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-3249664 | CsHo(SO4)2 | 164 | Trigonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.434320077710061,8.9670312e-9,0.0],[-2.717161023455138,4.706259986954786,0.0],[0.0,0.0,8.489205190870612]],"pbc":[true,true,true],"a":5.434320077710061,"b":5.434321217244656,"c":8.489205190870612,"alpha":90.0,"beta":90.0,"gamma":120.0000049557883,"volume":217.11416614841187},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Cs","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.5],"properties":{"magmom":-0.0},"label":"Cs","xyz":[0.0,0.0,4.244602595435306]},{"species":[{"element":"Ho","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.0],"properties":{"magmom":-0.0},"label":"Ho","xyz":[0.0,0.0,0.0]},{"species":[{"element":"S","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.219319021525358],"properties":{"magmom":0.0},"label":"S","xyz":[-3.3735604114950864e-6,3.1375082297121746,1.8618441759897326]},{"species":[{"element":"S","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.780680978474642],"properties":{"magmom":0.0},"label":"S","xyz":[2.7171624278153317,1.5687517662096377,6.627361014880879]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.18372960014070802,0.37288588259944705,0.15704012777133802],"properties":{"magmom":-0.0},"label":"O","xyz":[-0.014745531481595239,1.7548979106256064,1.333145867851427]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6271141173685061,0.810842717507249,0.15704012777133802],"properties":{"magmom":-0.0},"label":"O","xyz":[1.2047486108679542,3.8160366427414005,1.333145867851427]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.37288588263042705,0.183729600133254,0.8429598722286611],"properties":{"magmom":-0.0},"label":"O","xyz":[1.5271583303360914,0.8646792688700153,7.156059323019178]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.189157282490789,0.8162703998933051,0.15704012777133802],"properties":{"magmom":-0.0},"label":"O","xyz":[-1.1899968971054593,3.841580723249623,1.333145867851427]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.810842717514702,0.627114117406947,0.8429598722286611],"properties":{"magmom":-0.0},"label":"O","xyz":[2.7024088225785072,2.951362085277632,7.156059323019178]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.816270399854865,0.18915728245979502,0.8429598722286611],"properties":{"magmom":-0.0},"label":"O","xyz":[3.9219038275692633,0.8902233570011597,7.156059323019178]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.38909931309191104],"properties":{"magmom":-0.0},"label":"O","xyz":[-3.3735604114950864e-6,3.1375082297121746,3.3031439084640404]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.6109006869080881],"properties":{"magmom":-0.0},"label":"O","xyz":[2.7171624278153317,1.5687517662096377,5.1860612824065635]}]} | false | -12.448161 | -12.448161 | -2.294983 | 0 | true | -0.025671 | 6.1753 | 5.0197 | -1.1556 | -1.126179 | false | false | false | NM | 0 | 0 | 0 | 0 | 0 | [
"O2-",
"Ho3+",
"Cs+",
"S6+"
] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249665 | Ce4Tc7Pt | 164 | Trigonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.189110109820964,0.000047733130259700004,0.0000197925097293],[-2.594513715826991,4.493977833732422,-0.0000161459171799],[0.0000359039161949,-0.00001298043241759999,9.54070646355236]],"pbc":[true,true,true],"a":5.189110110078253,"b":5.189155826524525,"c":9.540706463628746,"alpha":90.00035358991047,"beta":89.99956584342384,"gamma":119.99865446731147,"volume":222.48803113916307},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Ce","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33332196049622104,0.666658869441313,0.435687329785018],"properties":{"magmom":0.0},"label":"Ce","xyz":[4.417374458351339e-6,2.995960437020997,4.156760756827042]},{"species":[{"element":"Ce","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666678039503779,0.333341130558686,0.564312670214981],"properties":{"magmom":0.0},"label":"Ce","xyz":[2.5946278805357124,1.4980521494092631,5.383949353317857]},{"species":[{"element":"Ce","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6666701157311721,0.33333589820256204,0.9339328454640771],"properties":{"magmom