"label":"I","xyz":[1.119627310933695,8.666811394372967,8.338139707705599]},{"species":[{"element":"I","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.25,0.356442694166467,0.606941419410539],"properties":{"magmom":-0.0},"label":"I","xyz":[1.119627310933695,3.560048048314097,7.814394858143109]},{"species":[{"element":"I","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.75,0.6435573058335321,0.39305858058946],"properties":{"magmom":-0.0},"label":"I","xyz":[3.3588819328010846,6.370381003409841,5.317492704734637]},{"species":[{"element":"I","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.75,0.615993259114752,0.8593654969795631],"properties":{"magmom":-0.0},"label":"I","xyz":[3.3588819328010846,6.136915610096899,11.133634454190211]},{"species":[{"element":"I","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.25,0.38400674088524706,0.140634503020436],"properties":{"magmom":-0.0},"label":"I","xyz":[1.119627310933695,3.793513441627038,1.9982531086875353]}]} | false | -33.755874 | -33.755874 | -1.294785 | 0 | true | -0.013749 | 0.043 | 6.0858 | 6.0428 | 6.080985 | false | false | false | NM | 0 | 0 | 0 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250092 | Yb7ErBi6 | 146 | Trigonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[7.697661781008272,-2.6047493e-9,-2.721534762989865],[-3.86376131569586,6.74393973981561,-2.763764351794041],[0.029857492955130002,5.823515418699997e-6,8.249052995545947]],"pbc":[true,true,true],"a":8.16460338050525,"b":8.249107109934965,"c":8.249107030051498,"alpha":109.67780566554762,"beta":109.26384140315146,"gamma":109.26383711929424,"volume":428.7777033576622},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Yb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.648395043025175,0.500000000000007,0.9999999999999921],"properties":{"magmom":-0.001},"label":"Yb","xyz":[3.089102576797277,3.3719756917343644,5.1025411699055185]},{"species":[{"element":"Yb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.49951942928972604,0.001293590048462,0.650763929124607],"properties":{"magmom":0.003},"label":"Yb","xyz":[3.8595636759562626,0.008727681767505189,4.005151469275968]},{"species":[{"element":"Yb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.356379536655111,0.352476001852679,0.35779572137262505],"properties":{"magmom":-0.002},"label":"Yb","xyz":[1.3920888814042198,2.377078998926223,1.0074159605739454]},{"species":[{"element":"Yb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5039035348024751,0.005319719519938,0.147523998147328],"properties":{"magmom":-0.002},"label":"Yb","xyz":[3.862729551407892,0.03587672567091815,-0.16916015949702623]},{"species":[{"element":"Yb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.9982258392412711,0.64947033907616,0.49870640995151605],"properties":{"magmom":0.003},"label":"Yb","xyz":[5.189496642849905,4.379991731151574,-0.3978336885876134]},{"species":[{"element":"Yb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8487565001651161,0.8492360708753701,0.850529660923882],"properties":{"magmom":0.003},"label":"Yb","xyz":[3.2775896775207167,5.727201837723071,2.359055547788866]},{"species":[{"element":"Yb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.9985838152824941,0.142204278627374,0.49468028048003904],"properties":{"magmom":-0.002},"label":"Yb","xyz":[7.152086992336071,0.9590199639841394,0.9699441665380938]},{"species":[{"element":"Er","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.14765193608106802,0.500000000000007,0.9999999999999921],"properties":{"magmom":0.0},"label":"Er","xyz":[-0.7654484996297135,3.3719756930386744,6.465330942781458]},{"species":[{"element":"Bi","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.37059173553885905,0.624357897540839,0.754462778631221],"properties":{"magmom":-0.0},"label":"Bi","xyz":[0.46284631444539676,4.210636429753713,3.4894470529655934]},{"species":[{"element":"Bi","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.882017593100691,0.255034570844557,0.12538937344449802],"properties":{"magmom":0.0},"label":"Bi","xyz":[5.807824219928068,1.7199385052549423,-2.0709534099454934]},{"species":[{"element":"Bi","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.616128956907672,0.7455372213687921,0.36989511890966004],"properties":{"magmom":-0.0},"label":"Bi","xyz":[1.8732185893315423,5.027860247185772,-0.6860211313840087]},{"species":[{"element":"Bi","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.12698302225614802,0.8703548025999831,0.24496542915546302],"properties":{"magmom":0.0},"label":"Bi","xyz":[-2.3780568063825878,5.869621767222592,-0.730311479038125]},{"species":[{"element":"Bi","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.24623383799801202,0.130104881090353,0.8756421024591311],"properties":{"magmom":-0.0},"label":"Bi","xyz":[1.4188750753135526,0.8774245766031237,6.193504926028721]},{"species":[{"element":"Bi","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7566282196561711,0.37461062655548705,0.629645197400023],"properties":{"magmom":0.0},"label":"Bi","xyz":[4.395661708591564,2.5263551561624626,2.0994511038130925]}]} | false | -46.449872 | -46.449872 | -0.689534 | 0 | true | -0.29628 | 0 | null | null | 4.680013 | false | true | false | NM | 0.000044 | 0 | 0.000044 | 0 | 0 | [
"Er3+",
"Yb3+",
"Bi3-",
"Yb2+"
] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250093 | Pr8Nd2IrRu3 | 1 | Triclinic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[8.904407123400388,-0.022987179614004,0.9360144730258511],[6.440225164201729,6.215095682734547,0.9481340390568701],[-0.048521590258552,-0.015377146270929001,7.336295914790489]],"pbc":[true,true,true],"a":8.953497513452719,"b":9.000159591206208,"c":7.336472486878164,"alpha":84.30897701241055,"beta":84.37787824589974,"gamma":43.8724265563165,"volume":407.409937122172},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Pr","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.015534569932896002,0.8010280563263371,0.9131423578997651],"properties":{"magmom":-0.0},"label":"Pr","xyz":[5.252820061416177,4.964067395070184,7.473105098614188]},{"species":[{"element":"Pr","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.20287208838643503,0.982293882391253,0.5911313191798221],"properties":{"magmom":0.0},"label":"Pr","xyz":[8.103966817326606,6.091297097731671,5.457951759158798]},{"species":[{"element":"Pr","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.981967490310452,0.20253359683427102,0.09030495502022201],"properties":{"magmom":-0.0},"label":"Pr","xyz":[10.043818542570541,1.2348043877161625,1.773668652782842]},{"species":[{"element":"Pr","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7955851059947601,0.020246530680381,0.41055309295254705],"properties":{"magmom":0.0},"label":"Pr","xyz":[7.194685212510941,0.10123273272994691,3.7758145772781506]},{"species":[{"element":"Pr","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.35883069166554504,0.21123139413460001,0.8156314217571671],"properties":{"magmom":0.0},"label":"Pr","xyz":[4.515976573287931,1.2920327365080932,6.519859863073142]},{"species":[{"element":"Pr","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.786937337519908,0.642267622596676,0.6835026364862451],"properties":{"magmom":0.0},"label":"Pr","xyz":[11.110393904212911,3.963154938420432,6.3599181322536715]},{"species":[{"element":"Pr","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.642933462960236,0.7872636468563811,0.18408489981290901],"properties":{"magmom":0.0},"label":"Pr","xyz":[10.786164364719786,4.875308965327336,2.6987277862920536]},{"species":[{"element":"Pr","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.21242762497310902,0.354244246303949,0.31409040667562405],"properties":{"magmom":-0.0},"label":"Pr","xyz":[4.157714600321089,2.191948959741247,2.8389665268754216]},{"species":[{"element":"Nd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.570290893761075,0.42967566104022803,0.7494159892835981],"properties":{"magmom":-0.0},"label":"Nd","xyz":[7.8089474459275525,2.6458420874151303,6.43912811104165]},{"species":[{"element":"Nd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.42963639549855503,0.5715842111978511,0.249219173291876],"properties":{"magmom":-0.0},"label":"Nd","xyz":[7.494695890355153,3.538742154661728,2.772429934058113]},{"species":[{"element":"Ir","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.17834925456206402,0.599707452247756,0.572567908984133],"properties":{"magmom":-0.0},"label":"Ir","xyz":[5.422563492425972,3.714334990533632,4.936068144096061]},{"species":[{"element":"Ru","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.392794614907764,0.8271598451101521,0.9261060905503271],"properties":{"magmom":0.0},"label":"Ru","xyz":[8.779762676051979,5.1176074730943935,7.946108178137182]},{"species":[{"element":"Ru","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8275750438488241,0.39490438194602,0.427743349803741],"properties":{"magmom":0.0},"label":"Ru","xyz":[9.89158346610315,2.428767431092294,4.287096294997224]},{"species":[{"element":"Ru","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6042654256783561,0.175859472334146,0.072507398302008],"properties":{"magmom":0.0},"label":"Ru","xyz":[6.509681785653402,1.077978132527911,1.2642752657497598]}]} | false | -30.486946 | -30.486946 | -0.294044 | 0 | true | -0.001904 | 0 | null | null | 4.699 | false | true | false | NM | 0.000098 | 0 | 0.000098 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250094 | Tb2DyRuI3 | 11 | Monoclinic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.230064635009616,0.0,0.0],[0.0,8.7791082284546,0.5945895070160321],[0.0,0.009935566262668,12.298385678845422]],"pbc":[true,true,true],"a":4.230064635009616,"b":8.799220304593632,"c":12.29838969219577,"alpha":86.07911331901502,"beta":90.0,"gamma":90.0,"volume":456.6902622971284},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Tb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.75,0.099566511917657,0.6826387631795681],"properties":{"magmom":-0.0},"label":"Tb","xyz":[3.1725484762572123,0.880887586719862,8.454555992148777]},{"species":[{"element":"Tb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.25,0.900433488082342,0.31736123682043105],"properties":{"magmom":-0.0},"label":"Tb","xyz":[1.057516158752404,7.908156207997398,4.438419193712666]},{"species":[{"element":"Tb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.25,0.26277333549514004,0.895923942427117],"properties":{"magmom":0.0},"label":"Tb","xyz":[1.057516158752404,2.3158170635601407,11.1746604508894]},{"species":[{"element":"Tb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.75,0.7372266645048591,0.104076057572882],"properties":{"magmom":0.0},"label":"Tb","xyz":[3.1725484762572123,6.473226731157119,1.7183147349720416]},{"species":[{"element":"Dy","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.75,0.12703910642729,0.12428963928788],"properties":{"magmom":-0.0},"label":"Dy","xyz":[3.1725484762572123,1.116524952518249,1.6040980395092863]},{"species":[{"element":"Dy","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.25,0.87296089357271,0.875710360712119],"properties":{"magmom":-0.0},"label":"Dy","xyz":[1.057516158752404,7.672518842199019,11.288877146352156]},{"species":[{"element":"Ru","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.75,0.055215078856925004,0.905717486093607],"properties":{"magmom":0.0},"label":"Ru","xyz":[3.1725484762572123,0.49373796922594004,11.171693266570886]},{"species":[{"element":"Ru","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.25,0.9447849211430751,0.094282513906392],"properties":{"magmom":0.0},"label":"Ru","xyz":[1.057516158752404,8.29530582549133,1.7212819192905575]},{"species":[{"element":"I","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.25,0.35549519239521704,0.635806129961437],"properties":{"magmom":0.0},"label":"I","xyz":[1.057516158752404,3.1272478626673434,8.03076271443271]},{"species":[{"element":"I","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.75,0.644504807604782,0.364193870038562],"properties":{"magmom":0.0},"label":"I","xyz":[3.1725484762572123,5.661795932049916,4.862212471428732]},{"species":[{"element":"I","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.75,0.145635619202259,0.390778069918141],"properties":{"magmom":-0.0},"label":"I","xyz":[3.1725484762572123,1.2824334643023019,4.892532829713566]},{"species":[{"element":"I","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.25,0.85436438079774,0.6092219300818581],"properties":{"magmom":-0.0},"label":"I","xyz":[1.057516158752404,7.506610330414958,8.000442356147877]},{"species":[{"element":"I","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.25,0.42426879077252905,0.133571340849478],"properties":{"magmom":-0.0},"label":"I","xyz":[1.057516158752404,3.7260287390553963,1.8949776365551267]},{"species":[{"element":"I","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.75,0.57573120922747,0.866428659150521],"properties":{"magmom":-0.0},"label":"I","xyz":[3.1725484762572123,5.063015055661864,10.997997549306316]}]} | false | -28.829776 | -28.829776 | -1.181882 | 0 | true | -0.036967 | 0 | null | null | 5.021986 | false | true | false | NM | 0 | 0 | 0 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250095 | Ca6DyHoSb6 | 1 | Triclinic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[7.676197749968548,0.0007646670005570001,-2.649133659609154],[-3.824385194312262,6.693319165186032,-2.724696654150872],[-0.005131026549566001,0.001343518079372,8.115128458005334]],"pbc":[true,true,true],"a":8.120463141213808,"b":8.176210333563004,"c":8.115130191340267,"alpha":109.43975675576185,"beta":109.07629897914855,"gamma":109.47304670510533,"volume":416.9236183033691},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Ca","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.139259077151862,0.495250787507004,0.9985102820435611],"properties":{"magmom":-0.0},"label":"Ca","xyz":[-0.830172947284635,3.3163195910312955,6.38471513304761]},{"species":[{"element":"Ca","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.498513517726749,0.9953215831031551,0.639269939943901],"properties":{"magmom":-0.0},"label":"Ca","xyz":[0.016915106069636674,6.6632450952659,1.1551793551207006]},{"species":[{"element":"Ca","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.353672489474668,0.358844208367919,0.356899186542939],"properties":{"magmom":-0.0},"label":"Ca","xyz":[1.3406702311825773,2.402608759376342,0.981615435106964]},{"species":[{"element":"Ca","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.003977818320422001,0.146258644304595,0.503752386327271],"properties":{"magmom":0.0},"label":"Ca","xyz":[-0.5313996406463221,0.9796356291430339,3.678967114890722]},{"species":[{"element":"Ca","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.856873240595838,0.858986422027697,0.8534995897897271],"properties":{"magmom":-0.0},"label":"Ca","xyz":[3.2880541578967866,5.751272196012924,2.31580963625779]},{"species":[{"element":"Ca","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.004005773043836001,0.6464040856130421,0.5040647146199141],"properties":{"magmom":-0.0},"label":"Ca","xyz":[-2.4439354779689095,4.327269137828051,2.3186830327859114]},{"species":[{"element":"Dy","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6440820379393131,0.499295969871262,0.9992859573653091],"properties":{"magmom":0.0},"label":"Dy","xyz":[3.029473612891626,3.343782351269712,5.042644445506388]},{"species":[{"element":"Ho","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.49935963144965,0.9992943992316151,0.144167466370099],"properties":{"magmom":0.0},"label":"Ho","xyz":[0.010756847080842326,6.6891718894691365,-2.8757070049628597]},{"species":[{"element":"Sb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.863903922146633,0.24937757912531502,0.1260756115907],"properties":{"magmom":0.0},"label":"Sb","xyz":[5.677134524660374,1.6699937134116245,-1.9449554308098853]},{"species":[{"element":"Sb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.122058239371227,0.870554319859387,0.24208610317400303],"properties":{"magmom":-0.0},"label":"Sb","xyz":[-2.3936340195109524,5.827316494414498,-0.7307852077734412]},{"species":[{"element":"Sb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.38312101929587705,0.6301895001044641,0.76292669785176],"properties":{"magmom":-0.0},"label":"Sb","xyz":[0.5269107153320598,4.2193774245606885,3.4592341467727348]},{"species":[{"element":"Sb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.26293280563562105,0.129497964469578,0.883598979168517],"properties":{"magmom":-0.0},"label":"Sb","xyz":[1.5185403431807591,0.8681593946800672,6.121132405180492]},{"species":[{"element":"Sb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7423767420209161,0.370356506264784,0.6215039106651681],"properties":{"magmom":-0.0},"label":"Sb","xyz":[4.279055784487399,2.4803169740704027,2.0678197233392566]},{"species":[{"element":"Sb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.625865685827385,0.750368030150184,0.364360174547158],"properties":{"magmom":-0.0},"label":"Sb","xyz":[1.9327028428098676,5.023420820465758,-0.7456974944202475]}]} | false | -19.929858 | -19.929858 | -1.263372 | 0.000027 | false | null | 0.7991 | 5.536 | 4.7369 | 4.824614 | false | false | false | NM | 0 | 0 | 0 | 0 | 0 | [
"Ca2+",
"Ho3+",
"Sb3-",
"Dy3+"
] | true | null | null | null | null | null | null | null | false | false | false | true | true |
mp-3250096 | Yb4SmIr2 | 15 | Monoclinic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[8.337872319266054,-0.106733103452036,1.004257256267388],[5.90375528612973,5.8887336834845945,1.004257253397859],[0.000181515421545,0.0000740893945018,7.354263762007718]],"pbc":[true,true,true],"a":8.398811785277802,"b":8.39881202935945,"c":7.35426376462097,"alpha":83.1312267807625,"beta":83.13122877547356,"gamma":45.31453803296733,"volume":365.7235837045362},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Yb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.023717411887780003,0.803187295114504,0.418287889472132],"properties":{"magmom":-0.0},"label":"Yb","xyz":[4.93964991705083,4.727255636607487,3.906624517575523]},{"species":[{"element":"Yb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.19681270488558,0.976282588112077,0.08171211052782401],"properties":{"magmom":-0.0},"label":"Yb","xyz":[7.404747526476633,5.7280677844246695,1.7790218708564889]},{"species":[{"element":"Yb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.9762825881122191,0.19681270488549502,0.5817121105278671],"properties":{"magmom":-0.0},"label":"Yb","xyz":[9.302159203766486,1.054819032819568,5.456153754097433]},{"species":[{"element":"Yb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8031872951144191,0.023717411887922,0.9182878894721751],"properties":{"magmom":-0.0},"label":"Yb","xyz":[6.837061594340684,0.054006885002385305,7.583756400816467]},{"species":[{"element":"Yb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.35921994503556903,0.20289902152239803,0.32126118691734],"properties":{"magmom":-0.0},"label":"Yb","xyz":[4.193054520963521,1.1565014448763107,2.9271515555549206]},{"species":[{"element":"Yb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.797100978477402,0.6407800549646361,0.178738813082745],"properties":{"magmom":-0.0},"label":"Yb","xyz":[10.42916726470159,3.68831927482825,2.758494835563383]},{"species":[{"element":"Yb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.64078005496443,0.7971009784776011,0.678738813082659],"properties":{"magmom":-0.0},"label":"Yb","xyz":[10.048754599853796,4.625573224550744,6.435626716118035]},{"species":[{"element":"Yb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.202899021522597,0.35921994503536303,0.821261186917254],"properties":{"magmom":-0.0},"label":"Yb","xyz":[3.8126418561157265,2.093755394598805,6.604283436109573]},{"species":[{"element":"Sm","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.566879387453681,0.433120612546247,0.24999999999995],"properties":{"magmom":-0.0},"label":"Sm","xyz":[7.283651437719582,2.49004566615527,2.8428231955260252]},{"species":[{"element":"Sm","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.433120612546318,0.566879387453752,0.7500000000000491],"properties":{"magmom":-0.0},"label":"Sm","xyz":[6.958157683097733,3.2920290032717845,6.519955076146931]},{"species":[{"element":"Ir","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.177869727704454,0.6050748632092251,0.07840625851078101],"properties":{"magmom":0.0},"label":"Ir","xyz":[5.055283233183109,3.5441459490341507,1.36289809062453]},{"species":[{"element":"Ir","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.39492513679075303,0.8221302722955881,0.421593741488941],"properties":{"magmom":0.0},"label":"Ir","xyz":[8.146567832948039,4.799185876823526,4.322748298816674]},{"species":[{"element":"Ir","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.822130272295545,0.394925136790774,0.921593741489218],"properties":{"magmom":0.0},"label":"Ir","xyz":[9.186525887634206,2.237928720392905,7.999880181048425]},{"species":[{"element":"Ir","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6050748632092461,0.177869727704411,0.5784062585110591],"properties":{"magmom":0.0},"label":"Ir","xyz":[6.095241287869277,0.9828887926035281,5.040029972856289]}]} | false | -40.822049 | -40.822049 | -0.740743 | 0.000866 | false | null | 0 | null | null | 3.548442 | false | true | false | NM | 0.000552 | 0.000002 | 0.000276 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | true | true |
mp-3250097 | Nd2Re2I | 194 | Hexagonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.2049277869032045,-1.4128031e-9,0.0],[-2.102463395845433,3.641574474174011,0.0],[0.0,0.0,18.306080829876]],"pbc":[true,true,true],"a":4.2049277869032045,"b":4.204927702330402,"c":18.306080829876,"alpha":90.0,"beta":90.0,"gamma":119.99999285534336,"volume":280.31291881386164},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Nd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.11455265587554901],"properties":{"magmom":0.0},"label":"Nd","xyz":[0.0,0.0,2.09701017773477]},{"species":[{"element":"Nd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.88544734412445],"properties":{"magmom":0.0},"label":"Nd","xyz":[0.0,0.0,16.20907065214121]},{"species":[{"element":"Nd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.6145526558755491],"properties":{"magmom":0.0},"label":"Nd","xyz":[0.0,0.0,11.250050592672771]},{"species":[{"element":"Nd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.38544734412445003],"properties":{"magmom":0.0},"label":"Nd","xyz":[0.0,0.0,7.0560302372032115]},{"species":[{"element":"Re","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.5129399662281521],"properties":{"magmom":-0.0},"label":"Re","xyz":[-1.7707262601994996e-6,2.427717529503217,9.389920482646417]},{"species":[{"element":"Re","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.48706003377184703],"properties":{"magmom":-0.0},"label":"Re","xyz":[2.1024661617840295,1.2138569432579875,8.916160347229566]},{"species":[{"element":"Re","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.012939966228152001],"properties":{"magmom":-0.0},"label":"Re","xyz":[2.1024661617840295,1.2138569432579875,0.2368800677084162]},{"species":[{"element":"Re","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.987060033771847],"properties":{"magmom":-0.0},"label":"Re","xyz":[-1.7707262601994996e-6,2.427717529503217,18.069200762167565]},{"species":[{"element":"I","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.25],"properties":{"magmom":0.0},"label":"I","xyz":[-1.7707262601994996e-6,2.427717529503217,4.576520207469]},{"species":[{"element":"I","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.75],"properties":{"magmom":0.0},"label":"I","xyz":[2.1024661617840295,1.2138569432579875,13.729560622407]}]} | false | -38.243857 | -38.243857 | -0.60067 | 0 | true | -0.139252 | 0 | null | null | 5.041268 | false | true | false | NM | 0.000021 | 0 | 0.000011 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250098 | Li3Dy3CdSb2 | 189 | Hexagonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[7.315803249799877,-2.1754431e-9,0.0],[-3.6579011286659973,6.335672531019869,0.0],[0.0,0.0,4.495536968663208]],"pbc":[true,true,true],"a":7.315803249799877,"b":7.31580392625552,"c":4.495536968663208,"alpha":90.0,"beta":90.0,"gamma":119.99999247069759,"volume":208.37053769434496},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Li","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.758989000033857,0.7589890000338281,0.5],"properties":{"magmom":0.0},"label":"Li","xyz":[2.7763074731412334,4.808705757209426,2.247768484331604]},{"species":[{"element":"Li","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.24101099996608602,2.129999999999999e-14,0.5],"properties":{"magmom":0.0},"label":"Li","xyz":[1.763189056789332,-5.241707670754113e-10,2.247768484331604]},{"species":[{"element":"Li","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[5.679999999999999e-14,0.24101099996615002,0.5],"properties":{"magmom":0.0},"label":"Li","xyz":[-0.8815944087966853,1.5269667721591673,2.247768484331604]},{"species":[{"element":"Dy","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.42093957766309803,0.42093957766288503,0.0],"properties":{"magmom":-0.0},"label":"Dy","xyz":[1.539755774003825,2.6669353185021154,0.0]},{"species":[{"element":"Dy","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5790604223365461,1.563e-13,0.0],"properties":{"magmom":-0.0},"label":"Dy","xyz":[4.236292119559621,-1.2587227346385265e-9,0.0]},{"species":[{"element":"Dy","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[3.553e-13,0.5790604223369581,0.0],"properties":{"magmom":-0.0},"label":"Dy","xyz":[-2.118145772429569,3.6687372116010293,0.0]},{"species":[{"element":"Cd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.0],"properties":{"magmom":0.0},"label":"Cd","xyz":[0.0,0.0,0.0]},{"species":[{"element":"Sb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.5],"properties":{"magmom":-0.0},"label":"Sb","xyz":[3.6579054482126714,2.111888730332169,2.247768484331604]},{"species":[{"element":"Sb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.5],"properties":{"magmom":-0.0},"label":"Sb","xyz":[-3.3270787950579177e-6,4.22378379851225,2.247768484331604]}]} | false | -20.187585 | -20.187585 | -0.785013 | 0 | true | -0.049145 | 0 | null | null | 4.453266 | false | true | false | NM | 0.000001 | 0 | 0.000001 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250099 | TbH6RuAu | 216 | Cubic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.23463921116551,-6.2484084e-9,2.444869853079032],[1.411547392876795,3.992454972160249,2.444869853079033],[-2.8522815000000005e-9,-2.0168667e-9,4.889738716052345]],"pbc":[true,true,true],"a":4.889740059270547,"b":4.889739394442107,"c":4.889738716052345,"alpha":59.99999792462205,"beta":60.00000242227407,"gamma":59.999985573468,"volume":82.6688878285151},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Tb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.25,0.25,0.25],"properties":{"magmom":0.0},"label":"Tb","xyz":[1.4115466502975058,0.9981137409737435,2.4448696055526025]},{"species":[{"element":"H","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7559310075404391,0.7559310075409861,0.24406899245909103],"properties":{"magmom":-0.0},"label":"H","xyz":[4.268127527659648,3.0180205044514965,4.889739464502999]},{"species":[{"element":"H","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.24406899245886302,0.755931007541619,0.24406899245840202],"properties":{"magmom":-0.0},"label":"H","xyz":[2.100576567889908,3.0180205076523463,3.6383034548919473]},{"species":[{"element":"H","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.755931007541342,0.24406899245858601,0.24406899245867902],"properties":{"magmom":-0.0},"label":"H","xyz":[3.545610034761247,0.9744344572758039,3.638303454891947]},{"species":[{"element":"H","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.24406899245956,0.244068992459013,0.755931007540908],"properties":{"magmom":-0.0},"label":"H","xyz":[1.37805907353037,0.974434459443474,4.889738957707402]},{"species":[{"element":"H","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7559310075411361,0.24406899245838,0.755931007541597],"properties":{"magmom":-0.0},"label":"H","xyz":[3.5456100333001097,0.9744344562426239,6.141174967318453]},{"species":[{"element":"H","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.244068992458657,0.7559310075414131,0.75593100754132],"properties":{"magmom":-0.0},"label":"H","xyz":[2.1005765664287703,3.0180205066191665,6.141174967318453]},{"species":[{"element":"Ru","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.0],"properties":{"magmom":-0.0},"label":"Ru","xyz":[0.0,0.0,0.0]},{"species":[{"element":"Au","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.75,0.75,0.75],"properties":{"magmom":0.0},"label":"Au","xyz":[4.234639950892517,2.9943412229212307,7.334608816657807]}]} | false | -14.552254 | -14.552254 | -0.333743 | 0 | true | -0.002809 | 2.1917 | 6.3737 | 4.182 | 4.182772 | false | false | false | NM | 0 | 0 | 0 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250100 | Nd2B4Ir4Os | 22 | Orthorhombic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[6.214598227820196,0.050409661334178006,4.31269902143365],[4.326537176353733,4.482098577103254,1.34504974824686],[-0.015000910919893001,0.035209677486215,5.657748767003876]],"pbc":[true,true,true],"a":7.564598146409134,"b":6.373169573964032,"c":5.657878211772589,"alpha":77.66538429511449,"beta":55.391466364835715,"gamma":46.94315255775626,"volume":157.01109640889666},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Nd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8595839207013111,0.859584920702076,0.140415079298776],"properties":{"magmom":0.0},"label":"Nd","xyz":[9.05888847180734,3.901019653965357,5.65774445660717]},{"species":[{"element":"Nd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.140414079298693,0.14041607929792102,0.859584920701223],"properties":{"magmom":0.0},"label":"Nd","xyz":[1.4672379187874287,0.6667026432375308,5.6577457997289295]},{"species":[{"element":"B","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.46501121779314003,0.7984275178244641,0.21361001290577503],"properties":{"magmom":0.0},"label":"B","xyz":[6.341079883729939,3.6095930392288977,4.287929942912636]},{"species":[{"element":"B","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.21360901290522302,0.5229512514769891,0.46501221779391205],"properties":{"magmom":0.0},"label":"B","xyz":[3.583086617127335,2.3710599483535324,4.255549131935512]},{"species":[{"element":"B","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.798425517824711,0.46501321779282906,0.522950251476309],"properties":{"magmom":0.0},"label":"B","xyz":[6.96594605225849,2.1428963514533694,7.027556001428447]},{"species":[{"element":"B","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5229492514769231,0.21361001290571802,0.7984265178239981],"properties":{"magmom":0.0},"label":"B","xyz":[4.162134028476416,1.0118951697506646,7.0599354659477545]},{"species":[{"element":"Ir","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.500684683349746,0.500683683349898,0.9993163166502651],"properties":{"magmom":-0.0},"label":"Ir","xyz":[5.262790060402235,2.3045385752602328,8.48662746454525]},{"species":[{"element":"Ir","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.9993163166502511,0.9993163166501021,0.5006826833497371],"properties":{"magmom":-0.0},"label":"Ir","xyz":[10.526417909077939,4.5470383138252215,8.486617495431585]},{"species":[{"element":"Ir","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.500000999999997,0.5],"properties":{"magmom":-0.0},"label":"Ir","xyz":[5.263071573164181,2.283863440060387,5.657750113391938]},{"species":[{"element":"Ir","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.750000999999997,0.7499990000000021,0.75],"properties":{"magmom":-0.0},"label":"Ir","xyz":[7.894602758001568,3.425784005253828,8.486626120162553]},{"species":[{"element":"Os","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.25,0.24999900000000203,0.24999900000000203],"properties":{"magmom":-0.0},"label":"Os","xyz":[2.631529311777252,1.141924961672666,2.8288673813725955]}]} | false | -32.64391 | -32.64391 | -0.767175 | 0 | true | -0.002818 | 0 | null | null | 7.20106 | false | true | false | NM | 0 | 0 | 0 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250101 | Ho2CoNi3B4 | 1 | Triclinic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.2047964578656,0.02466857003999,2.505120569053949],[1.055205819409399,4.077459148241061,2.53509524781322],[0.0000962331074488,-0.0035543273306940003,6.880380320754138]],"pbc":[true,true,true],"a":4.89454296701174,"b":4.915876355480816,"c":6.880381239489887,"alpha":58.98450036136783,"beta":59.214301719208464,"gamma":63.094090843716764,"volume":117.81175060093865},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Ho","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.12290911448820901,0.873218853632259,0.255164274238161],"properties":{"magmom":0.0},"label":"Ho","xyz":[1.4382579804612026,3.562639257904991,4.277222368000421]},{"species":[{"element":"Ho","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8706515643335201,0.11957692372391102,0.7590274803414441],"properties":{"magmom":-0.0},"label":"Ho","xyz":[3.7871639230983454,0.5063499185336475,7.706623772024379]},{"species":[{"element":"Co","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.46886496899314506,0.280342288127549,0.200526383700278],"properties":{"magmom":-0.0},"label":"Co","xyz":[2.2673198719754053,1.1539377192853004,3.26495546453019]},{"species":[{"element":"Ni","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.728556345633649,0.5307480395473261,0.29769356732585],"properties":{"magmom":0.0},"label":"Ni","xyz":[3.6235082094233926,2.1810177921210783,5.218863282248117]},{"species":[{"element":"Ni","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.532306314288284,0.7279396675232871,0.79378353320574],"properties":{"magmom":0.0},"label":"Ni","xyz":[3.006442266424427,2.978454125800405,8.64042048960136]},{"species":[{"element":"Ni","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.277433769582401,0.47135048230097704,0.699474872068478],"properties":{"magmom":0.0},"label":"Ni","xyz":[1.6639916161783201,1.9262700678074305,6.702576555108696]},{"species":[{"element":"B","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.167621320768944,0.49346057656337905,0.023450235549042003],"properties":{"magmom":0.0},"label":"B","xyz":[1.2255182645598413,2.01611697068312,1.832227720287943]},{"species":[{"element":"B","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.49664399331755504,0.8475993819409731,0.472204565289622],"properties":{"magmom":0.0},"label":"B","xyz":[2.9827241459864755,3.466624981480697,6.64184524675386]},{"species":[{"element":"B","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.840809434432479,0.48873196254528706,0.979056677418469],"properties":{"magmom":0.0},"label":"B","xyz":[4.051239560317266,2.0100462902348237,10.081593380767373]},{"species":[{"element":"B","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.49420217416182705,0.16703182409505501,0.519620410862891],"properties":{"magmom":-0.0},"label":"B","xyz":[2.2543225088836287,0.6914097991230838,5.236663664424137]}]} | false | -15.024418 | -15.024418 | -0.591669 | 0 | true | -0.000429 | 0 | null | null | 6.493352 | false | true | false | NM | 0.000039 | 0 | 0.000039 | 0 | 0 | [
"B3-",
"Ho2+",
"Co2+",
"Ni2+"
] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250102 | KDyH6Ru | 216 | Cubic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.45251093245278,-4.4386361000000015e-9,2.5706580812989452],[1.484171299808722,4.197868555249441,2.570658081298948],[7.8559209e-9,5.5549753e-9,5.141318135342867]],"pbc":[true,true,true],"a":5.141316618781525,"b":5.14131771292881,"c":5.141318135342867,"alpha":60.00000988743022,"beta":60.000002847582266,"gamma":59.99999802174067,"volume":96.09666321290872},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"K","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.75,0.75,0.75],"properties":{"magmom":0.0},"label":"K","xyz":[4.452511680088067,3.148401417274335,7.71197572345557]},{"species":[{"element":"Dy","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.25,0.25,0.25],"properties":{"magmom":-0.0},"label":"Dy","xyz":[1.4841705600293558,1.049467139091445,2.57065857448519]},{"species":[{"element":"H","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7648712768601551,0.764871276859842,0.23512872314013503],"properties":{"magmom":-0.0},"label":"H","xyz":[4.540797721149539,3.210829079854569,5.141316626447587]},{"species":[{"element":"H","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.235128723139745,0.764871276859956,0.23512872314020603],"properties":{"magmom":-0.0},"label":"H","xyz":[2.182113209324128,3.210829082206382,3.779529649718932]},{"species":[{"element":"H","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.764871276860112,0.23512872313990102,0.23512872314005],"properties":{"magmom":-0.0},"label":"H","xyz":[3.7545690266308305,0.987039471216091,3.7795296497189304]},{"species":[{"element":"H","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.235128723139844,0.235128723140157,0.7648712768598641],"properties":{"magmom":-0.0},"label":"H","xyz":[1.3958845189678784,0.9870394765112068,5.141317671493164]},{"species":[{"element":"H","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.764871276860255,0.23512872314004302,0.7648712768597931],"properties":{"magmom":-0.0},"label":"H","xyz":[3.7545690307932937,0.987039474159394,6.503104648221821]},{"species":[{"element":"H","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.23512872313988703,0.764871276860098,0.764871276859949],"properties":{"magmom":-0.0},"label":"H","xyz":[2.182113213486587,3.2108290851496846,6.50310464822182]},{"species":[{"element":"Ru","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.0],"properties":{"magmom":-0.0},"label":"Ru","xyz":[0.0,0.0,0.0]}]} | false | -9.840643 | -9.840643 | -0.490057 | 0 | true | -0.045748 | 2.7153 | 4.0764 | 1.3611 | 1.382864 | false | false | false | NM | 0 | 0 | 0 | 0 | 0 | [
"K+",
"Ru2+",
"Dy3+",
"H-"
] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250103 | Pr5AuSe4 | 87 | Tetragonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[7.309807285676473,0.037172266005446,-1.229951030471196],[-5.224941618363015,5.112204865523092,-1.229951006115821],[-0.015050724627541002,-0.037172280940192,7.412544822760933]],"pbc":[true,true,true],"a":7.412654306552139,"b":7.412653572090444,"c":7.412653307164852,"alpha":99.66869040029447,"beta":99.6686965169363,"gamma":131.6131923028082,"volume":277.7737590158463},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Pr","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.39910297167871506,0.7990386959043071,0.19814166758273102],"properties":{"magmom":0.0},"label":"Pr","xyz":[-1.2605469024767506,4.0923196930366865,-0.004921567019737662]},{"species":[{"element":"Pr","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.0],"properties":{"magmom":-0.0},"label":"Pr","xyz":[0.0,0.0,0.0]},{"species":[{"element":"Pr","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.600897028321284,0.20096130409568502,0.8018583324172681],"properties":{"magmom":0.0},"label":"Pr","xyz":[3.330361845162701,1.0198851575516188,4.957564353193658]},{"species":[{"element":"Pr","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.200961304096225,0.399102971678964,0.600063275774388],"properties":{"magmom":0.0},"label":"Pr","xyz":[-0.6253327090389246,2.025460620045613,3.7099462635520624]},{"species":[{"element":"Pr","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7990386959037751,0.6008970283210361,0.39993672422561105],"properties":{"magmom":0.0},"label":"Pr","xyz":[2.6951476517248416,3.0867442305427333,1.2426965226218458]},{"species":[{"element":"Au","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.5,0.0],"properties":{"magmom":0.0},"label":"Au","xyz":[1.0424328336567288,2.574688565764269,-1.2299510182935085]},{"species":[{"element":"Se","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.09795337242825701,0.6979287494795511,0.7958811219075621],"properties":{"magmom":0.0},"label":"Se","xyz":[-2.9425952819771966,3.5420111810352988,4.920608470753268]},{"species":[{"element":"Se","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.697928749479359,0.9020466275717921,0.5999743770513171],"properties":{"magmom":0.0},"label":"Se","xyz":[0.37955364259084917,4.615088335429038,2.479445620638036]},{"species":[{"element":"Se","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.30207125052064004,0.09795337242820701,0.40002562294868205],"properties":{"magmom":0.0},"label":"Se","xyz":[1.6902613000950653,0.4971165151593025,2.473197165535875]},{"species":[{"element":"Se","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.902046627571742,0.30207125052044803,0.204118878092437],"properties":{"magmom":0.0},"label":"Se","xyz":[5.01241022466311,1.5701936695530425,0.032034315420643375]}]} | false | -27.37178 | -27.37178 | -1.886681 | 0 | true | -0.025859 | 0 | null | null | 5.167589 | false | true | false | NM | 0 | 0 | 0 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250104 | PrSn6(RuRh)2 | 42 | Orthorhombic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.9662179920647,-0.017640751597835,-3.412616694474406],[-1.9286013578487722,5.645933703302284,-3.412616693697489],[0.018495262760003,0.025781857445965003,6.959716758647648]],"pbc":[true,true,true],"a":6.873283133143789,"b":6.873283296771897,"c":6.959789087286974,"alpha":119.61715478585216,"beta":119.61715654816078,"gamma":89.95161106653968,"volume":235.25246338056428},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Pr","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.002336391045275,0.0023363910452400003,0.999999999999545],"properties":{"magmom":0.0},"label":"Pr","xyz":[0.027928714108497565,0.03893175069830234,6.943770344474564]},{"species":[{"element":"Sn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.9942147197791861,0.49421471977915105,0.499999999999701],"properties":{"magmom":-0.0},"label":"Sn","xyz":[4.987806200867219,2.785655776885642,-1.5995807742782577]},{"species":[{"element":"Sn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.47011636240996,0.470116362409882,0.344136444329429],"properties":{"magmom":0.0},"label":"Sn","xyz":[1.9045145388468545,2.654825085782135,-0.8135617141851711]},{"species":[{"element":"Sn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5303517693742911,0.8750118455708601,3.1477e-12],"properties":{"magmom":-0.0},"label":"Sn","xyz":[1.4766452350625812,4.930903065874329,-4.795967333467005]},{"species":[{"element":"Sn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.875011845570078,0.5303517693740071,2.4798e-12],"properties":{"magmom":-0.0},"label":"Sn","xyz":[4.197674273757776,2.978895062701906,-4.7959673337357875]},{"species":[{"element":"Sn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.12597991807651,0.125979918076076,0.6558635556650141],"properties":{"magmom":0.0},"label":"Sn","xyz":[0.5207889816004478,0.7259612656600339,3.704782236654558]},{"species":[{"element":"Sn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.494214719779186,0.9942147197791511,0.499999999999701],"properties":{"magmom":-0.0},"label":"Sn","xyz":[1.0403965259104824,5.617443004335701,-1.5995807738897996]},{"species":[{"element":"Ru","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.25159387177166004,0.5951754861262231,1.6271e-12],"properties":{"magmom":0.0},"label":"Ru","xyz":[0.35320763375599046,3.3558830315039443,-2.8896992466579627]},{"species":[{"element":"Ru","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5951754861262161,0.25159387177194503,1.7266000000000001e-12],"properties":{"magmom":0.0},"label":"Ru","xyz":[3.0657224110363135,1.4099829772737087,-2.8896992469251535]},{"species":[{"element":"Rh","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.39842371441342506,0.398423714413539,0.6358445127566911],"properties":{"magmom":-0.0},"label":"Rh","xyz":[1.6204423281194624,2.258838636211322,1.7059628730725296]},{"species":[{"element":"Rh","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.762580201654209,0.762580201653918,0.36415548724093505],"properties":{"magmom":-0.0},"label":"Rh","xyz":[3.0857416585453508,4.301413378938311,-2.670368806183936]}]} | false | -25.694205 | -25.694205 | -0.512151 | 0 | true | -0.006047 | 0 | null | null | 9.020948 | false | true | false | NM | 0.000009 | 0 | 0.000009 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250105 | Li3Tb3HgBi2 | 189 | Hexagonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[7.4273881596136935,0.0,0.0],[-3.713694079806846,6.432307531496471,0.0],[0.0,0.0,4.549593610928109]],"pbc":[true,true,true],"a":7.4273881596136935,"b":7.427388767133348,"c":4.549593610928109,"alpha":90.0,"beta":90.0,"gamma":119.9999972942593,"volume":217.35794849546744},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Li","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.767657868405727,0.7676578684057771,0.5],"properties":{"magmom":0.0},"label":"Li","xyz":[2.850846481215306,4.9378114885590065,2.2747968054640544]},{"species":[{"element":"Li","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.23234213159432202,0.0,0.5],"properties":{"magmom":0.0},"label":"Li","xyz":[1.725695197183074,0.0,2.2747968054640544]},{"species":[{"element":"Li","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.99999999999995,0.232342131594222,0.5],"properties":{"magmom":0.0},"label":"Li","xyz":[6.564540561022157,1.4944960429374583,2.2747968054640544]},{"species":[{"element":"Tb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.40698155291054405,0.406981552910238,0.0],"properties":{"magmom":-0.0},"label":"Tb","xyz":[1.5114049836356214,2.6178305079646536,0.0]},{"species":[{"element":"Tb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5930184470891501,0.0,0.0],"properties":{"magmom":-0.0},"label":"Tb","xyz":[4.404578192342453,0.0,0.0]},{"species":[{"element":"Tb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[3.055e-13,0.593018447089761,0.0],"properties":{"magmom":-0.0},"label":"Tb","xyz":[-2.2022890961712256,3.8144770235318113,0.0]},{"species":[{"element":"Hg","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.0],"properties":{"magmom":0.0},"label":"Hg","xyz":[0.0,0.0,0.0]},{"species":[{"element":"Bi","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.5],"properties":{"magmom":-0.0},"label":"Bi","xyz":[3.713697793500886,2.1441003663963327,2.2747968054640544]},{"species":[{"element":"Bi","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.5],"properties":{"magmom":-0.0},"label":"Bi","xyz":[-3.7136940419089536e-6,4.288207165100132,2.2747968054640544]}]} | false | -30.411849 | -30.411849 | -0.721652 | 0 | true | -0.061782 | 0.1138 | 4.4115 | 4.2977 | 4.409326 | false | false | false | NM | 0 | 0 | 0 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250106 | Pr2B4OsRh4 | 22 | Orthorhombic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[6.203995224962417,0.032239219387176,4.309368806931859],[4.3126759277096545,4.4653491879741924,1.347612711649055],[-0.0039031110276440003,0.00914911136064,5.656983499613725]],"pbc":[true,true,true],"a":7.553890099331634,"b":6.352525249740156,"c":5.656992244595739,"alpha":77.71314507259835,"beta":55.25516145558936,"gamma":47.03170039089183,"volume":156.09739152950206},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Pr","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8582523702724031,0.858252370278172,0.141747629727277],"properties":{"magmom":-0.0},"label":"Pr","xyz":[9.025404687444357,3.861362776002819,5.656981799393584]},{"species":[{"element":"Pr","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.141747629727596,0.141747629721827,0.858252370272722],"properties":{"magmom":-0.0},"label":"Pr","xyz":[1.487363354200058,0.6453747427191852,5.656983218801044]},{"species":[{"element":"B","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.198997945138771,0.5382125356243891,0.477921123307233],"properties":{"magmom":0.0},"label":"B","xyz":[3.5538531685904218,2.414095000897563,4.286449500666728]},{"species":[{"element":"B","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.784869395933633,0.47792112330325404,0.538212535620303],"properties":{"magmom":0.0},"label":"B","xyz":[6.928344205122301,2.1643124429277663,7.071003706570228]},{"species":[{"element":"B","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.538212535621994,0.19899794514065403,0.7848693959317711],"properties":{"magmom":0.0},"label":"B","xyz":[4.194218216291028,0.9131277222621361,7.02752169511053]},{"species":[{"element":"B","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.47792112330561304,0.7848693959317,0.19899794514069602],"properties":{"magmom":0.0},"label":"B","xyz":[6.349131006053201,3.521944378094058,4.2429664480068725]},{"species":[{"element":"Os","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.75,0.75,0.75],"properties":{"magmom":0.0},"label":"Os","xyz":[7.88457603123332,3.3800531390415065,8.48547376364598]},{"species":[{"element":"Rh","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.49816557213802704,0.49816557213834706,0.0018344278619500001],"properties":{"magmom":0.0},"label":"Rh","xyz":[5.239036341784129,2.240560485580755,2.82849076292482]},{"species":[{"element":"Rh","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.25,0.25,0.25],"properties":{"magmom":0.0},"label":"Rh","xyz":[2.628192010411107,1.126684379680502,2.82849125454866]},{"species":[{"element":"Rh","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.001834427861972,0.0018344278616520002,0.498165572138049],"properties":{"magmom":0.0},"label":"Rh","xyz":[0.01734767903807418,0.012808273780245006,2.8284917461724883]},{"species":[{"element":"Rh","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.5,0.5],"properties":{"magmom":-0.0},"label":"Rh","xyz":[5.256384020822214,2.253368759361004,5.65698250909732]}]} | false | -22.331544 | -22.331544 | -0.720319 | 0 | true | -0.029173 | 0 | null | null | 7.980692 | false | true | false | NM | 0 | 0 | 0 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250107 | Ac2B5Os3 | 5 | Monoclinic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.041461203640028,0.068086958676284,3.162622932294772],[3.313808817714453,3.7999525668587832,3.162622933572844],[0.09825860824747701,0.045488123593137,8.134977036594531]],"pbc":[true,true,true],"a":5.951735101096665,"b":5.951735226864483,"c":8.135697592057063,"alpha":57.20563900235697,"beta":57.20563661115674,"gamma":40.42179992012345,"volume":152.60059435110963},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Ac","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.38837303585972904,0.949938177814253,0.23567349112719402],"properties":{"magmom":-0.0},"label":"Ac","xyz":[5.129038051990175,3.6468835008780105,6.149772174580462]},{"species":[{"element":"Ac","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.050061822185433,0.6116269641405411,0.764326508872827],"properties":{"magmom":-0.0},"label":"Ac","xyz":[2.354301220260729,2.3623297882654115,8.310450728599438]},{"species":[{"element":"B","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.726973650106238,0.27302634989379004,0.49999999999996403],"properties":{"magmom":-0.0},"label":"B","xyz":[4.618895882949348,1.1097286657690895,7.230111450940781]},{"species":[{"element":"B","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.072149486417195,0.6404418857939901,0.31599630593160505],"properties":{"magmom":-0.0},"label":"B","xyz":[2.517090162244822,2.4529353059661467,4.824280508331332]},{"species":[{"element":"B","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.528595223434656,0.529672996560933,0.8776441736297471],"properties":{"magmom":-0.0},"label":"B","xyz":[4.506363452921474,2.088645090652844,10.486518540532755]},{"species":[{"element":"B","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.359558114206443,0.9278505135821781,0.6840036940685721],"properties":{"magmom":-0.0},"label":"B","xyz":[4.954626747670569,3.5813832037854882,9.635942394857961]},{"species":[{"element":"B","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.47032700343911604,0.47140477656550606,0.12235582637011001],"properties":{"magmom":-0.0},"label":"B","xyz":[3.9453031593681565,1.8289046629393495,3.9737043619302748]},{"species":[{"element":"Os","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8618903050720591,0.40507137258358406,0.5894438184916241],"properties":{"magmom":-0.0},"label":"Os","xyz":[5.745433550330497,1.6247481848616896,8.802033984402062]},{"species":[{"element":"Os","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.01214273186234,0.9878572681377371,0.9999999999999071],"properties":{"magmom":-0.0},"label":"Os","xyz":[3.4330458456358026,3.8001256470257605,11.297599970151344]},{"species":[{"element":"Os","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5949286274168061,0.13810969492747902,0.410556181508461],"properties":{"magmom":-0.0},"label":"Os","xyz":[3.497319397921594,0.5839926009444071,5.658188917476704]}]} | false | -33.75618 | -33.75618 | -0.459939 | 0 | true | -0.252829 | 0 | null | null | 7.800744 | false | true | false | NM | 0.000243 | 0.000002 | 0.000243 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250108 | Tm3In4AgRu | 174 | Hexagonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[8.030581367228482,0.0000205543133611,0.0],[-4.015308484172994,6.954677671168487,0.0],[0.0,0.0,3.603020543758722]],"pbc":[true,true,true],"a":8.030581367254786,"b":8.030581780476503,"c":3.603020543758722,"alpha":90.0,"beta":90.0,"gamma":119.99999829784886,"volume":201.22937276620286},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Tm","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.292487569668409,0.250101484310349,0.5],"properties":{"magmom":-0.0},"label":"Tm","xyz":[1.3446106152694646,1.7393812203404413,1.801510271879361]},{"species":[{"element":"Tm","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7498985156895871,0.042384085358129,0.5],"properties":{"magmom":-0.0},"label":"Tm","xyz":[5.851935869876686,0.2947830657021595,1.801510271879361]},{"species":[{"element":"Tm","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.9576159146420051,0.707512430331519,0.5],"properties":{"magmom":-0.0},"label":"Tm","xyz":[4.849331856917544,4.9205405844383545,1.801510271879361]},{"species":[{"element":"In","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.059015803665225006,0.393367027734143,0.0],"properties":{"magmom":-0.0},"label":"In","xyz":[-1.1055587505688476,2.7357420973858813,0.0]},{"species":[{"element":"In","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6066329722657571,0.665649775931022,0.0],"properties":{"magmom":-0.0},"label":"In","xyz":[2.198826251040136,4.629392102409993,0.0]},{"species":[{"element":"In","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33435022406901904,0.9409841963348311,0.0],"properties":{"magmom":-0.0},"label":"In","xyz":[-1.0933151474786216,6.544248651511552,0.0]},{"species":[{"element":"In","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.0],"properties":{"magmom":-0.0},"label":"In","xyz":[4.0152887653912295,2.318237275046052,0.0]},{"species":[{"element":"Ag","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.5],"properties":{"magmom":0.0},"label":"Ag","xyz":[-0.000015882335745586723,4.63646095043579,1.801510271879361]},{"species":[{"element":"Ru","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.0],"properties":{"magmom":0.0},"label":"Ru","xyz":[0.0,0.0,0.0]}]} | false | -27.510502 | -27.510502 | -0.570733 | 0 | true | -0.074345 | 0 | null | null | 6.880866 | false | true | false | NM | 0.000001 | 0 | 0.000001 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250109 | La4PRu3I2 | 156 | Trigonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.311891662847917,0.0,0.0],[-2.155945831423958,3.7342080440293612,0.0],[0.0,1e-16,17.548011142234376]],"pbc":[true,true,true],"a":4.311891662847917,"b":4.311891944857608,"c":17.548011142234376,"alpha":90.0,"beta":90.0,"gamma":119.9999978364937,"volume":282.5493107490695},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"La","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.107102263023492],"properties":{"magmom":-0.001},"label":"La","xyz":[0.0,1.07102263023492e-17,1.8794317048947544]},{"species":[{"element":"La","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.892406978071512],"properties":{"magmom":-0.001},"label":"La","xyz":[0.0,8.92406978071512e-17,15.659967594606602]},{"species":[{"element":"La","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.599984205704558],"properties":{"magmom":0.001},"label":"La","xyz":[0.0,5.99984205704558e-17,10.528529526868226]},{"species":[{"element":"La","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.404293171886955],"properties":{"magmom":0.002},"label":"La","xyz":[0.0,4.04293171886955e-17,7.094541085001564]},{"species":[{"element":"P","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.508458065414586],"properties":{"magmom":0.001},"label":"P","xyz":[-2.1559458094263176e-6,2.4894732740889074,8.922427797254091]},{"species":[{"element":"Ru","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.49398214741557206],"properties":{"magmom":0.003},"label":"Ru","xyz":[2.1559479873697662,1.2447347699404505,8.668404226913323]},{"species":[{"element":"Ru","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.0035213910001980005],"properties":{"magmom":-0.014},"label":"Ru","xyz":[2.1559479873697662,1.2447347699404505,0.06179340850763837]},{"species":[{"element":"Ru","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.99454000209046],"properties":{"magmom":-0.013000000000000001},"label":"Ru","xyz":[-2.1559458094263176e-6,2.4894732740889074,17.452199038081194]},{"species":[{"element":"I","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.253403959716806],"properties":{"magmom":-0.0},"label":"I","xyz":[-2.1559458094263176e-6,2.4894732740889074,4.446735508596823]},{"species":[{"element":"I","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.7423108156758711],"properties":{"magmom":-0.0},"label":"I","xyz":[2.1559479873697662,1.2447347699404505,13.026078464481275]}]} | false | -26.376303 | -26.376303 | -1.039086 | 0 | true | -0.001293 | 0 | null | null | 8.250735 | false | true | false | NM | 0.024438 | 0.000086 | 0.024438 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250110 | La2AlCuI | 186 | Hexagonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.387228026276267,0.0,0.0],[-2.193614013138133,3.799450812791416,0.0],[0.0,0.0,17.372584238895236]],"pbc":[true,true,true],"a":4.387228026276267,"b":4.387227930875866,"c":17.372584238895236,"alpha":90.0,"beta":90.0,"gamma":120.00000071931979,"volume":289.58459848482727},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"La","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.39126439916646605],"properties":{"magmom":0.177},"label":"La","xyz":[0.0,0.0,6.797273734200163]},{"species":[{"element":"La","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.891264399166466],"properties":{"magmom":0.177},"label":"La","xyz":[0.0,0.0,15.48356585364778]},{"species":[{"element":"La","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.611425456234563],"properties":{"magmom":0.17},"label":"La","xyz":[0.0,0.0,10.622040244239898]},{"species":[{"element":"La","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.11142545623456301],"properties":{"magmom":0.17},"label":"La","xyz":[0.0,0.0,1.9357481247922803]},{"species":[{"element":"Al","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.5059171749271051],"properties":{"magmom":-0.028},"label":"Al","xyz":[-2.1936139907487638e-6,2.5329684750112,8.78908873932503]},{"species":[{"element":"Al","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.005917174927105],"properties":{"magmom":-0.028},"label":"Al","xyz":[2.1936162067521225,1.2664823377802128,0.1027966198774104]},{"species":[{"element":"Cu","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.49225464238375505],"properties":{"magmom":0.013000000000000001},"label":"Cu","xyz":[2.1936162067521225,1.2664823377802128,8.551735241799033]},{"species":[{"element":"Cu","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.992254642383755],"properties":{"magmom":0.013000000000000001},"label":"Cu","xyz":[-2.1936139907487638e-6,2.5329684750112,17.23802736124665]},{"species":[{"element":"I","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.2491383272881],"properties":{"magmom":0.004},"label":"I","xyz":[-2.1936139907487638e-6,2.5329684750112,4.328176577949969]},{"species":[{"element":"I","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.7491383272881],"properties":{"magmom":0.004},"label":"I","xyz":[2.1936162067521225,1.2664823377802128,13.014468697397588]}]} | false | -21.144016 | -21.144016 | -0.818589 | 0 | true | -0.003031 | 0 | null | null | 7.226759 | false | true | false | NM | 1.999831 | 0.006906 | 0.999915 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250111 | Yb(RuC)2 | 70 | Orthorhombic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.497125950910409,0.060075987943857004,3.603636479120493],[3.120733278902853,4.510077033614944,1.765504632541032],[0.013280181873260001,-0.024868687843336002,5.369141105376117]],"pbc":[true,true,true],"a":6.573294358093819,"b":5.76166448647581,"c":5.369215121812974,"alpha":72.29401654686528,"beta":56.616357470765045,"gamma":51.08963823400705,"volume":131.85486417059744},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Yb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.0],"properties":{"magmom":-0.0},"label":"Yb","xyz":[0.0,0.0,0.0]},{"species":[{"element":"Yb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.24999900000000203,0.25,0.25],"properties":{"magmom":-0.0},"label":"Yb","xyz":[2.1577793557956904,1.1363210233528784,2.684566950622939]},{"species":[{"element":"Ru","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6357317199893651,0.6357327199904931,0.364268280010669],"properties":{"magmom":-0.0},"label":"Ru","xyz":[5.48348714054141,2.896336876945477,5.369142874878757]},{"species":[{"element":"Ru","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.885730719989361,0.8857327199904931,0.614268280010669],"properties":{"magmom":-0.0},"label":"Ru","xyz":[7.641266496337067,4.0326579002983545,8.053709825501674]},{"species":[{"element":"Ru","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.364267280010636,0.36426728000950703,0.635733719989332],"properties":{"magmom":-0.0},"label":"Ru","xyz":[3.147646800579531,1.6489473469566247,5.369146476804626]},{"species":[{"element":"Ru","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.614267280010636,0.6142692800095091,0.8857327199893271],"properties":{"magmom":-0.0},"label":"Ru","xyz":[5.305437881687544,2.785277475408255,8.053715192932174]},{"species":[{"element":"C","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.316269154373266,0.6837308456262431,0.316269154373088],"properties":{"magmom":-0.0},"label":"C","xyz":[3.8765130916269537,3.0948137670636053,4.044942754391513]},{"species":[{"element":"C","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.566268154373268,0.9337318456262401,0.566270154373086],"properties":{"magmom":-0.0},"label":"C","xyz":[6.034295581436096,4.231139275624816,6.729516839660174]},{"species":[{"element":"C","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.683729845626736,0.316271154373758,0.6837298456269131],"properties":{"magmom":-0.0},"label":"C","xyz":[4.754627051120008,1.4504795515986315,6.693334020877824]},{"species":[{"element":"C","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.9337298456267361,0.566270154373754,0.933731845626908],"properties":{"magmom":-0.0},"label":"C","xyz":[6.912408809868711,2.5867960752130705,9.37791354791478]}]} | false | -21.597305 | -21.597305 | -0.142721 | 0.146244 | false | null | 0 | null | null | 8.742052 | false | true | false | NM | 0.000001 | 0 | 0.000001 | 0 | 0 | [
"Ru3+",
"C4-",
"Yb2+"
] | true | null | null | null | null | null | null | null | false | false | false | true | true |
mp-3250112 | Ba2NaPuO6 | 225 | Cubic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.226866581045134,-2.4103392000000003e-9,3.017733423517287],[1.742288858075887,4.9279364529363585,3.017733423517287],[-6.8174686000000004e-9,-4.8206776000000004e-9,6.03546587072888]],"pbc":[true,true,true],"a":6.035465953135666,"b":6.035465447218443,"c":6.03546587072888,"alpha":59.999992392478276,"beta":59.99999516535647,"gamma":59.9999940040261,"volume":155.45951639900372},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Ba","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.25,0.25,0.25],"properties":{"magmom":0.003},"label":"Ba","xyz":[1.7422888580758882,1.2319841114263355,3.0177331794408637]},{"species":[{"element":"Ba","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.75,0.75,0.75],"properties":{"magmom":0.003},"label":"Ba","xyz":[5.226866574227665,3.695952334279006,9.053199538322591]},{"species":[{"element":"Na","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.5,0.5],"properties":{"magmom":-0.004},"label":"Na","xyz":[3.4845777161517764,2.463968222852671,6.0354663588817274]},{"species":[{"element":"Pu","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.0],"properties":{"magmom":1.3940000000000001},"label":"Pu","xyz":[0.0,0.0,0.0]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7665889528779241,0.233411047118316,0.766588952878954],"properties":{"magmom":-0.062},"label":"O","xyz":[4.413527640715875,1.150234802069178,7.644454885484657]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.23341104712307703,0.23341104711923302,0.7665889528806811],"properties":{"magmom":-0.062},"label":"O","xyz":[1.6266778633758316,1.1502348033588365,6.035466098620496]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7665889528769221,0.766588952880766,0.233411047119318],"properties":{"magmom":-0.062},"label":"O","xyz":[5.342477568927714,3.7777016423465004,6.035466619142946]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.766588952879757,0.233411047120149,0.233411047122963],"properties":{"magmom":-0.062},"label":"O","xyz":[4.413527644363573,1.1502348046484894,4.426477832278737]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.23341104712207503,0.766588952881683,0.23341104712104502],"properties":{"magmom":-0.062},"label":"O","xyz":[2.5556277915876704,3.777701643636159,4.426477832278785]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.23341104712024202,0.7665889528798501,0.7665889528770361],"properties":{"magmom":-0.062},"label":"O","xyz":[2.5556277879399723,3.7777016410568476,7.6444548854847065]}]} | false | -20.697064 | -20.697064 | -2.821574 | 0 | true | -0.109432 | 2.2528 | 4.6918 | 2.439 | 2.531934 | false | false | true | FM | 0.999986 | 0.006432 | 0.999986 | 1 | 1 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250113 | La2Er2CoI5 | 12 | Monoclinic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[9.432838250938227,-0.023311263933182003,2.212327663763824],[8.458531538239557,4.175188299380248,2.212327664530826],[0.038785565574246006,0.009000245334542,8.978639565992323]],"pbc":[true,true,true],"a":9.688827306503311,"b":9.68882587385713,"c":8.978727848671872,"alpha":76.55340236131765,"beta":76.55340336851464,"gamma":25.702960570839586,"volume":355.00436814788196},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"La","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.869107746591495,0.8691077466135011,0.06796861099098],"properties":{"magmom":-0.0},"label":"La","xyz":[15.552164282112175,3.6090402286682224,4.455767881756054]},{"species":[{"element":"La","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.13089225340850402,0.13089225338649801,0.932031389009019],"properties":{"magmom":-0.0},"label":"La","xyz":[2.377991072639838,0.5518370521133817,8.947527012530907]},{"species":[{"element":"Er","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5000709832164101,0.500070983215906,0.209180089401222],"properties":{"magmom":-0.0},"label":"Er","xyz":[8.955068049632544,2.078115903431256,4.090794367528542]},{"species":[{"element":"Er","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.49992901678358903,0.49992901678410806,0.7908199105987771],"properties":{"magmom":-0.0},"label":"Er","xyz":[8.975087305119597,2.0827613773504106,9.312500526758452]},{"species":[{"element":"Co","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.0],"properties":{"magmom":0.0},"label":"Co","xyz":[0.0,0.0,0.0]},{"species":[{"element":"I","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6690565979412281,0.66905659793602,0.182389680687066],"properties":{"magmom":0.0},"label":"I","xyz":[11.977413090532057,2.779482276257453,4.597956044445421]},{"species":[{"element":"I","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33094340205877104,0.33094340206397904,0.817610319312933],"properties":{"magmom":0.0},"label":"I","xyz":[5.952742264219957,1.3813950045241508,8.80533884984154]},{"species":[{"element":"I","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.664624720335083,0.6646247203346001,0.6493396108813051],"properties":{"magmom":0.0},"label":"I","xyz":[11.916231646597545,2.765284329351011,8.770921632170843]},{"species":[{"element":"I","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33537527966491604,0.33537527966539904,0.350660389118694],"properties":{"magmom":0.0},"label":"I","xyz":[6.0139237081544685,1.395592951430593,4.6323732621161176]},{"species":[{"element":"I","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.5],"properties":{"magmom":0.0},"label":"I","xyz":[0.019392782787123003,0.004500122667271,4.489319782996161]}]} | false | -27.616713 | -27.616713 | -1.279905 | 0 | true | -0.024922 | 0 | null | null | 5.511399 | false | true | false | NM | 0.000022 | 0 | 0.000022 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250114 | Nd5ZnTe4 | 12 | Monoclinic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[6.858142914482296,-0.021820820112464,3.764633608355065],[5.468754320985765,4.138517988490958,3.7646336078295293],[0.005513482368489001,0.0018413495942350001,11.068852605838297]],"pbc":[true,true,true],"a":7.82349452539021,"b":7.823494817890742,"c":11.06885413215069,"alpha":61.20795413173602,"beta":61.207953152911585,"gamma":32.55894292521428,"volume":315.3871302579836},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Nd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.5],"properties":{"magmom":-0.0},"label":"Nd","xyz":[0.0027567411842445004,0.0009206747971175001,5.534426302919148]},{"species":[{"element":"Nd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.591388065974221,0.591388065974896,0.09422949572176201],"properties":{"magmom":-0.0},"label":"Nd","xyz":[7.290499448213374,2.4347390860554152,5.495731176451709]},{"species":[{"element":"Nd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.188915024536456,0.188915024537351,0.720252659218061],"properties":{"magmom":0.0},"label":"Nd","xyz":[2.332707194039171,0.779032183518884,9.394762224738214]},{"species":[{"element":"Nd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8110849754635431,0.811084975462648,0.279747340781938],"properties":{"magmom":0.0},"label":"Nd","xyz":[9.999703523797368,3.3395063344538407,9.20335759728466]},{"species":[{"element":"Nd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.40861193402577806,0.40861193402510304,0.905770504278237],"properties":{"magmom":-0.0},"label":"Nd","xyz":[5.0419112696231645,1.6837994319173097,13.102388645571164]},{"species":[{"element":"Zn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.0],"properties":{"magmom":0.0},"label":"Zn","xyz":[0.0,0.0,0.0]},{"species":[{"element":"Te","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6064863322614961,0.606486332261788,0.5913483379951571],"properties":{"magmom":0.0},"label":"Te","xyz":[7.479355081140168,2.4978094457045863,11.11194525053746]},{"species":[{"element":"Te","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.19600433950673501,0.19600433950703403,0.19707495919725201],"properties":{"magmom":0.0},"label":"Te","xyz":[2.417211920119755,0.8072533933346622,3.6571627233350794]},{"species":[{"element":"Te","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8039956604932641,0.8039956604929651,0.8029250408027481],"properties":{"magmom":0.0},"label":"Te","xyz":[9.915198797716785,3.3112851246380632,14.940957098687806]},{"species":[{"element":"Te","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.39351366773850305,0.393513667738211,0.40865166200484204],"properties":{"magmom":0.0},"label":"Te","xyz":[4.853055636696371,1.6207290722681384,7.4861745714854155]}]} | false | -27.192213 | -27.192213 | -1.425259 | 0 | true | -0.030713 | 0 | null | null | 5.373292 | false | true | false | NM | 0.000009 | 0 | 0.000009 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250115 | Nd2TaGa6 | 225 | Cubic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.510536874077958,5.2736886e-9,3.181510400405299],[1.8368449679650292,5.19538354014732,3.181510400405299],[0.0,0.0,6.363020800810598]],"pbc":[true,true,true],"a":6.3630201216450635,"b":6.363019565698289,"c":6.363020800810598,"alpha":59.999993578962446,"beta":59.99999646918995,"gamma":60.000000624628775,"volume":182.16916587384335},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Nd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.25,0.25,0.25],"properties":{"magmom":-0.0},"label":"Nd","xyz":[1.8368454605107467,1.2988458863552523,3.181510400405299]},{"species":[{"element":"Nd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.750000999999997,0.750000999999997,0.750000999999997],"properties":{"magmom":-0.0},"label":"Nd","xyz":[5.510543728914061,3.8965428544492866,9.544543927257461]},{"species":[{"element":"Ta","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.0],"properties":{"magmom":0.0},"label":"Ta","xyz":[0.0,0.0,0.0]},{"species":[{"element":"Ga","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7102403497877461,0.28975965021287203,0.28975965021125905],"properties":{"magmom":0.0},"label":"Ga","xyz":[4.446049192376223,1.5054125210603868,5.025257081937109]},{"species":[{"element":"Ga","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.28975965021225303,0.710240349787127,0.289759650211877],"properties":{"magmom":0.0},"label":"Ga","xyz":[2.9013326496667577,3.6899710243606174,5.025257081937103]},{"species":[{"element":"Ga","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7102393497874211,0.7102393497861851,0.289760650213196],"properties":{"magmom":0.0},"label":"Ga","xyz":[5.218399702130245,3.6899658311896624,6.363020800810592]},{"species":[{"element":"Ga","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.28975965021258004,0.289759650213817,0.7102403497868011],"properties":{"magmom":0.0},"label":"Ga","xyz":[2.12897479253091,1.505412518847812,6.363020800810595]},{"species":[{"element":"Ga","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.710239349787748,0.289760650212869,0.7102393497881251],"properties":{"magmom":0.0},"label":"Ga","xyz":[4.446045518684322,1.505417716443906,7.700778156663296]},{"species":[{"element":"Ga","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.289760650212251,0.7102393497871301,0.710239349788743],"properties":{"magmom":0.0},"label":"Ga","xyz":[2.901336323358658,3.6899658289770985,7.700778156663296]}]} | false | -20.199904 | -20.199904 | -0.634958 | 0 | true | -0.009243 | 0 | null | null | 5.353919 | false | true | false | NM | 0.000004 | 0 | 0.000004 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250116 | Ce(TmCo)4 | 12 | Monoclinic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.421985288619032,-0.033545705664595,1.773782598599173],[4.037768406485469,3.618765924142218,1.773782599103898],[-0.015132058013462001,-0.005735345033260001,8.955835245110373]],"pbc":[true,true,true],"a":5.704853590712296,"b":5.704852778733985,"c":8.95584986536306,"alpha":71.98158785830434,"beta":71.98158908084339,"gamma":40.03710475578102,"volume":177.04668801497053},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Ce","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.5,0.5],"properties":{"magmom":-0.23700000000000002},"label":"Ce","xyz":[4.72231081854552,1.7897424367221817,6.251700221406722]},{"species":[{"element":"Tm","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7321858172972141,0.732185817297448,0.6786558124341441],"properties":{"magmom":-0.147},"label":"Tm","xyz":[6.916028031556448,2.621155070614244,8.675406567992512]},{"species":[{"element":"Tm","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.267814182702785,0.26781418270255103,0.32134418756585603],"properties":{"magmom":-0.147},"label":"Tm","xyz":[2.5285936055345823,0.9583298028301154,3.827993874820929]},{"species":[{"element":"Tm","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.389907328073398,0.38990732807522405,0.9013986060361311],"properties":{"magmom":-0.27},"label":"Tm","xyz":[3.6747872714982304,1.3927338039298254,9.455999073237562]},{"species":[{"element":"Tm","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.610092671926601,0.610092671924775,0.09860139396386801],"properties":{"magmom":-0.27},"label":"Tm","xyz":[5.769834365592799,2.1867510695145342,3.04740136957587]},{"species":[{"element":"Co","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.031191441463697,0.031191441459711002,0.639203662716603],"properties":{"magmom":0.262},"label":"Co","xyz":[0.2853908867191039,0.10816213301248008,5.835256363556731]},{"species":[{"element":"Co","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.9688085585363021,0.968808558540288,0.36079633728339605],"properties":{"magmom":0.262},"label":"Co","xyz":[9.159230750371925,3.4713227404318796,6.668144079256702]},{"species":[{"element":"Co","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.08983036552930901,0.08983036553415501,0.8772079035538881],"properties":{"magmom":1.064},"label":"Co","xyz":[0.836499171381591,0.31703055275366626,8.17480853839461]},{"species":[{"element":"Co","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.9101696344706901,0.9101696344658451,0.12279209644611201],"properties":{"magmom":1.064},"label":"Co","xyz":[8.608122465709442,3.262454320690697,4.3285919044188335]}]} | false | -25.078365 | -25.078365 | -0.160393 | 0 | true | -0.029597 | 0 | null | null | 5.82767 | false | true | true | FiM | 1.367452 | 0.007724 | 1.367452 | 9 | 5 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250117 | Li4PuO5 | 87 | Tetragonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.086265230266765,0.009482439220622,-0.922875203425743],[-3.544447828050589,3.648033889058977,-0.9222938698787271],[-0.0037537973038380005,-0.009730907547611,5.169310316098234]],"pbc":[true,true,true],"a":5.169321285272594,"b":5.169321777942555,"c":5.169320837951106,"alpha":100.32590153363196,"beta":100.32589519065824,"gamma":129.9042036498384,"volume":95.9995271722035},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Li","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.41367726623202805,0.8104985884082361,0.224174854641837],"properties":{"magmom":-0.0},"label":"Li","xyz":[-0.7695391724988113,2.958467562296688,0.02953901784910436]},{"species":[{"element":"Li","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5863227337679711,0.189501411591763,0.775825145358162],"properties":{"magmom":-0.0},"label":"Li","xyz":[2.307602777411148,0.6893178584352967,3.2946022249446565]},{"species":[{"element":"Li","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.18950141159130102,0.41367726623313605,0.603178677823763],"properties":{"magmom":-0.0},"label":"Li","xyz":[-0.504667257445186,1.5050361460207964,2.5615996011980724]},{"species":[{"element":"Li","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.810498588408698,0.5863227337668631,0.39682132217623606],"properties":{"magmom":-0.0},"label":"Li","xyz":[2.042730862357522,2.1427492747111883,0.7625416415956885]},{"species":[{"element":"Pu","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.0],"properties":{"magmom":2.511},"label":"Pu","xyz":[0.0,0.0,0.0]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.712518749220578,0.9121523838542841,0.624670133079085],"properties":{"magmom":-0.1},"label":"O","xyz":[0.3886379192089657,3.328240616706652,1.7302753254285004]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.08784761614037201,0.7125187492198101,0.8003663653666061],"properties":{"magmom":-0.1},"label":"O","xyz":[-2.0816736706852783,2.5923372623189094,3.399118047952544]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.5,0.0],"properties":{"magmom":-0.083},"label":"O","xyz":[0.770908701108088,1.8287581641397994,-0.922584536652235]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.28748125077942105,0.08784761614571501,0.375329866920914],"properties":{"magmom":-0.1},"label":"O","xyz":[1.1494256857033704,0.3195448040253326,1.5938659173652605]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.912152383859627,0.28748125078018905,0.199633634633393],"properties":{"magmom":-0.1},"label":"O","xyz":[3.619737275597614,1.0554481584130755,-0.07497680515878294]}]} | false | -15.097748 | -15.097748 | -2.521164 | 0 | true | -0.191441 | 0 | null | null | 4.944754 | false | true | true | FM | 1.999853 | 0.020832 | 1.999853 | 1 | 1 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250118 | DyAg(CO3)2 | 148 | Trigonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.651887424454353,-0.004037027555601,4.184652266720395],[1.8618113718603762,4.263061990674156,4.184657609771786],[-0.006178308777348001,-0.004048056276070001,6.257104231337202]],"pbc":[true,true,true],"a":6.257106959350797,"b":6.2571078328362075,"c":6.257108591040823,"alpha":48.08329080908576,"beta":48.08327955024554,"gamma":48.08330712259555,"volume":124.29102854569223},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Dy","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.0],"properties":{"magmom":0.0},"label":"Dy","xyz":[0.0,0.0,0.0]},{"species":[{"element":"Ag","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.5,0.5],"properties":{"magmom":0.0},"label":"Ag","xyz":[3.2537602437686908,2.1274884534212424,7.313207053914692]},{"species":[{"element":"C","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.254969398732839,0.254969398732249,0.254969398730494],"properties":{"magmom":0.0},"label":"C","xyz":[1.6592185859479536,1.0848889035572378,3.72928801067363]},{"species":[{"element":"C","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.74503060126716,0.74503060126775,0.745030601269505],"properties":{"magmom":0.0},"label":"C","xyz":[4.848301901589421,3.1700880032852425,10.897126097155738]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.018180289989068,0.22587983361270803,0.5213307356843371],"properties":{"magmom":-0.0},"label":"O","xyz":[0.5018973630069683,0.9607559626459883,4.283328708510393]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.47866926427147405,0.98181971006548,0.7741201663881221],"properties":{"magmom":-0.0},"label":"O","xyz":[4.049895878835137,4.180492204667004,10.955394311563024]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.774120166436006,0.47866926426982503,0.9818197100313951],"properties":{"magmom":-0.0},"label":"O","xyz":[4.486245761505506,2.033497140730243,11.385838950528694]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.22587983356399302,0.5213307357301741,0.018180289968604],"properties":{"magmom":-0.0},"label":"O","xyz":[2.0212747260318684,2.2214797661122376,3.240575157300675]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5213307357285261,0.01818028993452,0.22587983361187702],"properties":{"magmom":-0.0},"label":"O","xyz":[2.4576246087022438,0.07448470217548012,3.6710197962663527]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.981819710010931,0.7741201663872911,0.47866926431566204],"properties":{"magmom":-0.0},"label":"O","xyz":[6.005623124530406,3.2942209441964927,10.343085399318976]}]} | false | -12.829536 | -12.829536 | -1.922801 | 0 | true | -0.02251 | 3.4562 | 5.3767 | 1.9205 | 1.962468 | false | false | false | NM | 0 | 0 | 0 | 0 | 0 | [