":-0.0},"label":"Ce","xyz":[2.5946136094386953,1.498023837108892,8.910386948303913]},{"species":[{"element":"Ce","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33332988426882704,0.6666641017974371,0.066067154535922],"properties":{"magmom":-0.0},"label":"Ce","xyz":[0.000018688471470080243,2.9959887493213677,0.6303231618409867]},{"species":[{"element":"Tc","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.5],"properties":{"magmom":-0.0},"label":"Tc","xyz":[0.00001795195809745,-6.490216208799995e-6,4.77035323177618]},{"species":[{"element":"Tc","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8303569898340221,0.16963749922545102,0.248678620742381],"properties":{"magmom":0.0},"label":"Tc","xyz":[3.868695960785563,0.7623835688713053,2.3725834201599074]},{"species":[{"element":"Tc","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8303569786050811,0.660721331350913,0.24867802565965702],"properties":{"magmom":0.0},"label":"Tc","xyz":[2.5945721644255952,2.9693034249546937,2.372569813651212]},{"species":[{"element":"Tc","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.339276664828688,0.169640732704017,0.24867809111716901],"properties":{"magmom":0.0},"label":"Tc","xyz":[1.3204176922427142,0.7623746592580599,2.372568647396906]},{"species":[{"element":"Tc","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.16964301016597702,0.8303625007745481,0.7513213792576181],"properties":{"magmom":0.0},"label":"Tc","xyz":[-1.2740636628753972,3.7316290175589546,7.168126689984993]},{"species":[{"element":"Tc","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.16964302139491802,0.339278668649086,0.7513219743403421],"properties":{"magmom":0.0},"label":"Tc","xyz":[0.00006013348457075796,1.5247091614755657,7.1681402964936884]},{"species":[{"element":"Tc","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6607233351713121,0.8303592672959821,0.751321908882829],"properties":{"magmom":0.0},"label":"Tc","xyz":[1.2742146056674568,3.7316379271721996,7.168141462747984]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.0],"properties":{"magmom":0.0},"label":"Pt","xyz":[0.0,0.0,0.0]}]} | false | -29.959822 | -29.959822 | -0.242917 | 0 | true | -0.037318 | 0 | null | null | 10.90977 | 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-3249666 | Gd2TiCrO8 | 119 | Tetragonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.808050216645655,0.020518429852834003,-1.673671416728435],[-3.284411438170313,4.790251948017219,-1.6736714182525971],[-0.010763603166919001,-0.020518433769580003,6.044378024306837]],"pbc":[true,true,true],"a":6.0444225808769385,"b":6.0444229035485595,"c":6.04442243411237,"alpha":106.17760575962558,"beta":106.17760693851629,"gamma":116.2806465053502,"volume":168.17599534344262},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Gd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.0],"properties":{"magmom":6.864},"label":"Gd","xyz":[0.0,0.0,0.0]},{"species":[{"element":"Gd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.25,0.75,0.5],"properties":{"magmom":6.868},"label":"Gd","xyz":[-1.0166778260497804,3.5875593515913327,1.3485175942818617]},{"species":[{"element":"Ti","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.75,0.25,0.5],"properties":{"magmom":0.004},"label":"Ti","xyz":[3.5295530013582037,1.2026925925091403,1.3485175950439428]},{"species":[{"element":"Cr","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.5,0.0],"properties":{"magmom":0.01},"label":"Cr","xyz":[1.261819389237671,2.4053851889350266,-1.673671417490516]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.341444700744162,0.519701943844424,0.17825624309954602],"properties":{"magmom":-0.006},"label":"O","xyz":[0.27429427986491967,2.4928516191118764,-0.3638284069652337]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.371724149633031,0.058745730067222,0.31297841956371203],"properties":{"magmom":-0.009000000000000001},"label":"O","xyz":[1.9626786045241047,0.2826122168079278,1.1712947477868065]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.74576631050408,0.058745730069112004,0.6870215804339631],"properties":{"magmom":-0.009000000000000001},"label":"O","xyz":[4.131108205848695,0.28261219483353583,2.806129336188842]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.341444700733781,0.16318945763106202,0.8217437568931131],"properties":{"magmom":-0.006},"label":"O","xyz":[1.4383017231329873,0.7718636316023191,4.122338138767296]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8368105423637431,0.658555299265273,0.17825624310510302],"properties":{"magmom":-0.006},"label":"O","xyz":[2.6953524148297605,3.168158304677973,-1.425302949170307]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.9412542699298071,0.25423368949505204,0.312978419565475],"properties":{"magmom":-0.009000000000000001},"label":"O","xyz":[4.628475253130662,1.230734659093351,-0.10909414581604114]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.941254269933075,0.628275850368609,0.687021580436848],"properties":{"magmom":-0.009000000000000001},"label":"O","xyz":[3.3959408494676726,3.0148160690352404,1.525740442016171]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.480298056158304,0.658555299259248,0.8217437569022291],"properties":{"magmom":-0.006},"label":"O","xyz":[0.6177837478657879,3.147639872275848,3.060863596019802]}]} | false | -16.616684 | -16.616684 | -3.067903 | 0 | true | -0.006752 | 1.5363 | 2.4742 | 0.9379 | 0.979143 | false | false | true | FM | 13.999997 | 0.083246 | 13.999997 | 2 | 2 | [
"Cr6+",
"O2-",
"Ti4+",
"Gd3+"
] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249667 | RbDyMnSe3 | 63 | Orthorhombic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[7.924109754694189,0.086371386495108,0.0],[-6.852463276034961,3.980290249342315,0.0],[0.0,0.0,11.01738861762649]],"pbc":[true,true,true],"a":7.924580457086968,"b":7.924579699795902,"c":11.01738861762649,"alpha":90.0,"beta":90.0,"gamma":149.22511793277766,"volume":354.0119820352127},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Rb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.256475415563279,0.7435245844358811,0.25],"properties":{"magmom":0.003},"label":"Rb","xyz":[-3.0626355673718058,2.9815957908205437,2.7543471544066227]},{"species":[{"element":"Rb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7435245844367201,0.256475415564118,0.75],"properties":{"magmom":0.003},"label":"Rb","xyz":[4.134282046031033,1.0850658450168758,8.263041463219867]},{"species":[{"element":"Dy","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.0],"properties":{"magmom":0.057},"label":"Dy","xyz":[0.0,0.0,0.0]},{"species":[{"element":"Dy","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.5],"properties":{"magmom":0.057},"label":"Dy","xyz":[0.0,0.0,5.508694308813245]},{"species":[{"element":"Mn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.537226493818522,0.46277350618098,0.25],"properties":{"magmom":4.308},"label":"Mn","xyz":[1.0859032439204044,1.8883738714391216,2.7543471544066227]},{"species":[{"element":"Mn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.46277350618147706,0.537226493819019,0.75],"properties":{"magmom":4.308},"label":"Mn","xyz":[-0.01425676526117648,2.178287764398297,8.263041463219867]},{"species":[{"element":"Se","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6219106986860721,0.378089301311249,0.057484490860133006],"properties":{"magmom":0.04},"label":"Se","xyz":[2.3372455817099316,1.5586204487114703,0.6333289752924834]},{"species":[{"element":"Se","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.37808930131392704,0.621910698688751,0.942515509139866],"properties":{"magmom":0.04},"label":"Se","xyz":[-1.2655991030507105,2.5080411871259525,10.384059642333996]},{"species":[{"element":"Se","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.37808930131392704,0.621910698688751,0.5574844908601331],"properties":{"magmom":0.04},"label":"Se","xyz":[-1.2655991030507105,2.5080411871259525,6.142023284105729]},{"species":[{"element":"Se","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6219106986860721,0.378089301311249,0.44251550913986604],"properties":{"magmom":0.04},"label":"Se","xyz":[2.3372455817099316,1.5586204487114703,4.875365333520752]},{"species":[{"element":"Se","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.9399971417878271,0.060002858213167004,0.25],"properties":{"magmom":0.052000000000000005},"label":"Se","xyz":[7.037473138262719,0.3200176479161913,2.7543471544066227]},{"species":[{"element":"Se","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.060002858212172,0.939997141786832,0.75],"properties":{"magmom":0.052000000000000005},"label":"Se","xyz":[-5.965826659603491,3.7466439879212277,8.263041463219867]}]} | false | -18.944217 | -18.944217 | -1.689103 | 0 | true | -0.079445 | 1.1992 | 3.0442 | 1.845 | 1.924994 | false | false | true | FM | 10.000002 | 0.028248 | 5.000001 | 4 | 2 | [