"O2-",
"Ag+",
"C4+",
"Dy3+"
] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250119 | CeThC2Se | 5 | Monoclinic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[7.343126395756408,0.022081411826668,1.4607686464264051],[6.13197702341543,4.039908621441191,1.4607686487543121],[0.015363753432290001,0.004631558994115,6.796278738567063]],"pbc":[true,true,true],"a":7.4870446700407225,"b":7.487045407266682,"c":6.796297682456011,"alpha":78.61943632400582,"beta":78.61943635911436,"gamma":32.5495876797831,"volume":200.5968118057087},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Ce","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.142648519241468,0.56500042257128,0.65176764966695],"properties":{"magmom":0.73},"label":"Ce","xyz":[4.522069313849313,2.2887186592833535,5.463306008109472]},{"species":[{"element":"Ce","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.434999577429373,0.857351480756904,0.848232350332473],"properties":{"magmom":0.73},"label":"Ce","xyz":[8.464548492840844,3.477155681700114,7.652649395899689]},{"species":[{"element":"Th","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8529678820337311,0.434400915034281,0.34904394746795403],"properties":{"magmom":-0.026000000000000002},"label":"Th","xyz":[8.93255002438111,1.7753913545212783,4.252747935157849]},{"species":[{"element":"Th","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.565599084966741,0.14703211796665902,0.150956052532414],"properties":{"magmom":-0.026000000000000002},"label":"Th","xyz":[5.057182390880827,0.6071847091890238,2.0669287283365785]},{"species":[{"element":"C","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.35764868443561604,0.08572583401021901,0.466361176934988],"properties":{"magmom":-0.004},"label":"C","xyz":[3.1590933976833355,0.35638190309194834,3.8171881466660142]},{"species":[{"element":"C","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.9142741659903281,0.6423513155644961,0.033638823064897],"properties":{"magmom":-0.004},"label":"C","xyz":[10.65303108782724,2.615384882318332,2.5024885171654043]},{"species":[{"element":"C","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.646496845306991,0.9072073350409291,0.525345489141493],"properties":{"magmom":-0.018000000000000002},"label":"C","xyz":[10.318353862053868,3.6817434659776525,5.839996732840216]},{"species":[{"element":"C","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.09279266495851601,0.35350315469236104,0.9746545108584851],"properties":{"magmom":-0.018000000000000002},"label":"C","xyz":[2.864035841254387,1.4346836052636927,7.2759586707961]},{"species":[{"element":"Se","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.21151793653351803,0.7884820634669081,0.25000000000030503],"properties":{"magmom":-0.006},"label":"Se","xyz":[6.391997777847548,3.1912239904655557,3.159838332906379]},{"species":[{"element":"Se","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7810546391037221,0.21894536089593603,0.7500000000000421],"properties":{"magmom":-0.012},"label":"Se","xyz":[7.089473674402033,0.9052397094988102,6.557977700861173]}]} | false | -28.839143 | -28.839143 | -1.134759 | 0 | true | -0.037933 | 0 | null | null | 7.114043 | false | true | true | FM | 1.393683 | 0.006948 | 0.696842 | 2 | 1 | [
"C2-",
"Th4+",
"C3-",
"Se2-",
"Ce3+"
] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250120 | Pa2BIr5Rh | 107 | Tetragonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.083583962104066,0.011050200031888,2.922196268335215],[1.713673914213466,4.786050010922074,2.9221962683352163],[-2.8584703e-9,-2.0173383000000003e-9,5.844391546828638]],"pbc":[true,true,true],"a":5.863631898180058,"b":5.863632323225524,"c":5.844391546828638,"alpha":60.10848222624934,"beta":60.108479838824906,"gamma":59.783031050684414,"volume":142.085052219355},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Pa","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7502048116207971,0.75020481162057,0.749795188379188],"properties":{"magmom":0.0},"label":"Pa","xyz":[5.099335562497117,3.5988076585711255,8.766588062826283]},{"species":[{"element":"Pa","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.250204811620797,0.25020481162057,0.24979518837918802],"properties":{"magmom":0.0},"label":"Pa","xyz":[1.7007066257675856,1.200257554102814,2.9221960210767475]},{"species":[{"element":"B","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.9982278171356641,0.9982278171362601,0.001772182864371],"properties":{"magmom":0.0},"label":"B","xyz":[6.785211892380604,4.788598872160885,5.844392534918197]},{"species":[{"element":"Ir","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.256747110706506,0.74382228651612,0.25617771348324603],"properties":{"magmom":-0.0},"label":"Ir","xyz":[2.5798643427851644,3.5628077689186775,4.421063021941746]},{"species":[{"element":"Ir","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7438222865167741,0.25674711070679,0.256177713482777],"properties":{"magmom":-0.0},"label":"Ir","xyz":[4.221263871827874,1.237023896539833,4.4210630219417455]},{"species":[{"element":"Ir","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.256793139073948,0.25679313907490103,0.7432068609261221],"properties":{"magmom":-0.0},"label":"Ir","xyz":[1.7454891850318952,1.2318624201284278,5.844391801016414]},{"species":[{"element":"Ir","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.743822286516234,0.25674711070625,0.743252889293977],"properties":{"magmom":-0.0},"label":"Ir","xyz":[4.221263870431914,1.2370238955546469,7.26772106211964]},{"species":[{"element":"Ir","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.256747110705973,0.743822286515587,0.7432528892944461],"properties":{"magmom":-0.0},"label":"Ir","xyz":[2.5798643413892512,3.562807767933525,7.267721062119682]},{"species":[{"element":"Rh","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7434286261032951,0.743428626102947,0.256571373896683],"properties":{"magmom":-0.0},"label":"Rh","xyz":[5.053276083526545,3.566301618590074,5.844392282704217]}]} | false | -50.567442 | -50.567442 | -0.901732 | 0 | true | -0.00467 | 0 | null | null | 11.073839 | false | true | false | NM | 0.000257 | 0.000002 | 0.000257 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250121 | NpTaBRu6 | 216 | Cubic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.901939332335914,-1.3976391e-9,2.830135404592403],[1.633980108139796,4.621592877842491,2.830135404592403],[0.0,0.0,5.660270809184807]],"pbc":[true,true,true],"a":5.660271691909256,"b":5.660271913137069,"c":5.660270809184807,"alpha":60.00000645171228,"beta":60.00000515881403,"gamma":60.000001398009665,"volume":128.23212147977335},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Np","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.25,0.25,0.25],"properties":{"magmom":2.383},"label":"Np","xyz":[1.6339798601189275,1.1553982191112129,2.8301354045924034]},{"species":[{"element":"Ta","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.75,0.75,0.75],"properties":{"magmom":0.012},"label":"Ta","xyz":[4.901939580356783,3.466194657333639,8.49040621377721]},{"species":[{"element":"B","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.0],"properties":{"magmom":0.015},"label":"B","xyz":[0.0,0.0,0.0]},{"species":[{"element":"Ru","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.742010358415853,0.257989641584082,0.257989641584494],"properties":{"magmom":-0.271},"label":"Ru","xyz":[4.058839703373844,1.1923230890650676,4.290426641924982]},{"species":[{"element":"Ru","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.257989641584146,0.74201035841591,0.257989641584423],"properties":{"magmom":-0.271},"label":"Ru","xyz":[2.477079737101848,3.4292697873797473,4.290426641924922]},{"species":[{"element":"Ru","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.74201035841591,0.742010358416045,0.257989641584018],"properties":{"magmom":-0.271},"label":"Ru","xyz":[4.849719926605116,3.429269786703885,5.66027080918478]},{"species":[{"element":"Ru","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.25798964158408905,0.25798964158395404,0.7420103584159811],"properties":{"magmom":-0.271},"label":"Ru","xyz":[1.6861995138705876,1.1923230897409625,5.660270809184821]},{"species":[{"element":"Ru","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.742010358415853,0.257989641584082,0.742010358415576],"properties":{"magmom":-0.271},"label":"Ru","xyz":[4.058839703373844,1.1923230890650676,7.03011497644466]},{"species":[{"element":"Ru","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.257989641584146,0.74201035841591,0.7420103584155051],"properties":{"magmom":-0.271},"label":"Ru","xyz":[2.477079737101848,3.4292697873797473,7.030114976444601]}]} | false | -32.736601 | -32.736601 | -0.346644 | 0 | true | -0.101383 | 0 | null | null | 11.631628 | false | true | true | FiM | 0.782385 | 0.006101 | 0.782385 | 7 | 2 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250122 | Pr2PIrPt7 | 6 | Monoclinic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[9.109968795466278,-0.014525410928934002,0.0],[-7.5252674887535385,5.201148107171378,0.0],[0.0,0.0,4.269211750480647]],"pbc":[true,true,true],"a":9.109980375496534,"b":9.147764339445096,"c":4.269211750480647,"alpha":90.0,"beta":90.0,"gamma":145.44075927399487,"volume":201.81840163174738},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Pr","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6136028410075051,0.36890888678902906,0.5],"properties":{"magmom":0.0},"label":"Pr","xyz":[2.813764682322087,1.9098369248286633,2.1346058752403234]},{"species":[{"element":"Pr","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.372101083331202,0.619472765584106,0.5],"properties":{"magmom":-0.0},"label":"Pr","xyz":[-1.2718690051118675,3.2165646810195048,2.1346058752403234]},{"species":[{"element":"P","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.22630438595103902,0.22113851563606302,0.0],"properties":{"magmom":0.0},"label":"P","xyz":[0.3974994120638417,1.1468870078222384,0.0]},{"species":[{"element":"Ir","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.112566045742561,0.8911331237705931,0.0],"properties":{"magmom":0.0},"label":"Ir","xyz":[-5.680541960318466,4.633280291866082,0.0]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8932308913140331,0.110969876409925,0.0],"properties":{"magmom":0.0},"label":"Pt","xyz":[7.3022275438387645,0.5641962168917689,0.0]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.489009750663484,0.9873605923311211,0.0],"properties":{"magmom":0.0},"label":"Pt","xyz":[-2.9752889959227375,5.128305608321979,0.0]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.9845354095696731,0.49031539086028103,0.0],"properties":{"magmom":0.0},"label":"Pt","xyz":[5.279332389134978,2.5359021856918593,0.0]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.18971324867732803,0.7932769394315351,0.5],"properties":{"magmom":-0.0},"label":"Pt","xyz":[-4.241339386345048,4.123195189091332,2.1346058752403234]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7927808245216421,0.194323955882296,0.5],"properties":{"magmom":0.0},"label":"Pt","xyz":[5.759868825549168,0.9991922080625023,2.1346058752403234]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.004976869491088,0.003587094232756,0.5],"properties":{"magmom":-0.0},"label":"Pt","xyz":[0.01834528215406577,0.01858471730444651,2.1346058752403234]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.634776649730412,0.633109859072284,0.0],"properties":{"magmom":-0.0},"label":"Pt","xyz":[1.0184744318486882,3.283677753459922,0.0]}]} | false | -44.633867 | -44.633867 | -0.94447 | 0 | true | -0.010048 | 0 | null | null | 8.382418 | false | true | false | NM | 0.000002 | 0 | 0.000002 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250123 | Pr3Mg3CuSi2 | 189 | Hexagonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[7.405602729504349,-5.1182245e-9,0.0],[-3.7027998735821233,6.4134419149408775,0.0],[0.0,0.0,4.41882554573816]],"pbc":[true,true,true],"a":7.405602729504349,"b":7.405603560826106,"c":4.41882554573816,"alpha":90.0,"beta":90.0,"gamma":119.99998300453782,"volume":209.87389978039477},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Pr","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[2.984e-13,0.5879579904380351,0.0],"properties":{"magmom":0.0},"label":"Pr","xyz":[-2.177090772663346,3.770834420099702,0.0]},{"species":[{"element":"Pr","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.587957990437821,1.9180000000000003e-13,0.0],"properties":{"magmom":0.0},"label":"Pr","xyz":[4.3541832988195095,-3.0080708934703357e-9,0.0]},{"species":[{"element":"Pr","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.41204200956187903,0.41204200956177306,0.0],"properties":{"magmom":0.0},"label":"Pr","xyz":[1.5257103297660513,2.6426074927310217,0.0]},{"species":[{"element":"Mg","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.9999999999997721,0.24292561370937402,0.5],"properties":{"magmom":-0.0},"label":"Mg","xyz":[6.506097797769732,1.557989308058211,2.20941277286908]},{"species":[{"element":"Mg","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.757074386290689,0.7570743862907671,0.5],"properties":{"magmom":-0.0},"label":"Mg","xyz":[2.803297199702441,4.85545259789047,2.20941277286908]},{"species":[{"element":"Mg","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.24292561370953702,0.9999999999998571,0.5],"properties":{"magmom":-0.0},"label":"Mg","xyz":[-1.9037892856277276,6.413441913696613,2.20941277286908]},{"species":[{"element":"Cu","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.0],"properties":{"magmom":-0.0},"label":"Cu","xyz":[0.0,0.0,0.0]},{"species":[{"element":"Si","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.5],"properties":{"magmom":-0.0},"label":"Si","xyz":[-2.7086874628764322e-6,4.275630079401791,2.20941277286908]},{"species":[{"element":"Si","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.5],"properties":{"magmom":-0.0},"label":"Si","xyz":[3.702805564609686,2.1378118304208558,2.20941277286908]}]} | false | -14.851162 | -14.851162 | -0.50515 | 0 | true | -0.035679 | 0.0721 | 4.2861 | 4.214 | 4.259532 | true | false | false | NM | 0 | 0 | 0 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250124 | TmBeRe2C | 63 | Orthorhombic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.620192205510318,-0.036806416145582006,0.0],[-4.3754879165993055,3.527464836392126,0.0],[0.0,0.0,7.242873539982028]],"pbc":[true,true,true],"a":5.620312726098826,"b":5.620311617720984,"c":7.242873539982028,"alpha":90.0,"beta":90.0,"gamma":141.49988709884047,"volume":142.42375193637068},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Tm","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.535341053417241,0.464658946583462,0.25],"properties":{"magmom":0.0},"label":"Tm","xyz":[0.9756100095895609,1.6193641093962803,1.810718384995507]},{"species":[{"element":"Tm","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.464658946582758,0.535341053416537,0.75],"properties":{"magmom":0.0},"label":"Tm","xyz":[0.2690942793214508,1.8712943108502604,5.432155154986521]},{"species":[{"element":"Be","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.25564330968119003,0.744356690318937,0.25],"properties":{"magmom":0.0},"label":"Be","xyz":[-1.8201591676692754,2.616282736792314,1.810718384995507]},{"species":[{"element":"Be","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.744356690318809,0.255643309681062,0.75],"properties":{"magmom":0.0},"label":"Be","xyz":[3.0648634565802872,0.8743756834542269,5.432155154986521]},{"species":[{"element":"Re","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8209949815193691,0.17900501848355702,0.06299509119841601],"properties":{"magmom":-0.0},"label":"Re","xyz":[3.8309153005128076,0.6012160252952337,0.45626547918976207]},{"species":[{"element":"Re","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.17900501848063002,0.820994981516442,0.937004908801583],"properties":{"magmom":-0.0},"label":"Re","xyz":[-2.5862110116017947,2.889442394951307,6.786608060792259]},{"species":[{"element":"Re","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.17900501848063002,0.820994981516442,0.5629950911984161],"properties":{"magmom":-0.0},"label":"Re","xyz":[-2.5862110116017947,2.889442394951307,4.077702249180777]},{"species":[{"element":"Re","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8209949815193691,0.17900501848355702,0.43700490880158305],"properties":{"magmom":-0.0},"label":"Re","xyz":[3.8309153005128076,0.6012160252952337,3.1651712908012453]},{"species":[{"element":"C","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.0],"properties":{"magmom":0.0},"label":"C","xyz":[0.0,0.0,0.0]},{"species":[{"element":"C","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.5],"properties":{"magmom":0.0},"label":"C","xyz":[0.0,0.0,3.621436769991014]}]} | false | -31.292016 | -31.292016 | -0.446521 | 0 | true | -0.077714 | 0 | null | null | 5.510408 | false | true | false | NM | 0.000004 | 0 | 0.000002 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250125 | K2Li2CeS4 | 12 | Monoclinic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[7.237605945378259,-0.077462638292371,-2.524572175395587],[6.112094623819826,3.877013549678634,-2.524572175557371],[-0.038254595713504,-0.010887676398012,7.441265639261803]],"pbc":[true,true,true],"a":7.665664025359287,"b":7.665663664974965,"c":7.441371934640072,"alpha":109.52203354479894,"beta":109.52203357267233,"gamma":31.11177219857448,"volume":211.91440677546922},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"K","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.861898148101325,0.861898148101303,0.438355668499021],"properties":{"magmom":-0.0},"label":"K","xyz":[11.489313079421745,3.270053219474585,-1.0899271918051632]},{"species":[{"element":"K","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.13810185189867502,0.138101851898696,0.5616453315009761],"properties":{"magmom":-0.0},"label":"K","xyz":[1.822132855808233,0.5186100046259859,3.482055921379628]},{"species":[{"element":"Li","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.31707769835298105,0.317077698353024,0.009426286809358001],"properties":{"magmom":-0.0},"label":"Li","xyz":[4.232531731392101,1.2046502273970792,-1.5308275653119263]},{"species":[{"element":"Li","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6829223016470181,0.6829223016469751,0.9905747131906391],"properties":{"magmom":-0.0},"label":"Li","xyz":[9.078914203837872,2.584012996703492,3.922956294886393]},{"species":[{"element":"Ce","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.0],"properties":{"magmom":0.0},"label":"Ce","xyz":[0.0,0.0,0.0]},{"species":[{"element":"S","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.19628231394245402,0.19628231394251103,0.16904482312065702],"properties":{"magmom":0.0},"label":"S","xyz":[2.6138433767955025,0.7439441394983799,0.26684969714817364]},{"species":[{"element":"S","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.48197544475976806,0.48197544475976106,0.23167787282763103],"properties":{"magmom":0.0},"label":"S","xyz":[6.425365125888147,1.828767806694822,-0.7095869997572881]},{"species":[{"element":"S","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.518024555240231,0.518024555240238,0.7683231271723651],"properties":{"magmom":0.0},"label":"S","xyz":[6.886080809341826,1.9598954174057492,3.101715729331748]},{"species":[{"element":"S","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.80371868605755,0.8037186860574931,0.830954176879338],"properties":{"magmom":0.0},"label":"S","xyz":[10.697615984644298,3.044722905928474,2.1252591007506236]}]} | false | -10.589512 | -10.589512 | -1.724322 | 0 | true | -0.017812 | 1.313 | 2.7574 | 1.4444 | 1.502091 | false | false | false | NM | 0.000001 | 0 | 0.000001 | 0 | 0 | [
"K+",
"S2-",
"Li+",
"Ce4+"
] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250126 | Ba2NaNpO6 | 225 | Cubic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.246756917544392,2.192823499999999e-9,3.029216266331371],[1.7489189745822111,4.9466892154097994,3.029216266331369],[6.2022434000000005e-9,4.3856478000000014e-9,6.058433511109799]],"pbc":[true,true,true],"a":6.058432911240868,"b":6.058432384842788,"c":6.058433511109799,"alpha":59.99999913423035,"beta":60.000002008423856,"gamma":59.99999846475561,"volume":157.24104277682366},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Ba","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.25,0.25,0.25],"properties":{"magmom":-0.0},"label":"Ba","xyz":[1.7489189745822116,1.2366723054970676,3.029216510943135]},{"species":[{"element":"Ba","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.75,0.75,0.75],"properties":{"magmom":-0.0},"label":"Ba","xyz":[5.246756923746635,3.7100169164912034,9.087649532829404]},{"species":[{"element":"Na","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.5,0.5],"properties":{"magmom":0.0},"label":"Na","xyz":[3.497837949164423,2.4733446109941353,6.05843302188627]},{"species":[{"element":"Np","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.0],"properties":{"magmom":-0.001},"label":"Np","xyz":[0.0,0.0,0.0]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7660152797603951,0.23398472023941203,0.7660152797561891],"properties":{"magmom":0.0},"label":"O","xyz":[4.4283162897675865,1.157449697218188,7.670068907227829]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.23398472024296502,0.23398472023834602,0.7660152797572121],"properties":{"magmom":0.0},"label":"O","xyz":[1.6368812712726328,1.1574496960462657,6.058433282155218]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7660152797570341,0.7660152797616531,0.23398472024278702],"properties":{"magmom":0.0},"label":"O","xyz":[5.3587946270562075,3.789239525942001,6.0584327616173095]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7660152797582781,0.23398472023729502,0.23398472024612],"properties":{"magmom":0.0},"label":"O","xyz":[4.428316286452994,1.157449694874417,4.446797136544705]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.23398472023959702,0.766015279760587,0.23398472024381],"properties":{"magmom":0.0},"label":"O","xyz":[2.5673596085612167,3.7892395247700783,4.446797136544677]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.233984720241721,0.766015279762704,0.76601527975388],"properties":{"magmom":0.0},"label":"O","xyz":[2.567359611875846,3.789239527113849,7.670068907227828]}]} | false | -20.462314 | -20.462314 | -2.920037 | 0 | true | -0.052647 | 1.3868 | 3.9081 | 2.5213 | 2.581756 | false | false | false | NM | 0.000001 | 0 | 0.000001 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250127 | K2GdOsO6 | 225 | Cubic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.880731722855483,0.000021506830930300004,-0.002012435459559],[-2.939346474602174,4.158082399017235,-2.9395141978218082],[-0.002005638432482,0.00019057176166400002,5.881302757421425]],"pbc":[true,true,true],"a":5.880732067230902,"b":5.8796386499485775,"c":5.881303102489785,"alpha":119.98377091635876,"beta":90.03914605872185,"gamma":119.98318873495677,"volume":143.81660071712705},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"K","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7499960435995231,0.499976888081661,0.249976125909],"properties":{"magmom":-0.003},"label":"K","xyz":[2.9404188605210977,2.0790088666765607,-0.001013201133349277]},{"species":[{"element":"K","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.249999883889536,0.49999993272077603,0.750011053851068],"properties":{"magmom":-0.003},"label":"K","xyz":[-0.0009950426391454605,2.079189227389096,2.94078206933694]},{"species":[{"element":"Gd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[2.191306542399999e-6,1.0206283179e-6,2.921753171799998e-6],"properties":{"magmom":6.815},"label":"Gd","xyz":[9.880645669842338e-6,4.244460576306977e-6,0.000014179153691657392]},{"species":[{"element":"Os","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.500001620404624,1.6795258446e-6,0.5000010720588001],"properties":{"magmom":-0.67},"label":"Os","xyz":[2.9393676325178437,0.00011302314230417825,2.9396465258322846]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.272863913189674,0.545799316684629,0.27290262187194203],"properties":{"magmom":-0.032},"label":"O","xyz":[-0.00020117100699065173,2.26953640807345,0.00008898095254392543]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.727190617128137,0.000027826702634600002,0.272890883856213],"properties":{"magmom":-0.027},"label":"O","xyz":[4.275783817943466,0.00018335058458281668,1.6034086865274753]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.27291801304846003,2.3390944008e-6,0.272905297059772],"properties":{"magmom":-0.031},"label":"O","xyz":[1.6044033923116738,0.00006760379205019088,1.604482570424338]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7271179804390471,0.9999929632848671,0.7270573047929361],"properties":{"magmom":-0.031},"label":"O","xyz":[1.3352017684950523,4.15820733437077,1.335087340177197]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7270610020353411,0.45420765458597806,0.7271057113923051],"properties":{"magmom":-0.032},"label":"O","xyz":[2.939118719716463,1.8887870566272378,2.939715812591846]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.272843734959103,0.9999853786908871,0.727144007454789],"properties":{"magmom":-0.027},"label":"O","xyz":[-1.3362410779197087,4.158166043527724,1.3365337574030856]}]} | false | -16.493949 | -16.493949 | -2.068553 | 0 | true | -0.0453 | 0 | null | null | 2.05369 | false | true | true | FiM | 6.009123 | 0.041783 | 6.009123 | 2 | 2 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250128 | RbDyTe4 | 125 | Tetragonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[6.87863246857477,0.0,0.0],[0.0,6.87863246857477,0.0],[0.0,0.0,9.110267924652145]],"pbc":[true,true,true],"a":6.87863246857477,"b":6.87863246857477,"c":9.110267924652145,"alpha":90.0,"beta":90.0,"gamma":90.0,"volume":431.0576530612848},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Rb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.5,0.0],"properties":{"magmom":-0.0},"label":"Rb","xyz":[3.439316234287385,3.439316234287385,0.0]},{"species":[{"element":"Rb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.0],"properties":{"magmom":-0.0},"label":"Rb","xyz":[0.0,0.0,0.0]},{"species":[{"element":"Dy","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.5,0.5],"properties":{"magmom":0.0},"label":"Dy","xyz":[3.439316234287385,3.439316234287385,4.555133962326073]},{"species":[{"element":"Dy","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.5],"properties":{"magmom":0.0},"label":"Dy","xyz":[0.0,0.0,4.555133962326073]},{"species":[{"element":"Te","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.35578506327743703,0.8557850632774371,0.300137963507332],"properties":{"magmom":-0.0},"label":"Te","xyz":[2.4473146880941075,5.886630922381492,2.734337261911263]},{"species":[{"element":"Te","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.144214936722562,0.35578506327743703,0.300137963507332],"properties":{"magmom":-0.0},"label":"Te","xyz":[0.9920015461932709,2.4473146880941075,2.734337261911263]},{"species":[{"element":"Te","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8557850632774371,0.644214936722562,0.300137963507332],"properties":{"magmom":-0.0},"label":"Te","xyz":[5.886630922381492,4.431317780480656,2.734337261911263]},{"species":[{"element":"Te","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.35578506327743703,0.144214936722562,0.6998620364926681],"properties":{"magmom":-0.0},"label":"Te","xyz":[2.4473146880941075,0.9920015461932709,6.375930662740884]},{"species":[{"element":"Te","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.644214936722562,0.8557850632774371,0.6998620364926681],"properties":{"magmom":-0.0},"label":"Te","xyz":[4.431317780480656,5.886630922381492,6.375930662740884]},{"species":[{"element":"Te","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.644214936722562,0.144214936722562,0.300137963507332],"properties":{"magmom":-0.0},"label":"Te","xyz":[4.431317780480656,0.9920015461932709,2.734337261911263]},{"species":[{"element":"Te","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8557850632774371,0.35578506327743703,0.6998620364926681],"properties":{"magmom":-0.0},"label":"Te","xyz":[5.886630922381492,2.4473146880941075,6.375930662740884]},{"species":[{"element":"Te","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.144214936722562,0.644214936722562,0.6998620364926681],"properties":{"magmom":-0.0},"label":"Te","xyz":[0.9920015461932709,4.431317780480656,6.375930662740884]}]} | false | -25.696812 | -25.696812 | -1.099885 | 0 | true | -0.02187 | 0.4204 | 4.7982 | 4.3778 | 4.417801 | false | false | false | NM | 0 | 0 | 0 | 0 | 0 | [
"Rb+",
"Dy3+",
"Te-"
] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250129 | PrNdOs2I | 164 | Trigonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.28497516497366,0.0,0.0],[-2.14248758248683,3.710897346136187,0.0],[0.0,0.0,17.826595473473315]],"pbc":[true,true,true],"a":4.28497516497366,"b":4.284975163833608,"c":17.826595473473315,"alpha":90.0,"beta":90.0,"gamma":120.00000000880115,"volume":283.4625301918728},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Pr","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.10978920131537201],"properties":{"magmom":0.05},"label":"Pr","xyz":[0.0,0.0,1.9571676792048611]},{"species":[{"element":"Pr","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.890210798684627],"properties":{"magmom":0.05},"label":"Pr","xyz":[0.0,0.0,15.869427794268438]},{"species":[{"element":"Nd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.607801249823396],"properties":{"magmom":-0.022},"label":"Nd","xyz":[0.0,0.0,10.835027008873174]},{"species":[{"element":"Nd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.39219875017660405],"properties":{"magmom":-0.022},"label":"Nd","xyz":[0.0,0.0,6.9915684646001415]},{"species":[{"element":"Os","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.500960591350271],"properties":{"magmom":-0.051000000000000004},"label":"Os","xyz":[2.142489724974389,1.236964545079625,8.930421810153257]},{"species":[{"element":"Os","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.00033838015925600004],"properties":{"magmom":0.08600000000000001},"label":"Os","xyz":[-2.142487560823857e-6,2.4739328010565584,0.00603216621530619]},{"species":[{"element":"Os","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.9996616198407431],"properties":{"magmom":0.08600000000000001},"label":"Os","xyz":[2.142489724974389,1.236964545079625,17.82056330725799]},{"species":[{"element":"Os","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.49903940864972907],"properties":{"magmom":-0.051000000000000004},"label":"Os","xyz":[-2.142487560823857e-6,2.4739328010565584,8.89617366332006]},{"species":[{"element":"I","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.252165555629069],"properties":{"magmom":0.001},"label":"I","xyz":[2.142489724974389,1.236964545079625,4.4952533525430445]},{"species":[{"element":"I","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.74783444437093],"properties":{"magmom":0.001},"label":"I","xyz":[-2.142487560823857e-6,2.4739328010565584,13.331342120930254]}]} | false | -38.543501 | -38.543501 | -0.673279 | 0 | true | -0.028992 | 0 | null | null | 5.258953 | false | true | true | AFM | 0.205879 | 0.000726 | 0.102939 | 4 | 2 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250130 | Nd4In2Ni2Sn3 | 8 | Monoclinic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.900688757153646,-0.021719073770001002,4.45077508262285],[4.176530542792223,4.168354265771241,4.450775088912975],[-0.157162400016847,-0.064669868729662,10.955925781984122]],"pbc":[true,true,true],"a":7.39107558905071,"b":7.391074587090696,"c":10.957243811846343,"alpha":53.794980721729395,"beta":53.79498765171311,"gamma":35.698595652462046,"volume":273.894731722442},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Nd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.937815580514133,0.9378155805140551,0.7207162115287951],"properties":{"magmom":0.0},"label":"Nd","xyz":[9.337303778211721,3.8421704669757455,16.244125764976452]},{"species":[{"element":"Nd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.061941820785477004,0.061941820788007,0.28014476771573904],"properties":{"magmom":-0.0},"label":"Nd","xyz":[0.5801730878573961,0.2387332085827603,3.6206235087542833]},{"species":[{"element":"Nd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.32823337426219,0.328233374261202,0.28877773390225003],"properties":{"magmom":-0.0},"label":"Nd","xyz":[3.262294692265667,1.3423888427572852,6.085613269085594]},{"species":[{"element":"Nd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.669354046042393,0.6693540460418881,0.7132005455892091],"properties":{"magmom":0.0},"label":"Nd","xyz":[6.633139201835025,2.7294444575645236,13.772060868510573]},{"species":[{"element":"In","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.647587338628241,0.64758733863254,0.024171600939155],"properties":{"magmom":-0.0},"label":"In","xyz":[6.522080760427199,2.6837452740084875,6.029353451190901]},{"species":[{"element":"In","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0015448883135740002,0.0015448883143560001,0.004864949837106],"properties":{"magmom":0.0},"label":"In","xyz":[0.01480359114071364,0.0060914725846950134,0.06705193018458792]},{"species":[{"element":"Ni","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.768741188625021,0.768741188629931,0.141313389330989],"properties":{"magmom":-0.0},"label":"Ni","xyz":[7.724564391274124,3.1785505479760636,8.391207265004507]},{"species":[{"element":"Ni","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.235505152580358,0.235505152574099,0.8523458637340221],"properties":{"magmom":0.0},"label":"Ni","xyz":[2.2392803472044682,0.921432858441295,11.434598954972497]},{"species":[{"element":"Sn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.348895146819572,0.348895146814427,0.977186172806469],"properties":{"magmom":0.0},"label":"Sn","xyz":[3.3623159829846085,1.3835463925791955,13.811686838445665]},{"species":[{"element":"Sn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6261195293610691,0.626119529362512,0.445531478746772],"properties":{"magmom":0.0},"label":"Sn","xyz":[6.239523008873518,2.567476812608392,10.454644218679647]},{"species":[{"element":"Sn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.374260934067976,0.37426093406696703,0.5517472858694881],"properties":{"magmom":-0.0},"label":"Sn","xyz":[3.684795580351332,1.5162421356441924,9.376404796244747]}]} | false | -24.436483 | -24.436483 | -0.706374 | 0 | true | -0.01733 | 0 | null | null | 6.185019 | false | true | false | NM | 0.000726 | 0.000003 | 0.000726 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250131 | LaIn2(SnRh)4 | 42 | Orthorhombic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[6.057999197764126,0.07325176549192801,-3.44111748645828],[-2.018375288801466,5.712344282945281,-3.441117487690725],[-0.066605694606097,-0.09539336993616501,6.93923670270667]],"pbc":[true,true,true],"a":6.96749665639442,"b":6.967496363646914,"c":6.94021197297122,"alpha":120.15234386293447,"beta":120.15234312964377,"gamma":89.9617450048889,"volume":237.2172479525101},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"La","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.00034866208874,0.000348662088704,0.9999999999999211],"properties":{"magmom":-0.0},"label":"La","xyz":[-0.06519723089619611,-0.09337615193350912,6.93683712828496]},{"species":[{"element":"In","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.46780246600599906,0.123541339924848,1.4708000000000002e-12],"properties":{"magmom":0.0},"label":"In","xyz":[2.5845941761265885,0.7399780233633818,-2.034883511239481]},{"species":[{"element":"In","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.123541339924081,0.46780246600599906,1.115599999999999e-12],"properties":{"magmom":0.0},"label":"In","xyz":[-0.19578759927618278,2.681298363497644,-2.0348835116635895]},{"species":[{"element":"Sn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.873870742882999,0.8738707428822821,0.34246893120910404],"properties":{"magmom":0.0},"label":"Sn","xyz":[3.5072987652503804,5.023193851418199,-3.6377108125695408]},{"species":[{"element":"Sn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5017040895476861,0.001704089547715,0.500000000000099],"properties":{"magmom":0.0},"label":"Sn","xyz":[3.0025806324587956,-0.0012116284686870084,1.7373316634406157]},{"species":[{"element":"Sn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.001704089547686,0.5017040895477151,0.500000000000099],"properties":{"magmom":0.0},"label":"Sn","xyz":[-1.035606610824001,2.8183346302579904,1.7373316628243933]},{"species":[{"element":"Sn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.53140181167295,0.5314018116726651,0.657532068787524],"properties":{"magmom":0.0},"label":"Sn","xyz":[2.1028680835333193,3.0117520218630256,0.9055385313162945]},{"species":[{"element":"Rh","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7494086780092241,0.40192141244356305,6.253000000000001e-13],"properties":{"magmom":0.0},"label":"Rh","xyz":[3.7286889232610414,2.3508089913043677,-3.961862107433686]},{"species":[{"element":"Rh","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.40192141244343504,0.7494086780094801,7.319e-13],"properties":{"magmom":0.0},"label":"Rh","xyz":[0.9222516372387959,4.310321830467456,-3.9618621078616454]},{"species":[{"element":"Rh","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.608527669385544,0.6085276693856081,0.368757630893064],"properties":{"magmom":0.0},"label":"Rh","xyz":[2.433661564368108,3.485518246261508,-1.6291339222864858]},{"species":[{"element":"Rh","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.239770038491663,0.239770038491421,0.63124336910625],"properties":{"magmom":0.0},"label":"Rh","xyz":[0.9265363770794928,1.326996155000717,2.73019341058276]}]} | false | -25.232801 | -25.232801 | -0.648109 | 0 | true | -0.012429 | 0 | null | null | 9.2637 | false | true | false | NM | 0.000034 | 0 | 0.000034 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250132 | CaHoBPd6 | 216 | Cubic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.08498265521102,-4.3010668000000005e-9,2.935815832313217],[1.69499487529015,4.794167703122241,2.935815832313217],[4.9369942000000004e-9,3.4909818000000004e-9,5.871632647487652]],"pbc":[true,true,true],"a":5.871632073372603,"b":5.871632327911992,"c":5.871632647487652,"alpha":60.00000368865745,"beta":60.00000225462788,"gamma":59.99999659885943,"volume":143.1401849920367},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Ca","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.25,0.25,0.25],"properties":{"magmom":0.0},"label":"Ca","xyz":[1.694994383859541,1.198541925578039,2.9358160780285214]},{"species":[{"element":"Ho","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.75,0.75,0.75],"properties":{"magmom":0.0},"label":"Ho","xyz":[5.084983151578623,3.595625776734117,8.807448234085564]},{"species":[{"element":"B","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.499999000000002,0.499999000000002,0.499999000000002],"properties":{"magmom":0.0},"label":"B","xyz":[3.3899819877415602,2.3970790569883853,5.871620412792755]},{"species":[{"element":"Pd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.755827522467264,0.24417147753288002,0.24417147753230403],"properties":{"magmom":0.0},"label":"Pd","xyz":[4.257239246392884,1.1705990092133047,4.369498115561782]},{"species":[{"element":"Pd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.244171477533029,0.755827522467406,0.24417147753214802],"properties":{"magmom":0.0},"label":"Pd","xyz":[2.5227315065436766,3.6235638971463384,4.369498115561719]},{"species":[{"element":"Pd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7558275224674631,0.7558275224677611,0.24417147753209803],"properties":{"magmom":0.0},"label":"Pd","xyz":[5.124493620469746,3.623563894947374,5.8716260329797425]},{"species":[{"element":"Pd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.244171477532539,0.24417147753224103,0.7558275224679031],"properties":{"magmom":0.0},"label":"Pd","xyz":[1.6554771349908965,1.17059901319709,5.87162653587005]},{"species":[{"element":"Pd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.755827522466972,0.24417147753259602,0.755827522467853],"properties":{"magmom":0.0},"label":"Pd","xyz":[4.257239248916961,1.1705990109981252,7.373754453288069]},{"species":[{"element":"Pd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.24417147753273802,0.755827522467122,0.755827522467697],"properties":{"magmom":0.0},"label":"Pd","xyz":[2.522731509067759,3.6235638989311587,7.373754453288011]}]} | false | -21.37047 | -21.37047 | -0.811724 | 0 | true | -0.071423 | 0 | null | null | 8.535709 | false | true | false | NM | 0.000005 | 0 | 0.000005 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250133 | Li3Ac2ErGe3 | 38 | Orthorhombic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[7.452532798475918,0.080642121788409,0.0],[-3.656427325823103,6.4944031315028035,0.0],[0.0,0.0,4.445796725216692]],"pbc":[true,true,true],"a":7.452969090514587,"b":7.452968054641004,"c":4.445796725216692,"alpha":90.0,"beta":90.0,"gamma":118.76007594505988,"volume":216.48635724307348},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Li","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.23241477216017603,0.015221187921689002,0.5],"properties":{"magmom":-0.0},"label":"Li","xyz":[1.6764235449256673,0.11759495086577594,2.222898362608346]},{"species":[{"element":"Li","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.763788550863374,0.7637885508633531,0.5],"properties":{"magmom":0.0},"label":"Li","xyz":[2.8994218978820934,5.021944285872265,2.222898362608346]},{"species":[{"element":"Li","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.015221187921469,0.232414772159998,0.5],"properties":{"magmom":-0.0},"label":"Li","xyz":[-0.7363713216342541,1.510622693013529,2.222898362608346]},{"species":[{"element":"Ac","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.9962011101104551,0.5773833455877191,0.0],"properties":{"magmom":0.0},"label":"Ac","xyz":[5.313061204694186,3.830095978909724,0.0]},{"species":[{"element":"Ac","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5773833455878471,0.9962011101106111,0.0],"properties":{"magmom":0.0},"label":"Ac","xyz":[0.6604313592634378,6.5162930271824155,0.0]},{"species":[{"element":"Er","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.406894767191445,0.40689476719128204,0.0],"properties":{"magmom":0.0},"label":"Er","xyz":[1.5446154525298335,2.675351507610085,0.0]},{"species":[{"element":"Ge","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.342575779748642,0.6450258566603321,0.5],"properties":{"magmom":0.0},"label":"Ge","xyz":[0.19456706638492274,4.216683981147388,2.222898362608346]},{"species":[{"element":"Ge","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6450258566605741,0.34257577974887704,0.5],"properties":{"magmom":0.0},"label":"Ge","xyz":[3.554472910389004,2.2768414704676165,2.222898362608346]},{"species":[{"element":"Ge","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.020494629756051,0.020494629756143003,0.0],"properties":{"magmom":0.0},"label":"Ge","xyz":[0.07779977617660201,0.13475311809608148,0.0]}]} | false | -25.16968 | -25.16968 | -0.727853 | 0 | true | -0.026401 | 0.0416 | 4.7023 | 4.6607 | 4.680814 | false | false | false | NM | 0 | 0 | 0 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250134 | TbTmSi2Tc | 12 | Monoclinic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.141876318822974,-0.023206092913966,2.563547026492495],[3.4699596246300533,3.79457638406062,2.563547026515207],[-0.056095520865691,-0.024565526046024,10.026518494291395]],"pbc":[true,true,true],"a":5.745537743141137,"b":5.745537667458831,"c":10.026705505244406,"alpha":63.82110509595661,"beta":63.82110680037727,"gamma":42.53234231263374,"volume":197.09150995794403},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Tb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.811235670043267,0.811235670043267,0.11043551432629001],"properties":{"magmom":-0.0},"label":"Tb","xyz":[6.980033564191604,3.0567571986160385,5.266565306285682]},{"species":[{"element":"Tb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.188764329956733,0.188764329956733,0.889564485673709],"properties":{"magmom":-0.0},"label":"Tb","xyz":[1.5757068583957332,0.6900475664845918,9.887047241013406]},{"species":[{"element":"Tm","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0023949049021320004,0.002394904901486,0.325551433761937],"properties":{"magmom":-0.0},"label":"Tm","xyz":[0.002362550869642261,0.0010347309701714935,3.2764263741367254]},{"species":[{"element":"Tm","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.9976050950978671,0.997605095098514,0.674448566238062],"properties":{"magmom":-0.0},"label":"Tm","xyz":[8.55337787171769,3.7457700341304583,11.877186173162361]},{"species":[{"element":"Si","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.641382273490215,0.641382273490471,0.441388411431177],"properties":{"magmom":-0.0},"label":"Si","xyz":[5.498719003494231,2.408047112992641,7.7140163104974935]},{"species":[{"element":"Si","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.358617726509784,0.358617726509528,0.5586115885688231],"properties":{"magmom":-0.0},"label":"Si","xyz":[3.057021419093098,1.3387576521079856,7.4395962368016]},{"species":[{"element":"Si","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.501499262700434,0.50149926270037,0.123592212408794],"properties":{"magmom":0.0},"label":"Si","xyz":[4.311896406608553,1.8883033126671114,3.810433490846142]},{"species":[{"element":"Si","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.49850073729957206,0.498500737299629,0.8764077875912051],"properties":{"magmom":0.0},"label":"Si","xyz":[4.2438440159788104,1.8585014524335148,11.343179056452959]},{"species":[{"element":"Tc","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7289476345851751,0.7289476345854661,0.62884907997072],"properties":{"magmom":0.0},"label":"Tc","xyz":[6.242301823729815,2.733683444424222,10.042550012680982]},{"species":[{"element":"Tc","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.271052365414824,0.27105236541453304,0.371150920029279],"properties":{"magmom":0.0},"label":"Tc","xyz":[2.313438598857513,1.013121320676405,5.111062534618101]}]} | false | -22.790915 | -22.790915 | -0.81898 | 0 | true | -0.062357 | 0 | null | null | 6.34341 | false | true | false | NM | 0.000031 | 0 | 0.000015 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250135 | PrSiTc2C | 63 | Orthorhombic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.830775083342567,0.044359491020137004,0.0],[-4.486441883885279,3.7244748730859802,0.0],[0.0,0.0,7.33757984765475]],"pbc":[true,true,true],"a":5.830943820426679,"b":5.830941078224759,"c":7.33757984765475,"alpha":90.0,"beta":90.0,"gamma":139.86593397406332,"volume":160.80740303134723},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Pr","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.544860179910536,0.455139873431718,0.25],"properties":{"magmom":-0.0},"label":"Pr","xyz":[1.134998569737597,1.7193267425939387,1.8343949619136874]},{"species":[{"element":"Pr","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.455139820089463,0.5448601265682811,0.75],"properties":{"magmom":-0.0},"label":"Pr","xyz":[0.2093346297196889,2.0495076215121752,5.503184885741062]},{"species":[{"element":"Si","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.26790409563412904,0.7320978619481121,0.25],"properties":{"magmom":0.0},"label":"Si","xyz":[-1.7224259853979693,2.7385641807902523,1.8343949619136874]},{"species":[{"element":"Si","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.73209590436587,0.267902138051887,0.75],"properties":{"magmom":0.0},"label":"Si","xyz":[3.0667591848552553,1.0302701833158616,5.503184885741062]},{"species":[{"element":"Tc","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.827477975513168,0.17252250440654301,0.060085502419276],"properties":{"magmom":0.0},"label":"Tc","xyz":[4.050825771954633,0.6792622345281722,0.4408821716878903]},{"species":[{"element":"Tc","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.17252202448683102,0.8274774955934561,0.9399144975807231],"properties":{"magmom":0.0},"label":"Tc","xyz":[-2.706492572497347,3.0895721295779417,6.896697675966853]},{"species":[{"element":"Tc","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.17252202448683102,0.8274774955934561,0.560085502419276],"properties":{"magmom":0.0},"label":"Tc","xyz":[-2.706492572497347,3.0895721295779417,4.109672095515266]},{"species":[{"element":"Tc","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.827477975513168,0.17252250440654301,0.43991449758072304],"properties":{"magmom":0.0},"label":"Tc","xyz":[4.050825771954633,0.6792622345281722,3.2279077521394774]},{"species":[{"element":"C","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.0],"properties":{"magmom":0.0},"label":"C","xyz":[0.0,0.0,0.0]},{"species":[{"element":"C","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.5],"properties":{"magmom":0.0},"label":"C","xyz":[0.0,0.0,3.668789923827375]}]} | false | -20.560093 | -20.560093 | -0.549237 | 0 | true | -0.089597 | 0 | null | null | 8.408503 | false | true | false | NM | 0.00001 | 0 | 0.000005 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250136 | LaSn6PdRu3 | 8 | Monoclinic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[6.042796402381328,-0.065326259601145,-3.459592765222591],[-2.063606700807214,5.687569614949813,-3.4643969293542662],[0.029367368482057003,0.036696758423734,6.934698602998841]],"pbc":[true,true,true],"a":6.96336398459873,"b":6.972013111335639,"c":6.9348578794986455,"alpha":119.59234919606399,"beta":119.55054125799451,"gamma":91.01039798459016,"volume":239.01731234308102},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"La","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.991792605106077,0.006329345767333,1.4199999999999991e-14],"properties":{"magmom":-0.0},"label":"La","xyz":[5.980139505706214,-0.028791506522860586,-3.4531258872673214]},{"species":[{"element":"Sn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.46980056068829806,0.131898262073313,1.279e-12],"properties":{"magmom":0.0},"label":"Sn","xyz":[2.5667230005247017,0.7194902342446221,-2.0822665549598334]},{"species":[{"element":"Sn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.12490478140529102,0.46859075276312,5.116e-13],"properties":{"magmom":-0.0},"label":"Sn","xyz":[-0.21221285362213718,2.6569829650864936,-2.0555040430842633]},{"species":[{"element":"Sn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.888121214608048,0.8719981287018891,0.35553109752163403],"properties":{"magmom":-0.0},"label":"Sn","xyz":[3.577715511779227,4.914579262873068,-3.6279843628702735]},{"species":[{"element":"Sn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.532590117085746,0.516467031180198,0.6444689024767241],"properties":{"magmom":-0.0},"label":"Sn","xyz":[2.1714751729143917,2.9262999930398816,0.8374058848492435]},{"species":[{"element":"Sn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.9895139134085221,0.489122376328246,0.49304280169982906],"properties":{"magmom":0.0},"label":"Sn","xyz":[4.984554272380515,2.7353693953968494,-1.6987260063788145]},{"species":[{"element":"Sn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.49647111170897,0.9960795746288931,0.506957198300497],"properties":{"magmom":0.0},"label":"Sn","xyz":[0.9594453618269612,5.651443007840664,-1.652807511112547]},{"species":[{"element":"Pd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.40508313591444506,0.7628428764603751,3.126e-13],"properties":{"magmom":-0.0},"label":"Pd","xyz":[0.8736272448424844,4.312259399040162,-4.044213205110225]},{"species":[{"element":"Ru","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.75859676678089,0.40360961132969203,2.274e-13],"properties":{"magmom":0.0},"label":"Ru","xyz":[3.751154314711529,2.2460014723811508,-4.022699784223294]},{"species":[{"element":"Ru","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.24766426223173,0.25263288596809,0.652202731169332],"properties":{"magmom":0.0},"label":"Ru","xyz":[0.9944032744155623,1.4446218721497341,2.7907912844891545]},{"species":[{"element":"Ru","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5954615310619641,0.6004301547988571,0.347797268829644],"properties":{"magmom":0.0},"label":"Ru","xyz":[2.369414997398853,3.388852062127619,-1.7283135551274609]}]} | false | -25.667015 | -25.667015 | -0.443747 | 0 | true | -0.01786 | 0 | null | null | 9.578304 | false | true | false | NM | 0.000283 | 0.000001 | 0.000283 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250137 | YbPrB5Os3 | 1 | Triclinic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.8196918682190395,0.018509914880792,-3.013064666124672],[3.048459789406952,3.668051449392861,-3.016641615432143],[-0.076330622522548,-0.044116258900315,8.067382417276365]],"pbc":[true,true,true],"a":5.684041784133418,"b":5.64338862377749,"c":8.067864133388333,"alpha":122.90019488362732,"beta":122.5544213275001,"gamma":41.96843509788563,"volume":141.09149988646078},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Yb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.07577144827610001,0.599979016276527,0.7457078582548741],"properties":{"magmom":0.0},"label":"Yb","xyz":[2.13728659366588,2.1692585823776316,3.977684521722566]},{"species":[{"element":"Pr","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.38834878699923003,0.9390872748848401,0.260423087870165],"properties":{"magmom":0.0},"label":"Pr","xyz":[4.714613030546731,3.4403198503710444,-1.9020771220435424]},{"species":[{"element":"B","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.732831539271749,0.26134022817712504,0.9939028787326051],"properties":{"magmom":0.0},"label":"B","xyz":[4.252842162094281,0.9283267754437083,5.021755983060672]},{"species":[{"element":"B","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.08157212439945001,0.625624299890247,0.187659685564874],"properties":{"magmom":0.0},"label":"B","xyz":[2.2860188455111228,2.288053169793562,-0.6191439366855516]},{"species":[{"element":"B","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.48167458002328806,0.47310404767706105,0.38112680437058805],"properties":{"magmom":0.0},"label":"B","xyz":[3.734670075777616,1.7274718544964827,0.19619366404138583]},{"species":[{"element":"B","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.531995031264209,0.5176998306916041,0.618757259979943],"properties":{"magmom":-0.0},"label":"B","xyz":[4.095009116118569,1.8814995415867573,1.8271011549017473]},{"species":[{"element":"B","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.373537667401372,0.917830977149776,0.811992535712143],"properties":{"magmom":-0.0},"label":"B","xyz":[4.536327389626514,3.3377433235296703,2.656394036847327]},{"species":[{"element":"Os","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6129374234389501,0.1247146688804,0.096982071344669],"properties":{"magmom":0.0},"label":"Os","xyz":[3.326954466827675,0.4645267553142786,-1.4406480961518269]},{"species":[{"element":"Os","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.013637730031618,0.9865066642477911,0.5023864864759561],"properties":{"magmom":0.0},"label":"Os","xyz":[3.034708081216107,3.596646220546486,1.0359154879179315]},{"species":[{"element":"Os","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8739936688940161,0.387812992124608,0.9010603316941891],"properties":{"magmom":0.0},"label":"Os","xyz":[5.325833995096286,1.3989441453958054,3.465906023605334]}]} | false | -26.705348 | -26.705348 | -0.543269 | 0.042148 | false | null | 0 | null | null | 5.890793 | false | true | false | NM | 0.000186 | 0.000001 | 0.000186 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | true | true |
mp-3250138 | Dy5ZnTe4 | 12 | Monoclinic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[6.63969752265232,-0.0059185890765330006,3.643742082142437],[5.303701225029437,3.994542585286434,3.643742081652061],[0.005244214950764,0.001751663540359,10.714058122505028]],"pbc":[true,true,true],"a":7.57380185793025,"b":7.5738017869262775,"c":10.714059549140632,"alpha":61.21481424927517,"beta":61.214815515156126,"gamma":32.33386202502958,"volume":284.41553920113654},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Dy","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.5],"properties":{"magmom":0.0},"label":"Dy","xyz":[0.002622107475382,0.0008758317701795,5.357029061252514]},{"species":[{"element":"Dy","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.586636655130639,0.5866366551305401,0.091378434437253],"properties":{"magmom":0.0},"label":"Dy","xyz":[7.0069147003830174,2.3400331039819626,5.25413919186979]},{"species":[{"element":"Dy","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.184973643699606,0.18497364369931502,0.7279122493325041],"properties":{"magmom":-0.0},"label":"Dy","xyz":[2.2130313128152563,0.739065371273203,9.146886646611005]},{"species":[{"element":"Dy","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8150263563003931,0.8150263563006841,0.272087750667495],"properties":{"magmom":-0.0},"label":"Dy","xyz":[9.735611649817253,3.2513102884770535,8.854655639688504]},{"species":[{"element":"Dy","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.41336334486936005,0.413363344869459,0.9086215655627471],"properties":{"magmom":0.0},"label":"Dy","xyz":[4.941728262249493,1.6503425557682938,12.747403094429732]},{"species":[{"element":"Zn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.0],"properties":{"magmom":0.0},"label":"Zn","xyz":[0.0,0.0,0.0]},{"species":[{"element":"Te","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6088695931903131,0.608869593190121,0.5875298160127961],"properties":{"magmom":-0.0},"label":"Te","xyz":[7.2750534694548215,2.4295810245182596,10.731956115655489]},{"species":[{"element":"Te","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.193567746503738,0.193567746503767,0.19638423793348603],"properties":{"magmom":-0.0},"label":"Te","xyz":[2.3128866623411435,0.7724129577066897,3.51469402683071]},{"species":[{"element":"Te","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.806432253496261,0.806432253496232,0.8036157620665131],"properties":{"magmom":-0.0},"label":"Te","xyz":[9.635756300291366,3.217962702043567,14.486848259468799]},{"species":[{"element":"Te","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.391130406809686,0.39113040680987804,0.41247018398720303],"properties":{"magmom":-0.0},"label":"Te","xyz":[4.673589493177689,1.5607946352319968,7.269586170644022]}]} | false | -28.370655 | -28.370655 | -1.321803 | 0 | true | -0.047857 | 0 | null | null | 5.758303 | false | true | false | NM | 0.000018 | 0 | 0.000018 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250139 | Rb2NpCl6 | 225 | Cubic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[6.3957000223177545,9.5294858e-9,3.692558485916306],[2.131899688742452,6.029924139073113,3.692558485916306],[9.865648900000004e-9,6.9760679000000025e-9,7.38511793778866]],"pbc":[true,true,true],"a":7.385117937270051,"b":7.38511811535532,"c":7.38511793778866,"alpha":60.00000504557478,"beta":60.00000424788784,"gamma":60.00000608347238,"volume":284.8114001073745},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Rb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.25,0.25,0.25],"properties":{"magmom":0.0},"label":"Rb","xyz":[2.131899930231464,1.5074810388946667,3.692558727405318]},{"species":[{"element":"Rb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.75,0.75,0.75],"properties":{"magmom":0.0},"label":"Rb","xyz":[6.395699790694392,4.522443116684,11.077676182215953]},{"species":[{"element":"Np","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.0],"properties":{"magmom":3.23},"label":"Np","xyz":[0.0,0.0,0.0]},{"species":[{"element":"Cl","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.751221632785068,0.248778367218029,0.751221632785615],"properties":{"magmom":-0.044},"label":"Cl","xyz":[5.3349587446183,1.5001146941665173,9.240418841467674]},{"species":[{"element":"Cl","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.24877836721326202,0.24877836721495303,0.7512216327836391],"properties":{"magmom":-0.044},"label":"Cl","xyz":[2.121482339780737,1.5001146893599435,7.38511769746305]},{"species":[{"element":"Cl","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.751221632786737,0.7512216327850461,0.24877836721636],"properties":{"magmom":-0.044},"label":"Cl","xyz":[6.40611738114511,4.529809466218718,7.3851172121582085]},{"species":[{"element":"Cl","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.24877836721493202,0.7512216327819701,0.248778367214384],"properties":{"magmom":-0.044},"label":"Cl","xyz":[3.192640976307554,4.529809461412143,5.529816068153588]},{"species":[{"element":"Cl","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.24877836721718402,0.751221632784222,0.75122163278646],"properties":{"magmom":-0.044},"label":"Cl","xyz":[3.192640981283687,4.529809464930802,9.240418841467669]},{"species":[{"element":"Cl","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7512216327828151,0.248778367215777,0.24877836721353902],"properties":{"magmom":-0.044},"label":"Cl","xyz":[5.33495873964216,1.5001146906478597,5.529816068153589]}]} | false | -18.520427 | -18.520427 | -2.098142 | 0.00345 | false | null | 0 | null | null | 1.302418 | false | true | true | FM | 3.000001 | 0.010533 | 3.000001 | 1 | 1 | [] | true | null | null | null | null | null | null | null | false | false | false | true | true |
mp-3250140 | LiLa(BIr)4 | 22 | Orthorhombic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.895585010482134,0.059428963399065005,3.874907490147077],[3.7461119629371282,4.566267229960855,1.608504759805003],[-0.010577164910998001,0.022177578382903,5.483412250543923]],"pbc":[true,true,true],"a":7.055236528615481,"b":6.121391901895384,"c":5.483467300058938,"alpha":74.65671314688853,"beta":56.79467374116488,"gamma":48.54860501909573,"volume":146.69493135496552},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Li","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.75,0.75,0.75],"properties":{"magmom":0.0},"label":"Li","xyz":[7.223339856381198,3.485905328807117,8.225118375372002]},{"species":[{"element":"La","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.5,0.5],"properties":{"magmom":0.0},"label":"La","xyz":[4.8155599042541315,2.323936885871411,5.483412250248001]},{"species":[{"element":"B","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.825340600146461,0.174659399853744,0.825340600145771],"properties":{"magmom":0.0},"label":"B","xyz":[5.51142957436185,0.8648946861269724,8.004741707150032]},{"species":[{"element":"B","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.069268114555377,0.43073188544470703,0.069268114555093],"properties":{"magmom":0.0},"label":"B","xyz":[2.0212132664891986,1.9724896246900339,1.3410674517800676]},{"species":[{"element":"B","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.174659399853538,0.8253406001462551,0.17465939985422801],"properties":{"magmom":0.0},"label":"B","xyz":[4.119690234146406,3.782979085615846,2.9620827933459606]},{"species":[{"element":"B","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.43073188544462204,0.069268114555292,0.43073188544490604],"properties":{"magmom":0.0},"label":"B","xyz":[2.7943466377649244,0.35144726118137304,4.142344798467923]},{"species":[{"element":"Ir","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.133306817700031,0.133306817699846,0.866693182300018],"properties":{"magmom":0.0},"label":"Ir","xyz":[1.2761367840374243,0.6358579951674997,5.483412250464998]},{"species":[{"element":"Ir","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.37833925468468904,0.37833925468508706,0.12166074531519601],"properties":{"magmom":-0.0},"label":"Ir","xyz":[3.646545621054163,1.7527805909107628,2.741706125048054]},{"species":[{"element":"Ir","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.12166074531531001,0.12166074531491201,0.378339254684803],"properties":{"magmom":-0.0},"label":"Ir","xyz":[1.16901428319996,0.5711562949606441,2.741706125199937]},{"species":[{"element":"Ir","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8666931822999681,0.866693182300153,0.133306817699981],"properties":{"magmom":0.0},"label":"Ir","xyz":[8.35498302447083,4.012015776575318,5.4834122500309945]}]} | false | -27.794535 | -27.794535 | -0.699103 | 0 | true | -0.038543 | 0 | null | null | 6.851466 | false | true | false | NM | 0 | 0 | 0 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250141 | Nd4Al3NiI2 | 156 | Trigonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.317053174924828,1.4785004e-9,0.0],[-2.158527084906165,3.738678758149376,0.0],[0.0,0.0,17.117120265979846]],"pbc":[true,true,true],"a":4.317053174924828,"b":4.3170543235997005,"c":17.117120265979846,"alpha":90.0,"beta":90.0,"gamma":119.99999880197082,"volume":276.271604981078},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Nd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.101630298082376],"properties":{"magmom":-0.007},"label":"Nd","xyz":[0.0,0.0,1.739618034943411]},{"species":[{"element":"Nd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.381045293622221],"properties":{"magmom":-0.004},"label":"Nd","xyz":[0.0,0.0,6.52239811771716]},{"species":[{"element":"Nd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.6195510828054861],"properties":{"magmom":-0.003},"label":"Nd","xyz":[0.0,0.0,10.604930395299544]},{"species":[{"element":"Nd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.8956280792950501],"properties":{"magmom":-0.002},"label":"Nd","xyz":[0.0,0.0,15.330573546881906]},{"species":[{"element":"Al","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.6666659999999991,0.49313327144936603],"properties":{"magmom":0.0},"label":"Al","xyz":[-3.3162882062924417e-7,2.4924500134732415,8.441021514554883]},{"species":[{"element":"Al","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666668000000001,0.333333999999999,0.5075473130269821],"properties":{"magmom":0.0},"label":"Al","xyz":[2.1585307387006805,1.2462287461546293,8.687748397757773]},{"species":[{"element":"Al","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666668000000001,0.333333999999999,0.9969954344199571],"properties":{"magmom":0.002},"label":"Al","xyz":[2.1585307387006805,1.2462287461546293,17.065690755599228]},{"species":[{"element":"Ni","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.6666659999999991,0.003161815809633],"properties":{"magmom":0.011},"label":"Ni","xyz":[-3.3162882062924417e-7,2.4924500134732415,0.0541211814723645]},{"species":[{"element":"I","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666668000000001,0.333333999999999,0.248910372510096],"properties":{"magmom":-0.0},"label":"I","xyz":[2.1585307387006805,1.2462287461546293,4.260628781705157]},{"species":[{"element":"I","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.6666659999999991,0.752396038978822],"properties":{"magmom":-0.0},"label":"I","xyz":[-3.3162882062924417e-7,2.4924500134732415,12.878853486847357]}]} | false | -20.758417 | -20.758417 | -0.861675 | 0 | true | -0.020984 | 0 | null | null | 5.273469 | false | true | false | NM | 0.029253 | 0.000106 | 0.029253 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250142 | EuSbIO2 | 63 | Orthorhombic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[7.399619018305164,-0.004248352133022,6.8244691611e-6],[-5.132127646800406,5.330632188652526,-6.8258628187e-6],[4.913196294499999e-6,-1.964997423e-6,5.545493649261078]],"pbc":[true,true,true],"a":7.399620237863961,"b":7.399619835761705,"c":5.545493649263602,"alpha":90.00010268618966,"beta":89.99989638309492,"gamma":133.94598244107254,"volume":218.61913235358944},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Eu","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.399578515926421,0.6004214840734,0.24999899999787803],"properties":{"magmom":6.8},"label":"Eu","xyz":[-0.12470968409656757,3.1989280482723497,1.3863664953264285]},{"species":[{"element":"Eu","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6004214840735781,0.39957851592659904,0.7500000000021241],"properties":{"magmom":6.8},"label":"Eu","xyz":[2.392205968792705,2.1274538232516917,4.1591216070473545]},{"species":[{"element":"Sb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.068743468132375,0.9312565318730811,0.250000000077506],"properties":{"magmom":0.01},"label":"Sb","xyz":[-4.2706506910136515,4.963893506986736,1.3863675252534213]},{"species":[{"element":"Sb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.931256531867624,0.068743468126918,0.7499989999224961],"properties":{"magmom":0.01},"label":"Sb","xyz":[6.538146975709789,0.3624883645373055,4.159120577120362]},{"species":[{"element":"I","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7446595812692031,0.255339418730663,0.24999899999878702],"properties":{"magmom":-0.018000000000000002},"label":"I","xyz":[4.199763937831334,1.357956457149647,1.386371205809397]},{"species":[{"element":"I","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.255339418730798,0.7446595812693311,0.750000000001215],"properties":{"magmom":-0.018000000000000002},"label":"I","xyz":[-1.932269920626528,3.9684200879905314,4.159116896564387]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.22301343658232703,0.223013436581275,5.684000000000001e-13],"properties":{"magmom":-0.02},"label":"O","xyz":[0.5056810431854492,1.1878551639331663,-3.0765230502391663e-10]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.776986563417672,0.7769865634187241,0.9999999999994311],"properties":{"magmom":-0.02},"label":"O","xyz":[1.7618152415156016,4.13852670758891,5.5454936481750705]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.22301543658232903,0.223015436581278,0.500000000000568],"properties":{"magmom":-0.02},"label":"O","xyz":[0.505688034766339,1.1878648342021438,2.7727468243228817]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7769845634176701,0.776984563418722,0.49999999999943107],"properties":{"magmom":-0.02},"label":"O","xyz":[1.7618082499347076,4.138517037319938,2.7727468235445336]}]} | false | -22.19561 | -22.19561 | -2.04942 | 0 | true | -0.047128 | 0.4177 | 6.8494 | 6.4317 | 6.531927 | false | false | true | FM | 14.00064 | 0.064041 | 7.00032 | 2 | 1 | [
"I-",
"Eu2+",
"O2-",
"Sb3+"
] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250143 | Er3Cd3Hg2Ir | 174 | Hexagonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[7.951390544178496,-0.000015521516224200003,0.0],[-3.9756818300598242,6.886115021411643,0.0],[0.0,0.0,3.735551875482253]],"pbc":[true,true,true],"a":7.951390544193645,"b":7.951391456970215,"c":3.735551875482253,"alpha":90.0,"beta":90.0,"gamma":119.99999620262616,"volume":204.53688613388152},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Er","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.577250704829509,0.9583692233699771,0.0],"properties":{"magmom":-0.0},"label":"Er","xyz":[0.7797746881611675,6.599431745300429,0.0]},{"species":[{"element":"Er","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.041630776631933,0.6188814814621251,0.0],"properties":{"magmom":-0.0},"label":"Er","xyz":[-2.1294532971515174,4.261688419797056,0.0]},{"species":[{"element":"Er","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.38111851853854906,0.422749295167889,0.0],"properties":{"magmom":-0.0},"label":"Er","xyz":[1.3497054930491619,2.9110943562095164,0.0]},{"species":[{"element":"Cd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.28010295069816404,0.005482035443449,0.5],"properties":{"magmom":-0.0},"label":"Cd","xyz":[2.205413124873613,0.037745578992551494,1.8677759377411265]},{"species":[{"element":"Cd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.9945179645574951,0.274620915254963,0.5],"properties":{"magmom":-0.0},"label":"Cd","xyz":[6.815995356464556,1.8910557733042925,1.8677759377411265]},{"species":[{"element":"Cd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7253790847443391,0.719897049301593,0.5],"properties":{"magmom":-0.0},"label":"Cd","xyz":[2.905690776958965,4.957282626082385,1.8677759377411265]},{"species":[{"element":"Hg","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.5],"properties":{"magmom":0.0},"label":"Hg","xyz":[3.97570372845647,2.2953590307495717,1.8677759377411265]},{"species":[{"element":"Hg","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.0],"properties":{"magmom":0.0},"label":"Hg","xyz":[0.0,0.0,0.0]},{"species":[{"element":"Ir","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.5],"properties":{"magmom":0.0},"label":"Ir","xyz":[4.985662198033082e-6,4.590740469145841,1.8677759377411265]}]} | false | -35.381794 | -35.381794 | -0.583324 | 0 | true | -0.037352 | 0 | null | null | 3.622966 | false | true | false | NM | 0.000007 | 0 | 0.000007 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250144 | YbScBPt6 | 216 | Cubic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.022536538345037,-2.6928823000000002e-9,2.899763499791525],[1.6741791743617032,4.735292937060821,2.899763499791525],[0.0,0.0,5.799526999583051]],"pbc":[true,true,true],"a":5.79952598353815,"b":5.799526141191858,"c":5.799526999583051,"alpha":59.99999510384951,"beta":59.99999420461331,"gamma":59.99999381785027,"volume":137.93120498894038},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Yb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.25,0.25,0.25],"properties":{"magmom":0.0},"label":"Yb","xyz":[1.674178928176685,1.1838232335919847,2.8997634997915256]},{"species":[{"element":"Sc","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.75,0.75,0.75],"properties":{"magmom":0.0},"label":"Sc","xyz":[5.022536784530055,3.551469700775954,8.699290499374577]},{"species":[{"element":"B","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.499999000000002,0.499999000000002,0.499999000000002],"properties":{"magmom":0.0},"label":"B","xyz":[3.3483511596376707,2.3676417318910445,5.799515400529075]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.757077849531782,0.24292015046804402,0.242920150466631],"properties":{"magmom":0.0},"label":"Pt","xyz":[4.2091430185914716,1.1502980707423593,4.308579671638025]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.24292015046821502,0.757077849531953,0.24292015046646],"properties":{"magmom":0.0},"label":"Pt","xyz":[2.487559300683823,3.584985393039697,4.308579671638025]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.757077849532066,0.7570778495324071,0.24292015046776003],"properties":{"magmom":0.0},"label":"Pt","xyz":[5.069935130704186,3.584985391657281,5.799515400529032]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.24292015046793103,0.24292015046759002,0.7570778495322371],"properties":{"magmom":0.0},"label":"Pt","xyz":[1.6267671885711084,1.1502980721247755,5.799515400529038]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.757077849531782,0.24292015046804402,0.7570778495335371],"properties":{"magmom":0.0},"label":"Pt","xyz":[4.2091430185914716,1.1502980707423593,7.2904511294200445]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.24292015046821502,0.757077849531953,0.7570778495333671],"properties":{"magmom":0.0},"label":"Pt","xyz":[2.487559300683823,3.584985393039697,7.29045112942005]}]} | false | -41.525484 | -41.525484 | -1.058759 | 0 | true | -0.035843 | 0 | null | null | 9.705144 | false | true | false | NM | 0.00001 | 0 | 0.00001 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250145 | ScPaBRh6 | 216 | Cubic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.957676425536928,2.68739e-9,2.862315358492042],[1.652558811046003,4.6741433334037295,2.862315358492044],[7.6010873e-9,5.3747818e-9,5.724632690610441]],"pbc":[true,true,true],"a":5.724631407504245,"b":5.7246323669409325,"c":5.724632690610441,"alpha":60.000009458182944,"beta":60.000003914088246,"gamma":60.00000815348705,"volume":132.65628467471547},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Sc","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.75,0.75,0.75],"properties":{"magmom":0.011},"label":"Sc","xyz":[4.957676433138014,3.505607506099426,8.586947555695897]},{"species":[{"element":"Pa","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.25,0.25,0.25],"properties":{"magmom":0.031},"label":"Pa","xyz":[1.6525588110460043,1.1685358353664752,2.862315851898632]},{"species":[{"element":"B","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.5,0.5],"properties":{"magmom":0.004},"label":"B","xyz":[3.3051176220920087,2.3370716707329504,5.724631703797264]},{"species":[{"element":"Rh","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7566164605530611,0.7566164605543331,0.24338353944565203],"properties":{"magmom":-0.058},"label":"Rh","xyz":[5.001412789978585,3.536533788385019,5.724631197328528]},{"species":[{"element":"Rh","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7566164605540201,0.243383539445986,0.243383539445915],"properties":{"magmom":-0.058},"label":"Rh","xyz":[4.153265204086862,1.137609551703116,4.255596724760621]},{"species":[{"element":"Rh","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.24338353944663202,0.756616460554653,0.24338353944527502],"properties":{"magmom":-0.058},"label":"Rh","xyz":[2.4569700362003166,3.5365337870072575,4.255596724760619]},{"species":[{"element":"Rh","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.24338353944693802,0.24338353944566601,0.7566164605543471],"properties":{"magmom":-0.058},"label":"Rh","xyz":[1.608822454205427,1.1376095530808783,5.724632210265989]},{"species":[{"element":"Rh","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7566164605533671,0.24338353944534602,0.7566164605547241],"properties":{"magmom":-0.058},"label":"Rh","xyz":[4.153265207983695,1.1376095544586395,7.193666682833898]},{"species":[{"element":"Rh","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.243383539445979,0.7566164605540131,0.756616460554084],"properties":{"magmom":-0.058},"label":"Rh","xyz":[2.4569700400971497,3.536533789762781,7.193666682833896]}]} | false | -27.627803 | -27.627803 | -0.914666 | 0 | true | -0.054507 | 0 | null | null | 10.653399 | false | true | false | NM | 0.272135 | 0.002051 | 0.272135 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250146 | Tb2B(PdPt)3 | 160 | Trigonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.01812782138538,-5.4263034000000025e-9,2.8972172365793183],[1.67270993205377,4.731135853025502,2.8972172339448843],[-0.15319762479582902,-0.10832673738411801,6.059780576171842]],"pbc":[true,true,true],"a":5.794434791046862,"b":5.794434629646099,"c":6.06268462198265,"alpha":61.45316404854944,"beta":61.45316778900823,"gamma":59.999993845157924,"volume":147.01778982052141},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Tb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.245255475496499,0.24525547549571003,0.26423857351226504],"properties":{"magmom":-0.0},"label":"Tb","xyz":[1.6004838728468092,1.1317128693781235,3.022344556544411]},{"species":[{"element":"Tb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7531224366147241,0.753122436615406,0.740633690154297],"properties":{"magmom":-0.0},"label":"Tb","xyz":[4.925556709689611,3.482894126251228,8.851996256902995]},{"species":[{"element":"B","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.502650486663498,0.502650486664123,0.492047540008108],"properties":{"magmom":0.0},"label":"B","xyz":[3.2877723385378665,2.3248058316228555,5.89427543204482]},{"species":[{"element":"Pd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.24444719224833003,0.24444719224860703,0.7649108854429301],"properties":{"magmom":-0.0},"label":"Pd","xyz":[1.5183739717874565,1.073652573482728,6.051625363096855]},{"species":[{"element":"Pd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7461947300596771,0.24444719224966602,0.76491088544202],"properties":{"magmom":-0.0},"label":"Pd","xyz":[4.036207250592101,1.0736525707652025,7.505296978052677]},{"species":[{"element":"Pd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.24444719224941003,0.746194730059173,0.7649108854427521],"properties":{"magmom":-0.0},"label":"Pd","xyz":[2.3576520616721615,3.447488338785585,7.50529697673309]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.248412157820588,0.757735664423115,0.236116513332802],"properties":{"magmom":-0.0},"label":"Pt","xyz":[2.477863443064117,3.559372636188484,4.34584307236253]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7577356644234211,0.248412157820624,0.236116513332454],"properties":{"magmom":-0.0},"label":"Pt","xyz":[4.181763413510967,1.1496939305490614,4.345843073703191]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7577356644238621,0.7577356644235701,0.23611651333237602],"properties":{"magmom":-0.0},"label":"Pt","xyz":[5.0337139016363945,3.559372633426939,5.821463914687292]}]} | false | -33.57388 | -33.57388 | -1.002354 | 0 | true | -0.016751 | 0 | null | null | 8.722904 | false | true | false | NM | 0.000001 | 0 | 0.000001 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250147 | Tb2BPdPt5 | 107 | Tetragonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.059877767260591,4.810308e-10,2.921321580242939],[1.60671483885449,4.883509750029699,3.059732451918077],[-0.07991075736728101,0.113011743841762,5.981054037670367]],"pbc":[true,true,true],"a":5.84264347661323,"b":5.982655157148116,"c":5.9826553289423385,"alpha":58.457614231112416,"beta":60.7711865160441,"gamma":60.7711864087115,"volume":147.7124647908175},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Tb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.24656004609322202,0.253441953906751,0.25344195390670804],"properties":{"magmom":-0.0},"label":"Tb","xyz":[1.6345199051667647,1.2663281702624596,3.011595776252618]},{"species":[{"element":"Tb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7465590460932241,0.753440953906753,0.7534409539067111],"properties":{"magmom":-0.0},"label":"Tb","xyz":[4.92785424285883,3.764583920917221,8.99263784906027]},{"species":[{"element":"B","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.512765981328939,0.487234018671294,0.48723401867161403],"properties":{"magmom":-0.0},"label":"B","xyz":[3.338444077080579,2.434475247083182,5.90293306014391]},{"species":[{"element":"Pd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.24544745906116103,0.754552540938853,0.754552540938874],"properties":{"magmom":-0.0},"label":"Pd","xyz":[2.3939880403361564,3.770137989174375,7.538779376775905]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.24045372367705603,0.7595462763223181,0.24701725927305002],"properties":{"magmom":0.0},"label":"Pt","xyz":[2.417301387180999,3.737167497363918,4.503874618373831]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.761796538615591,0.23820346138459303,0.23820346138484802],"properties":{"magmom":-0.0},"label":"Pt","xyz":[4.21828738598346,1.190188715089176,4.378999303472656]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7529827407269131,0.759546276322495,0.24701725927338403],"properties":{"magmom":0.0},"label":"Pt","xyz":[5.010635565627753,3.737167497611362,6.001136696384819]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.24045372367703502,0.24701725927337,0.759546276322218],"properties":{"magmom":0.0},"label":"Pt","xyz":[1.5528568282197348,1.292148843418473,6.001136699204581]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7529827407268851,0.247017259273548,0.759546276322552],"properties":{"magmom":0.0},"label":"Pt","xyz":[4.146191006666455,1.292148843665922,7.498398777215551]}]} | false | -39.965267 | -39.965267 | -1.054349 | 0 | true | -0.008059 | 0 | null | null | 8.912723 | false | true | false | NM | 0.000017 | 0 | 0.000017 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250148 | LaCu2Bi2(SeO2)2 | 139 | Tetragonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[12.695047748450053,0.009367507909787002,-1.9729772576230782],[-0.6161291976038901,3.897556789636231,-1e-16],[-1.4915844e-9,-2.3579100000000003e-10,3.945955499212295]],"pbc":[true,true,true],"a":12.847449721432229,"b":3.9459554123912115,"c":3.945955499212295,"alpha":90.0,"beta":98.8338451230715,"gamma":98.8338438438406,"volume":195.26734859291085},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"La","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.0],"properties":{"magmom":0.0},"label":"La","xyz":[0.0,0.0,0.0]},{"species":[{"element":"Cu","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.75,0.25],"properties":{"magmom":0.0},"label":"Cu","xyz":[5.885426975649213,2.9278513461231186,2.4599153458648715e-7]},{"species":[{"element":"Cu","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.25,0.75],"properties":{"magmom":0.0},"label":"Cu","xyz":[6.193491573705366,0.979072951187108,1.9729779955976823]},{"species":[{"element":"Bi","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7924040409936951,0.39620102049451505,0.39620102049528305],"properties":{"magmom":-0.0},"label":"Bi","xyz":[9.815496119041637,1.5516388285175355,-3.5561123003304045e-6]},{"species":[{"element":"Bi","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.207596959006302,0.6037979795054791,0.603797979504712],"properties":{"magmom":-0.0},"label":"Bi","xyz":[2.263435741489856,2.355281580603387,1.9729758787687468]},{"species":[{"element":"Se","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.382964896663097,0.19148194833039803,0.191481948330775],"properties":{"magmom":0.0},"label":"Se","xyz":[4.743780029652208,0.7498991944614293,-1.7845685565206058e-6]},{"species":[{"element":"Se","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.617035103336903,0.8085170516696031,0.808517051669227],"properties":{"magmom":0.0},"label":"Se","xyz":[7.33513913583157,3.1570212052920126,1.9729760802022822]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.12139390888727002,0.56069595444287,0.06069695444312301],"properties":{"magmom":-0.0},"label":"O","xyz":[1.1956403210937208,2.1864814825477645,5.972172752496435e-8]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.878606091112729,0.9393030455571321,0.43930304555687605],"properties":{"magmom":-0.0},"label":"O","xyz":[10.57521424633389,3.669217312141692,4.322613400336766e-7]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.12139390888727002,0.060696954442867004,0.560695954443126],"properties":{"magmom":-0.0},"label":"O","xyz":[1.5037043030206794,0.2377069851685317,1.972973863372388]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.878606091112729,0.439303045557132,0.939303045556876],"properties":{"magmom":-0.0},"label":"O","xyz":[10.883278844390041,1.7204389172056807,1.9729781818674876]}]} | false | -21.605764 | -21.605764 | -1.518839 | 0 | true | -0.048665 | 0 | null | null | 5.34032 | false | true | false | NM | 0.000076 | 0 | 0.000076 | 0 | 0 | [
"O2-",
"Cu2+",
"Se2-",
"Bi3+",
"La2+"
] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250149 | Ac2B4IrOs3 | 5 | Monoclinic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.926523284453282,0.01016877014699,3.8617420878068263],[3.477344651880659,4.755743543175009,1.85470795109516],[0.03561899108351,-0.069016043902865,5.7164510392432755]],"pbc":[true,true,true],"a":7.073671861048676,"b":6.176484765646995,"c":5.716978608575279,"alpha":72.87423488938622,"beta":56.55858716152707,"gamma":50.45103757711954,"volume":160.09452468976056},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Ac","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0023099743814890003,0.002309974381461,0.997690025618538],"properties":{"magmom":0.0},"label":"Ac","xyz":[0.05725940614635344,-0.0578474832614759,5.716451036932615]},{"species":[{"element":"Ac","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.24887592806254502,0.24887592806260903,0.251124071937383],"properties":{"magmom":0.0},"label":"Ac","xyz":[2.3493411461121347,1.168789260069131,2.8582252706604785]},{"species":[{"element":"B","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.324139634194104,0.669188068187025,0.320979229228115],"properties":{"magmom":-0.0},"label":"B","xyz":[4.259451595781896,3.163630219309536,4.327754147034729]},{"species":[{"element":"B","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.669188068186869,0.32413963419395403,0.6856930683907471],"properties":{"magmom":-0.0},"label":"B","xyz":[5.117527586503725,1.5010059691435609,7.105146937784176]},{"species":[{"element":"B","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5800424627225661,0.9237372845011571,0.576402345946],"properties":{"magmom":-0.0},"label":"B","xyz":[6.6703189373205385,4.35917493522179,7.248213066803477]},{"species":[{"element":"B","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.9237372845008801,0.5800424627223391,0.919817906830743],"properties":{"magmom":-0.0},"label":"B","xyz":[7.524321066745181,2.704444275940917,9.901138546634552]},{"species":[{"element":"Ir","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.634408020628981,0.6344080206290591,0.36559197937105903],"properties":{"magmom":-0.0},"label":"Ir","xyz":[5.978911261199648,2.9983012850874604,5.716450404619112]},{"species":[{"element":"Os","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.36630373890969203,0.36630373890955703,0.6336962610903141],"properties":{"magmom":0.0},"label":"Os","xyz":[3.4672436067650527,1.7020362907084554,5.716450672814306]},{"species":[{"element":"Os","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6156817952164031,0.6156817952162751,0.8843182047835471],"properties":{"magmom":0.0},"label":"Os","xyz":[5.821288815270778,2.873253304863996,8.57467594297247]},{"species":[{"element":"Os","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8853130931964651,0.885313093196565,0.6146869068035481],"properties":{"magmom":0.0},"label":"Os","xyz":[8.347261938179795,4.176901313464224,8.574675673249933]}]} | false | -38.369831 | -38.369831 | -0.57229 | 0 | true | -0.082727 | 0 | null | null | 7.435353 | false | true | false | NM | 0.000001 | 0 | 0.000001 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250150 | GdCuH6Ru | 216 | Cubic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.172312374635098,-5.001153000000003e-10,2.408885717032371],[1.39077112394017,3.933693919772136,2.408885717032371],[0.0,0.0,4.817771434064743]],"pbc":[true,true,true],"a":4.817771367474356,"b":4.817771535820336,"c":4.817771434064743,"alpha":60.00000069867322,"beta":59.99999954277776,"gamma":59.99999690364917,"volume":79.0721545724363},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Gd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.25,0.25,0.25],"properties":{"magmom":-6.922},"label":"Gd","xyz":[1.390770874643817,0.9834234798180052,2.408885717032371]},{"species":[{"element":"Cu","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.75,0.75,0.75],"properties":{"magmom":0.011},"label":"Cu","xyz":[4.172312623931451,2.9502704394540156,7.226657151097114]},{"species":[{"element":"H","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.752143459748779,0.75214345974868,0.24785654025127],"properties":{"magmom":0.006},"label":"H","xyz":[4.184236869489607,2.9587021540336025,4.81777143406474]},{"species":[{"element":"H","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.24785654025113502,0.752143459748808,0.24785654025125503],"properties":{"magmom":0.006},"label":"H","xyz":[2.0801943149031508,2.958702154286308,3.6030018764008482]},{"species":[{"element":"H","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7521434597488651,0.24785654025119103,0.24785654025119902],"properties":{"magmom":0.006},"label":"H","xyz":[3.4828891836721163,0.9749917649857094,3.603001876400851]},{"species":[{"element":"H","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.24785654025122003,0.247856540251319,0.75214345974873],"properties":{"magmom":0.006},"label":"H","xyz":[1.3788466290856565,0.9749917652384145,4.81777143406474]},{"species":[{"element":"H","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7521434597488651,0.24785654025119103,0.7521434597487441],"properties":{"magmom":0.006},"label":"H","xyz":[3.4828891836721163,0.9749917649857094,6.03254099172863]},{"species":[{"element":"H","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.24785654025113502,0.752143459748808,0.752143459748801],"properties":{"magmom":0.006},"label":"H","xyz":[2.0801943149031508,2.958702154286308,6.032540991728632]},{"species":[{"element":"Ru","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.0],"properties":{"magmom":0.04},"label":"Ru","xyz":[0.0,0.0,0.0]}]} | false | -11.498264 | -11.498264 | -0.342818 | 0 | true | -0.043038 | 1.9607 | 5.3155 | 3.3548 | 3.38954 | false | false | true | FM | 6.999999 | 0.088527 | 6.999999 | 1 | 1 | [
"Cu+",
"Ru2+",
"H-",
"Gd3+"
] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250151 | Nd4Lu2Si3Ge | 38 | Orthorhombic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[7.521419666762538,-0.02352977181868,0.0],[-0.045927603809445,7.521316632435119,0.0],[0.0,0.0,4.434127850007101]],"pbc":[true,true,true],"a":7.521456471570127,"b":7.521456855565738,"c":4.434127850007101,"alpha":90.0,"beta":90.0,"gamma":90.52910402555396,"volume":250.83816096144346},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Nd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.678384414219799,0.176526869964234,0.5],"properties":{"magmom":0.019},"label":"Nd","xyz":[5.0943064185925415,1.311752252661764,2.2170639250035507]},{"species":[{"element":"Nd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.323473130035736,0.8216155857802221,0.5],"properties":{"magmom":0.019},"label":"Nd","xyz":[2.3952423268126415,6.172019721857493,2.2170639250035507]},{"species":[{"element":"Nd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.175228987162555,0.32477101283744503,0.5],"properties":{"magmom":0.013000000000000001},"label":"Nd","xyz":[1.3030547958249312,2.4385825225031215,2.2170639250035507]},{"species":[{"element":"Nd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.823812638834567,0.6761873611654251,0.5],"properties":{"magmom":0.014},"label":"Nd","xyz":[6.1651849182332965,5.066435122762803,2.2170639250035507]},{"species":[{"element":"Lu","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.501273895284292,0.5022162150276941,0.0],"properties":{"magmom":0.027},"label":"Lu","xyz":[3.7472257470754684,3.7655323107917074,0.0]},{"species":[{"element":"Lu","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.9977837849723051,0.9987261047157291,0.0],"properties":{"magmom":0.027},"label":"Lu","xyz":[7.458881486615925,7.488257637860775,0.0]},{"species":[{"element":"Si","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.11609161806318001,0.615462906819075,0.0],"properties":{"magmom":0.001},"label":"Si","xyz":[0.8449070427028914,4.626359788422087,0.0]},{"species":[{"element":"Si","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8845370931808391,0.383908381936905,0.0],"properties":{"magmom":0.001},"label":"Si","xyz":[6.635342696566608,2.8666835424255943,0.0]},{"species":[{"element":"Si","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6188596026644141,0.8811403973356631,0.0],"properties":{"magmom":-0.0},"label":"Si","xyz":[4.614234119375645,6.6127743007527195,0.0]},{"species":[{"element":"Ge","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.380552835582292,0.11944716441761401,0.0],"properties":{"magmom":0.002},"label":"Ge","xyz":[2.8568116597473683,0.8894456230452096,0.0]}]} | false | -24.207282 | -24.207282 | -0.804775 | 0 | true | -0.022423 | 0 | null | null | 4.747869 | false | true | false | NM | 0.183374 | 0.000731 | 0.183374 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250152 | KRb2DyBr6 | 12 | Monoclinic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[7.000146559164555,-0.024020645857518,-3.915344727141748],[2.338332490076222,6.598093691551831,-3.915344719158999],[0.055856052846924006,0.039321561782737005,8.315616272131011]],"pbc":[true,true,true],"a":8.020757643363092,"b":8.020758285005751,"c":8.315896828916935,"alpha":118.83487761570626,"beta":118.8348815231911,"gamma":60.64189476363951,"volume":386.71157086698975},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"K","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.5,0.500000999999997],"properties":{"magmom":0.0},"label":"K","xyz":[4.697167606899903,3.306697343060087,0.24247172853137963]},{"species":[{"element":"Rb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7457283242591971,0.74572832425845,0.22680911690719802],"properties":{"magmom":0.0},"label":"Rb","xyz":[6.97663699453833,4.911390964621602,-3.9535093353599504]},{"species":[{"element":"Rb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.254271675740803,0.254271675741549,0.7731928830928041],"properties":{"magmom":0.0},"label":"Rb","xyz":[2.417698219261475,1.7020037214985662,4.43845279242278]},{"species":[{"element":"Dy","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.0],"properties":{"magmom":-0.0},"label":"Dy","xyz":[0.0,0.0,0.0]},{"species":[{"element":"Br","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.697075862746636,0.179069525476187,0.166138752887555],"properties":{"magmom":-0.0},"label":"Br","xyz":[5.307637146447237,1.1713061291949236,-2.0488651076150175]},{"species":[{"element":"Br","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.179069525475988,0.6970758627468421,0.16613875288693603],"properties":{"magmom":-0.0},"label":"Br","xyz":[2.8927879154819958,4.601603322103807,-2.0488651034850776]},{"species":[{"element":"Br","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.22716724805722702,0.227167248058968,0.33209136540543904],"properties":{"magmom":0.0},"label":"Br","xyz":[2.139945899516261,1.5064724334713606,0.9826681900859465]},{"species":[{"element":"Br","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.772832751942772,0.7728327519410311,0.6679086345945601],"properties":{"magmom":0.0},"label":"Br","xyz":[7.25438920257143,5.106922174005684,-0.4977413642556824]},{"species":[{"element":"Br","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.820930474524011,0.302925137253154,0.8338602471130651],"properties":{"magmom":-0.0},"label":"Br","xyz":[6.501549469082126,2.0117978441453475,2.5337796983543783]},{"species":[{"element":"Br","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.30292513725336,0.8209304745238121,0.8338602471124471],"properties":{"magmom":-0.0},"label":"Br","xyz":[4.0867048999309405,5.442088414939914,2.5337797024843187]}]} | false | -16.631128 | -16.631128 | -2.089621 | 0 | true | -0.026711 | 5.0534 | 3.1827 | -1.8707 | -1.870274 | false | false | false | NM | 0 | 0 | 0 | 0 | 0 | [
"Br-",
"K+",
"Rb+",
"Dy3+"
] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250153 | KHoH6Ru | 216 | Cubic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.44187324166193,-1.02026515e-8,2.564517332149261],[1.4806253972860381,4.187838410961219,2.56451733214926],[-8.0202453e-9,-5.6711692e-9,5.12903269215423]],"pbc":[true,true,true],"a":5.129033733744225,"b":5.1290341459483955,"c":5.12903269215423,"alpha":59.99999674649114,"beta":59.99999408797747,"gamma":59.99998777946976,"volume":95.40948354317979},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"K","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.75,0.75,0.75],"properties":{"magmom":-0.0},"label":"K","xyz":[4.441873973195792,3.140878796315549,7.693550517339563]},{"species":[{"element":"Ho","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.25,0.25,0.25],"properties":{"magmom":0.0},"label":"Ho","xyz":[1.4806246577319306,1.0469595987718496,2.564516839113188]},{"species":[{"element":"H","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7643709206897351,0.7643709206896211,0.23562907931019303],"properties":{"magmom":0.0},"label":"H","xyz":[4.526985735546389,3.201061892750884,5.129034199603317]},{"species":[{"element":"H","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.235629079310221,0.764370920689856,0.23562907931010102],"properties":{"magmom":0.0},"label":"H","xyz":[2.1783814985760173,3.201061898146437,3.7730665831531676]},{"species":[{"element":"H","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7643709206899131,0.23562907931027102,0.23562907931005103],"properties":{"magmom":0.0},"label":"H","xyz":[3.7441171365931285,0.9867764999400779,3.7730665831531867]},{"species":[{"element":"H","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.23562907931026403,0.23562907931037802,0.764370920689806],"properties":{"magmom":0.0},"label":"H","xyz":[1.3955128953813278,0.9867765023365104,5.129033156849426]},{"species":[{"element":"H","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7643709206897781,0.235629079310143,0.7643709206898991],"properties":{"magmom":0.0},"label":"H","xyz":[3.7441171323517,0.9867764969409575,6.485000773299579]},{"species":[{"element":"H","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.23562907931008603,0.764370920689728,0.764370920689948],"properties":{"magmom":0.0},"label":"H","xyz":[2.1783814943345887,3.2010618951473164,6.485000773299555]},{"species":[{"element":"Ru","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.0],"properties":{"magmom":-0.0},"label":"Ru","xyz":[0.0,0.0,0.0]}]} | false | -9.933604 | -9.933604 | -0.483069 | 0 | true | -0.039241 | 2.7404 | 4.0484 | 1.308 | 1.359534 | false | false | false | NM | 0 | 0 | 0 | 0 | 0 | [
"K+",
"Ru2+",
"Ho3+",
"H-"
] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250154 | Nd3Mg3Si2Ag | 189 | Hexagonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[7.429615234615076,0.0,0.0],[-3.714807617307538,6.434234925673337,0.0],[0.0,0.0,4.440982065410426]],"pbc":[true,true,true],"a":7.429615234615076,"b":7.429614708203965,"c":4.440982065410426,"alpha":90.0,"beta":90.0,"gamma":120.00000234380116,"volume":212.29621737800792},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Nd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5797982370331091,0.0,0.0],"properties":{"magmom":0.0},"label":"Nd","xyz":[4.30767781486415,0.0,0.0]},{"species":[{"element":"Nd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.999999999999964,0.579798237033031,0.0],"properties":{"magmom":0.0},"label":"Nd","xyz":[5.275776327183023,3.7305580665617564,0.0]},{"species":[{"element":"Nd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.420201762966932,0.42020176296696804,0.0],"properties":{"magmom":0.0},"label":"Nd","xyz":[1.5609687098754816,2.703676859111575,0.0]},{"species":[{"element":"Mg","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.24685079024830903,0.0,0.5],"properties":{"magmom":-0.0},"label":"Mg","xyz":[1.8340063919056073,0.0,2.220491032705213]},{"species":[{"element":"Mg","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[1.4199999999999991e-14,0.24685079024834503,0.5],"properties":{"magmom":-0.0},"label":"Mg","xyz":[-0.9170031959528319,1.5882959760459647,2.220491032705213]},{"species":[{"element":"Mg","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7531492097516761,0.7531492097516541,0.5],"properties":{"magmom":-0.0},"label":"Mg","xyz":[2.7978044213547606,4.845938949627366,2.220491032705213]},{"species":[{"element":"Si","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.5],"properties":{"magmom":-0.0},"label":"Si","xyz":[-3.714807579986492e-6,4.289492095193841,2.220491032705213]},{"species":[{"element":"Si","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.5],"properties":{"magmom":-0.0},"label":"Si","xyz":[3.7148113321151137,2.14474283047949,2.220491032705213]},{"species":[{"element":"Ag","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.0],"properties":{"magmom":0.0},"label":"Ag","xyz":[0.0,0.0,0.0]}]} | false | -16.078261 | -16.078261 | -0.55989 | 0 | true | -0.054815 | 0.0536 | 4.5349 | 4.4813 | 4.486362 | false | false | false | NM | 0 | 0 | 0 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250155 | Ac2Pt2Pb | 127 | Tetragonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[8.293352681768408,0.0,0.0],[0.0,8.293352681768408,0.0],[0.0,0.0,4.007148884430901]],"pbc":[true,true,true],"a":8.293352681768408,"b":8.293352681768408,"c":4.007148884430901,"alpha":90.0,"beta":90.0,"gamma":90.0,"volume":275.6104929340094},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Ac","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6738098581138411,0.173807858113839,0.500000999999997],"properties":{"magmom":0.0},"label":"Ac","xyz":[5.588142793790414,1.4414498662008295,2.003578449364323]},{"species":[{"element":"Ac","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.173807858113839,0.326191141886155,0.500000999999997],"properties":{"magmom":0.0},"label":"Ac","xyz":[1.4414498662008295,2.705218181330643,2.003578449364323]},{"species":[{"element":"Ac","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8261911418861551,0.6738098581138411,0.500000999999997],"properties":{"magmom":0.0},"label":"Ac","xyz":[6.851894522214847,5.588142793790414,2.003578449364323]},{"species":[{"element":"Ac","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.326191141886155,0.8261911418861551,0.500000999999997],"properties":{"magmom":0.0},"label":"Ac","xyz":[2.705218181330643,6.851894522214847,2.003578449364323]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.37518299835873103,0.12481700164126801,0.0],"properties":{"magmom":-0.0},"label":"Pt","xyz":[3.111524925592294,1.0351514152919017,0.0]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.875182998358731,0.37518299835873103,0.0],"properties":{"magmom":-0.0},"label":"Pt","xyz":[7.258201266476497,3.111524925592294,0.0]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.12481700164126801,0.6248170016412681,0.0],"properties":{"magmom":-0.0},"label":"Pt","xyz":[1.0351514152919017,5.181827756176106,0.0]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6248170016412681,0.875182998358731,0.0],"properties":{"magmom":-0.0},"label":"Pt","xyz":[5.181827756176106,7.258201266476497,0.0]},{"species":[{"element":"Pb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.0],"properties":{"magmom":-0.0},"label":"Pb","xyz":[0.0,0.0,0.0]},{"species":[{"element":"Pb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.5,0.0],"properties":{"magmom":-0.0},"label":"Pb","xyz":[4.146676340884204,4.146676340884204,0.0]}]} | false | -60.408716 | -60.408716 | -1.101611 | 0 | true | -0.97687 | 0 | null | null | 8.015284 | false | true | false | NM | 0.000001 | 0 | 0.000001 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250156 | Ac4Al3IrI2 | 156 | Trigonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.461611631390175,1.0507704e-9,0.0],[-2.230806313887774,3.863869288983223,0.0],[0.0,0.0,18.828242805237277]],"pbc":[true,true,true],"a":4.461611631390175,"b":4.461612118105884,"c":18.828242805237277,"alpha":90.0,"beta":90.0,"gamma":120.00000376535026,"volume":324.5816623842863},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Ac","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.39851514035872504],"properties":{"magmom":-0.023},"label":"Ac","xyz":[0.0,0.0,7.503339824237289]},{"species":[{"element":"Ac","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.881120854247704],"properties":{"magmom":-0.007},"label":"Ac","xyz":[0.0,0.0,16.589957384533857]},{"species":[{"element":"Ac","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.605525985502239],"properties":{"magmom":0.035},"label":"Ac","xyz":[0.0,0.0,11.400990279916744]},{"species":[{"element":"Ac","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.11699064342067801],"properties":{"magmom":-0.008},"label":"Ac","xyz":[0.0,0.0,2.2027282402654604]},{"species":[{"element":"Al","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.9934550821724241],"properties":{"magmom":0.0},"label":"Al","xyz":[-2.5629344168266148e-6,2.5759141476288194,18.70501350323935]},{"species":[{"element":"Al","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.502805159618525],"properties":{"magmom":0.015},"label":"Al","xyz":[-2.5629344168266148e-6,2.5759141476288194,9.466937629023674]},{"species":[{"element":"Al","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.004520173591934001],"properties":{"magmom":0.001},"label":"Al","xyz":[2.230807880436816,1.2879551424051703,0.08510692591075489]},{"species":[{"element":"Ir","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.49753105205056103],"properties":{"magmom":0.069},"label":"Ir","xyz":[2.230807880436816,1.2879551424051703,9.36763545115311]},{"species":[{"element":"I","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.25007138107201804],"properties":{"magmom":-0.001},"label":"I","xyz":[-2.5629344168266148e-6,2.5759141476288194,4.708404681464973]},{"species":[{"element":"I","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.749464527965166],"properties":{"magmom":0.001},"label":"I","xyz":[2.230807880436816,1.2879551424051703,14.11110010644069]}]} | false | -40.622308 | -40.622308 | -1.000014 | 0 | true | -0.001543 | 0 | null | null | 6.547737 | false | true | false | NM | 0.136775 | 0.000421 | 0.136775 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250157 | YbHoReH6 | 216 | Cubic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.339795755488107,1.6285126000000002e-9,2.505582350844145],[1.446598586698078,4.091599885345344,2.505582350844146],[4.6061287000000005e-9,3.2570258e-9,5.011165685684187]],"pbc":[true,true,true],"a":5.0111645469106545,"b":5.011165534050595,"c":5.011165685684187,"alpha":60.00000544192976,"beta":59.99999892561606,"gamma":60.00000580005766,"volume":88.98180481350416},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Yb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7499990000000021,0.7499990000000021,0.7499990000000021],"properties":{"magmom":-0.008},"label":"Yb","xyz":[4.339789973699901,3.06869582607328,7.5167377681989915]},{"species":[{"element":"Ho","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.25,0.25,0.25],"properties":{"magmom":-0.008},"label":"Ho","xyz":[1.4465985866980784,1.0228999725577206,2.5055825968431193]},{"species":[{"element":"Re","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.0],"properties":{"magmom":-0.013000000000000001},"label":"Re","xyz":[0.0,0.0,0.0]},{"species":[{"element":"H","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7511468362471301,0.24885416375322902,0.248854163753009],"properties":{"magmom":-0.0},"label":"H","xyz":[3.619815934419223,1.0182116699142,3.7526343025661077]},{"species":[{"element":"H","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.248854163752518,0.7511468362464271,0.24885416375372602],"properties":{"magmom":-0.0},"label":"H","xyz":[2.1665841964517885,3.0733923102791856,3.752634302566159]},{"species":[{"element":"H","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.751145836248021,0.7511458362466,0.24885516375304903],"properties":{"magmom":-0.0},"label":"H","xyz":[4.346426018166463,3.0733882194979993,5.011169957727255]},{"species":[{"element":"H","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.24885416375197802,0.24885416375339903,0.7511468362469521],"properties":{"magmom":-0.0},"label":"H","xyz":[1.4399683286258549,1.0182116707328857,5.011170451976596]},{"species":[{"element":"H","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7511458362474811,0.24885516375357503,0.7511458362462731],"properties":{"magmom":-0.0},"label":"H","xyz":[3.6198130435376985,1.0182157631514763,6.269701095971019]},{"species":[{"element":"H","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.248855163752871,0.75114583624677,0.7511458362469831],"properties":{"magmom":-0.0},"label":"H","xyz":[2.1665870919646055,3.073388220316682,6.269701095971032]}]} | false | -16.400556 | -16.400556 | -0.561444 | 0.034269 | false | null | 0 | null | null | 4.832485 | false | true | false | NM | 0.031038 | 0.000349 | 0.031038 | 0 | 0 | [
"Re2+",
"Ho2+",
"Yb2+",
"H-"
] | true | null | null | null | null | null | null | null | false | false | false | true | true |
mp-3250158 | Pr2UIr2 | 15 | Monoclinic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[6.278731236605759,-0.020395433727158,-1.042653284326792],[3.082874840172596,5.46980554176689,-1.042653281929367],[0.05104890182240401,0.029715215178263,7.344220004125546]],"pbc":[true,true,true],"a":6.364747268082469,"b":6.364747898482003,"c":7.344457532955596,"alpha":99.03094508075081,"beta":99.0309429563956,"gamma":59.87399734273621,"volume":253.07878970215404},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Pr","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.027348042027924003,0.26927907690108505,0.143329879092284],"properties":{"magmom":0.07},"label":"Pr","xyz":[1.009181529829989,1.4766054901353813,0.7433669260922993]},{"species":[{"element":"Pr","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.730720923099013,0.972651957971962,0.356671120907719],"properties":{"magmom":0.07},"label":"Pr","xyz":[7.604772203613647,5.315912258870986,0.8434438545143693]},{"species":[{"element":"Pr","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.269279076900986,0.027348042028037003,0.643329879092277],"properties":{"magmom":0.07},"label":"Pr","xyz":[1.8078828260360038,0.1632130940622192,4.4154769275749945]},{"species":[{"element":"Pr","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.972651957972075,0.730720923098914,0.8566701209077151],"properties":{"magmom":0.07},"label":"Pr","xyz":[8.403473448770761,4.002519833082609,4.515546511777083]},{"species":[{"element":"U","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.41280303697840903,0.5871969630218881,0.24999999999990002],"properties":{"magmom":1.5390000000000001},"label":"U","xyz":[4.414896291823592,3.210862709257311,0.7934017181113112]},{"species":[{"element":"U","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5871969630215901,0.41280303697811105,0.750000000000099],"properties":{"magmom":1.5390000000000001},"label":"U","xyz":[4.997758686777159,2.268262613960679,4.465511719758071]},{"species":[{"element":"Ir","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.510439793192347,0.202265046415313,0.9850113665283401],"properties":{"magmom":-0.101},"label":"Ir","xyz":[3.8787558451073405,1.1252096555238822,6.491036141060865]},{"species":[{"element":"Ir","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.797734953584402,0.48956020680778006,0.5149886334717161],"properties":{"magmom":-0.101},"label":"Ir","xyz":[6.544305820109781,2.6768319799060434,2.439987298133047]},{"species":[{"element":"Ir","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.202265046415597,0.510439793192219,0.48501236652828006],"properties":{"magmom":-0.101},"label":"Ir","xyz":[2.8683492095398715,2.8022933730271613,2.818933483956318]},{"species":[{"element":"Ir","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.48956020680765205,0.797734953584686,0.014987633471662001],"properties":{"magmom":-0.101},"label":"Ir","xyz":[5.533899082444507,4.353915637978893,-1.2321300474114645]}]} | false | -49.352875 | -49.352875 | -0.659144 | 0 | true | -0.062669 | 0 | null | null | 6.535857 | false | true | true | FM | 3.671657 | 0.014508 | 1.835828 | 6 | 2 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250159 | PaNiAsH2 | 194 | Hexagonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[3.9431971026027632,3.50371255e-8,0.0],[-1.9715994898409261,3.414909000459202,0.0],[0.0,0.0,8.710642477216846]],"pbc":[true,true,true],"a":3.9431971026027637,"b":3.9431976909303277,"c":8.710642477216846,"alpha":90.0,"beta":90.0,"gamma":120.00001030231886,"volume":117.29454427726803},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Pa","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.5],"properties":{"magmom":-0.0},"label":"Pa","xyz":[0.0,0.0,4.355321238608423]},{"species":[{"element":"Pa","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.0],"properties":{"magmom":-0.0},"label":"Pa","xyz":[0.0,0.0,0.0]},{"species":[{"element":"Ni","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.75],"properties":{"magmom":0.0},"label":"Ni","xyz":[1.9716002100537093,1.138301885208173,6.532981857912635]},{"species":[{"element":"Ni","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.25],"properties":{"magmom":0.0},"label":"Ni","xyz":[-2.597291874059505e-6,2.2766071502881515,2.1776606193042114]},{"species":[{"element":"As","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.75],"properties":{"magmom":0.0},"label":"As","xyz":[-2.597291874059505e-6,2.2766071502881515,6.532981857912635]},{"species":[{"element":"As","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.25],"properties":{"magmom":0.0},"label":"As","xyz":[1.9716002100537093,1.138301885208173,2.1776606193042114]},{"species":[{"element":"H","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.44787949956278705],"properties":{"magmom":-0.0},"label":"H","xyz":[-2.597291874059505e-6,2.2766071502881515,3.9013181935662367]},{"species":[{"element":"H","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.5521205004372121],"properties":{"magmom":-0.0},"label":"H","xyz":[1.9716002100537093,1.138301885208173,4.809324283650601]},{"species":[{"element":"H","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.052120500437212],"properties":{"magmom":-0.0},"label":"H","xyz":[-2.597291874059505e-6,2.2766071502881515,0.45400304504217803]},{"species":[{"element":"H","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.947879499562787],"properties":{"magmom":-0.0},"label":"H","xyz":[1.9716002100537093,1.138301885208173,8.256639432174659]}]} | false | -22.728615 | -22.728615 | -0.637517 | 0 | true | -0.132452 | 0.1447 | 10.1051 | 9.9604 | 10.017981 | false | false | false | NM | 0 | 0 | 0 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250160 | Nd4Lu2Si3Au | 38 | Orthorhombic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[7.572081344570794,-0.10690455737550901,0.0],[-0.10690455737550901,7.572081344570794,0.0],[0.0,0.0,4.439880364908138]],"pbc":[true,true,true],"a":7.572835959743529,"b":7.572835959743529,"c":4.439880364908138,"alpha":90.0,"beta":90.0,"gamma":91.61772510119826,"volume":254.51608555145555},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Nd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.326213396372587,0.8176558586371101,0.5],"properties":{"magmom":0.05},"label":"Nd","xyz":[2.382703235368852,6.156482974715903,2.219940182454069]},{"species":[{"element":"Nd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.823057334382816,0.6769426656171831,0.5],"properties":{"magmom":0.04},"label":"Nd","xyz":[6.159888831155885,5.037876349637036,2.219940182454069]},{"species":[{"element":"Nd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.168765214579799,0.3312347854202,0.5],"properties":{"magmom":0.0},"label":"Nd","xyz":[1.2424934248094648,2.49009496878817,2.219940182454069]},{"species":[{"element":"Nd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.682344141362889,0.17378660362741202,0.5],"properties":{"magmom":0.05},"label":"Nd","xyz":[5.148186763452527,1.2429806008532742,2.219940182454069]},{"species":[{"element":"Lu","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0052907614941940006,0.0061125834485620005,0.0],"properties":{"magmom":0.079},"label":"Lu","xyz":[0.03940861338077051,0.045719372582272336,0.0]},{"species":[{"element":"Lu","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.49388741655143703,0.49470923850580506,0.0],"properties":{"magmom":0.079},"label":"Lu","xyz":[3.686869021015363,3.693179780216865,0.0]},{"species":[{"element":"Si","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.881202119053313,0.386744113475721,0.0],"properties":{"magmom":0.002},"label":"Si","xyz":[6.631189418211138,2.8342533642763224,0.0]},{"species":[{"element":"Si","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.11325588652427801,0.6187978809466871,0.0],"properties":{"magmom":0.002},"label":"Si","xyz":[0.7914304719458038,4.673480319957299,0.0]},{"species":[{"element":"Si","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6262831933155361,0.873716806684463,0.0],"properties":{"magmom":-0.003},"label":"Si","xyz":[4.648862976032649,6.548902204760272,0.0]},{"species":[{"element":"Au","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.37970053636315904,0.12029946363684,0.0],"properties":{"magmom":0.036000000000000004},"label":"Au","xyz":[2.8622627870063937,0.8703256065912419,0.0]}]} | false | -27.838908 | -27.838908 | -0.765103 | 0 | true | -0.010975 | 0 | null | null | 4.758245 | false | true | false | NM | 0.656016 | 0.002578 | 0.656016 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250161 | Yb6Cr2HN6 | 148 | Trigonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.848977960159829,0.002565788962537,-0.6503253126223341],[-0.7269204535575501,5.80363109437709,-0.6503237817615101],[0.002263332999809,0.0025635755833790003,5.885019258581487]],"pbc":[true,true,true],"a":5.885021051274648,"b":5.885020666620087,"c":5.885020252171698,"alpha":96.32239610765885,"beta":96.32239075031389,"gamma":96.32238460354223,"volume":199.7992831432921},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Yb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6257252734630111,0.112903388382442,0.7849531840010181],"properties":{"magmom":0.0},"label":"Yb","xyz":[3.57955816175364,0.658867381293706,4.139115862343762]},{"species":[{"element":"Yb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.11290338838227801,0.784953184000841,0.625725273461824],"properties":{"magmom":0.0},"label":"Yb","xyz":[0.0911871304002156,4.557472486598277,3.098507630433011]},{"species":[{"element":"Yb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.784953184001778,0.62572527346272,0.11290338838199401],"properties":{"magmom":0.0},"label":"Yb","xyz":[4.136576911360455,3.633782114191207,-0.25296033597474393]},{"species":[{"element":"Yb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.374274726536988,0.887096611617558,0.215046815998981],"properties":{"magmom":0.0},"label":"Yb","xyz":[1.5447626778484431,5.149893077629301,0.44525430185387543]},{"species":[{"element":"Yb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.887096611617721,0.215046815999159,0.374274726538175],"properties":{"magmom":0.0},"label":"Yb","xyz":[5.033133709201866,1.2512879723247297,1.485862533764627]},{"species":[{"element":"Yb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.215046815998221,0.37427472653727906,0.887096611618005],"properties":{"magmom":0.0},"label":"Yb","xyz":[0.9877439282416275,2.1749783447317945,4.837330500172382]},{"species":[{"element":"Cr","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.621609316305864,0.6216093163055021,0.62160931630509],"properties":{"magmom":-0.0},"label":"Cr","xyz":[3.185325573637206,3.6107796174535642,2.849687203455578]},{"species":[{"element":"Cr","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.37839068369413503,0.378390683694497,0.37839068369491],"properties":{"magmom":-0.0},"label":"Cr","xyz":[1.9389952659648764,2.197980841469437,1.7346829607420655]},{"species":[{"element":"H","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.0],"properties":{"magmom":0.0},"label":"H","xyz":[0.0,0.0,0.0]},{"species":[{"element":"N","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7263558239424831,0.850754109224759,0.46916403959419706],"properties":{"magmom":-0.0},"label":"N","xyz":[3.631070516982842,4.940529415198344,1.7354062005050983]},{"species":[{"element":"N","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.850754109224631,0.46916403959426106,0.7263558239421141],"properties":{"magmom":-0.0},"label":"N","xyz":[4.636641083021453,2.726899932111203,3.4162425479404748]},{"species":[{"element":"N","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.469164039594034,0.7263558239417941,0.8507541092241191],"properties":{"magmom":-0.0},"label":"N","xyz":[2.218052762151251,4.218885993786764,4.229228600050806]},{"species":[{"element":"N","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.273644176057516,0.14924589077524,0.530835960405802],"properties":{"magmom":-0.0},"label":"N","xyz":[1.4932503226192408,0.8682310437246565,2.8489639636925403]},{"species":[{"element":"N","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.149245890775368,0.530835960405738,0.27364417605788505],"properties":{"magmom":-0.0},"label":"N","xyz":[0.4876797565806292,3.081860526811798,1.1681276162571639]},{"species":[{"element":"N","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.530835960405966,0.273644176058205,0.14924589077588002],"properties":{"magmom":-0.0},"label":"N","xyz":[2.906268077450837,1.5898744651362375,0.35514156414683185]}]} | false | -21.835388 | -21.835388 | -1.332016 | 0.040096 | false | null | 0 | null | null | 5.720104 | false | true | false | NM | 0.000907 | 0.000005 | 0.000907 | 0 | 0 | [
"Cr2.50+",
"H+",
"N3-",
"Yb2+"
] | true | null | null | null | null | null | null | null | false | false | false | true | true |
mp-3250162 | Sm5Dy(RuBr3)2 | 6 | Monoclinic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.148098945186406,0.0,0.0],[0.0,8.602839365996488,0.36824157662129503],[0.0,-0.13134216277684602,11.959768277092955]],"pbc":[true,true,true],"a":4.148098945186406,"b":8.610716986168537,"c":11.960489455096806,"alpha":88.17816701173133,"beta":90.0,"gamma":90.0,"volume":426.99008599047914},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Sm","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.25,0.284032778603418,0.39135419813607003],"properties":{"magmom":0.0},"label":"Sm","xyz":[1.0370247362966014,2.39208706220786,4.785098202179971]},{"species":[{"element":"Sm","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.75,0.716161683109902,0.606659572969036],"properties":{"magmom":-0.0},"label":"Sm","xyz":[3.1110742088898045,6.081343939493136,7.5192284230939865]},{"species":[{"element":"Sm","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.25,0.8685192572147991,0.367583591764407],"properties":{"magmom":0.0},"label":"Sm","xyz":[1.0370247362966014,7.423452432149884,4.716039480566576]},{"species":[{"element":"Sm","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.75,0.13296965974323102,0.632005197942476],"properties":{"magmom":-0.0},"label":"Sm","xyz":[3.1110742088898045,1.0609076937382527,7.607600674456923]},{"species":[{"element":"Sm","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.25,0.8947338554326261,0.8325093267484001],"properties":{"magmom":-0.0},"label":"Sm","xyz":[1.0370247362966014,7.587908058098575,10.286096842010489]},{"species":[{"element":"Dy","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.75,0.10545075671377901,0.17083547974856803],"properties":{"magmom":0.0},"label":"Dy","xyz":[3.1110742088898045,0.8847380196422195,2.0819841042070704]},{"species":[{"element":"Ru","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.25,0.934428903957162,0.6022415715556511],"properties":{"magmom":0.0},"label":"Ru","xyz":[1.0370247362966014,7.959642049165379,7.546765215471576]},{"species":[{"element":"Ru","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.75,0.06671412443833401,0.39745918868788904],"properties":{"magmom":-0.0},"label":"Ru","xyz":[3.1110742088898045,0.5217277465282902,4.7780867106746]},{"species":[{"element":"Br","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.25,0.42603395899461505,0.630540914813956],"properties":{"magmom":-0.0},"label":"Br","xyz":[1.0370247362966014,3.582285106219252,7.698006647155512]},{"species":[{"element":"Br","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.75,0.574093910322041,0.366968063599934],"properties":{"magmom":-0.0},"label":"Br","xyz":[3.1110742088898045,4.8906393123540655,4.600258252414394]},{"species":[{"element":"Br","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.25,0.875466053475705,0.10382164919256101],"properties":{"magmom":0.0},"label":"Br","xyz":[1.0370247362966014,7.517857668486371,1.5640658662989813]},{"species":[{"element":"Br","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.75,0.131392675814396,0.9008810415260691],"properties":{"magmom":0.0},"label":"Br","xyz":[3.1110742088898045,1.0120264195010091,10.822712747976325]},{"species":[{"element":"Br","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.25,0.336257531935281,0.13632753362104202],"properties":{"magmom":0.0},"label":"Br","xyz":[1.0370247362966014,2.874863979733836,1.754269715605895]},{"species":[{"element":"Br","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.75,0.6537448502447271,0.860817669693922],"properties":{"magmom":0.0},"label":"Br","xyz":[3.1110742088898045,5.511000278508692,10.535915892728621]}]} | false | -23.672255 | -23.672255 | -1.454485 | 0 | true | -0.071863 | 0.0636 | 3.778 | 3.7144 | 3.724642 | false | false | false | NM | 0 | 0 | 0 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3250163 | LaYb3Pr5Pt6 | 1 | Triclinic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[7.230002873097036,0.031457369578680006,2.552494236168629],[1.8201159590906961,7.016313967785045,2.557336998825663],[0.028268634920534,0.027110077866485,7.669282227179608]],"pbc":[true,true,true],"a":7.667408815027818,"b":7.686446274100589,"c":7.669382240583345,"alpha":70.31781807802257,"beta":70.3430605462568,"gamma":70.25766218875496,"volume":387.72871098256576},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"La","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.397075275534639,0.15463695582821602,0.6704143335864431],"properties":{"magmom":-0.0},"label":"La","xyz":[3.1712642721610247,1.1156473615926565,6.550587894073472]},{"species":[{"element":"Yb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.9983668257027241,0.999721467854172,0.0008274945953130001],"properties":{"magmom":0.0},"label":"Yb","xyz":[9.03782740866503,7.045788126453933,5.111296556044869]},{"species":[{"element":"Yb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8075232500017571,0.8051150490201661,0.805960259247775],"properties":{"magmom":-0.0},"label":"Yb","xyz":[7.326581563560187,5.696192166818314,10.301285636434283]},{"species":[{"element":"Yb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.19319661480546502,0.19408269245460003,0.194585169306407],"properties":{"magmom":-0.0},"label":"Yb","xyz":[1.7555657431481155,1.3730977823793846,2.4817966766184534]},{"species":[{"element":"Pr","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33155880053235603,0.601678035417897,0.846285762612183],"properties":{"magmom":-0.0},"label":"Pr","xyz":[3.5162182182097226,4.25493484465918,8.875399786981506]},{"species":[{"element":"Pr","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8452046965015391,0.33167046018162605,0.6019148264524571],"properties":{"magmom":0.0},"label":"Pr","xyz":[6.731526392279011,2.370009956795639,7.621827936230567]},{"species":[{"element":"Pr","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.602233481699059,0.8439127310365181,0.331252002908598],"properties":{"magmom":-0.0},"label":"Pr","xyz":[5.899532874735728,5.9490816311618895,6.235831840348871]},{"species":[{"element":"Pr","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.669741266612071,0.39825557055221505,0.15354049568389802],"properties":{"magmom":-0.0},"label":"Pr","xyz":[5.571442981813784,2.8195169157532676,3.9055298230140583]},{"species":[{"element":"Pr","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.15452386344246302,0.6704094861609771,0.39708705237846603],"properties":{"magmom":-0.0},"label":"Pr","xyz":[2.3486560904538067,4.719429417077646,5.154256927559871]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.164495477418164,0.9585213932192711,0.585149107430574],"properties":{"magmom":-0.0},"label":"Pt","xyz":[2.9504642257650695,6.746325072558266,7.358809630898547]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5842332949749001,0.16462970521824602,0.9580577518520671],"properties":{"magmom":-0.0},"label":"Pt","xyz":[4.550736539855495,1.1994451631686085,9.259881043152332]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.9586040895663781,0.5848787654237021,0.163678393843554],"properties":{"magmom":-0.0},"label":"Pt","xyz":[7.999884461568369,4.138285548430477,5.197859316909038]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.835840408880635,0.041382409318636,0.414601458996166],"properties":{"magmom":-0.0},"label":"Pt","xyz":[6.1301695585659495,0.3278851950108413,5.419002193317778]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.41527215493484704,0.836140784635588,0.041656489624188005],"properties":{"magmom":-0.0},"label":"Pt","xyz":[4.525469631555249,5.8808189466043,3.5177489222097096]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.042130499393003,0.414962493678146,0.834988401481901],"properties":{"magmom":-0.0},"label":"Pt","xyz":[1.0834874711084623,2.9354690557726153,7.572498502461884]}]} | false | -40.787605 | -40.787605 | -1.102338 | 0.000733 | false | null | 0 | null | null | 5.764945 | false | true | false | NM | 0.001076 | 0.000003 | 0.001076 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | true | true |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.