"Se2-",
"Rb+",
"Mn2+",
"Dy3+"
] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249668 | ZrPa3(GeIr)4 | 6 | Monoclinic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.269809707590898,0.0,0.0],[0.0,6.8427874926721834,-0.024113671383699003],[0.0,-0.034460469868755006,7.649693373443587]],"pbc":[true,true,true],"a":4.269809707590898,"b":6.842829980279976,"c":7.649770992107562,"alpha":90.4600121449749,"beta":90.0,"gamma":90.0,"volume":223.50060663539912},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Zr","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.75,0.503878755470758,0.30544449353566705],"properties":{"magmom":-0.0},"label":"Zr","xyz":[3.2023572806931737,3.4374094849924655,2.324406351427976]},{"species":[{"element":"Pa","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.25,0.9950787294691491,0.799170627709848],"properties":{"magmom":-0.0},"label":"Pa","xyz":[1.0674524268977246,6.781572488899432,6.089415253559449]},{"species":[{"element":"Pa","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.25,0.49668503715626805,0.6979053506614711],"properties":{"magmom":-0.0},"label":"Pa","xyz":[1.0674524268977246,3.3746600137426173,5.326785036478692]},{"species":[{"element":"Pa","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.75,0.006894897986903001,0.20079141065674802],"properties":{"magmom":-0.0},"label":"Pa","xyz":[3.2023572806931737,0.040260955351188794,1.5358264622410351]},{"species":[{"element":"Ge","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.25,0.8118328286071651,0.408762089014757],"properties":{"magmom":-0.0},"label":"Ge","xyz":[1.0674524268977246,5.541113392081807,3.1073283736036124]},{"species":[{"element":"Ge","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.25,0.33043999139322705,0.09394099775148801],"properties":{"magmom":-0.0},"label":"Ge","xyz":[1.0674524268977246,2.257893389261822,0.7106517066297482]},{"species":[{"element":"Ge","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.75,0.17830883845484602,0.5809478120278441],"properties":{"magmom":0.0},"label":"Ge","xyz":[3.2023572806931737,1.2001097550400206,4.43977294725064]},{"species":[{"element":"Ge","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.75,0.678740593661174,0.9188708336381871],"properties":{"magmom":-0.0},"label":"Ge","xyz":[3.2023572806931737,4.612812924397708,7.012713199502302]},{"species":[{"element":"Ir","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.25,0.22760429401190402,0.41266222785681306],"properties":{"magmom":-0.0},"label":"Ir","xyz":[1.0674524268977246,1.5432272820741062,3.151251134755409]},{"species":[{"element":"Ir","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.25,0.7212547381376451,0.084487005310713],"properties":{"magmom":0.0},"label":"Ir","xyz":[1.0674524268977246,4.932481439258018,0.6289075849280673]},{"species":[{"element":"Ir","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.75,0.7717288565061291,0.586877203469597],"properties":{"magmom":0.0},"label":"Ir","xyz":[3.2023572806931737,5.260552502847522,4.470821438363374]},{"species":[{"element":"Ir","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.75,0.27755443914481503,0.9101409483668441],"properties":{"magmom":0.0},"label":"Ir","xyz":[3.2023572806931737,1.8678821599882673,6.955606325084885]}]} | false | -44.117984 | -44.117984 | -0.931053 | 0 | true | -0.12887 | 0 | null | null | 10.131569 | false | true | false | NM | 0.000696 | 0.000003 | 0.000696 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249669 | Cs2KTbAs2 | 72 | Orthorhombic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[8.95442392946371,0.217812166763505,3.99576772426272],[-4.857214831929879,5.359321949177405,-6.624602892930724],[-0.099747080960792,-0.21793048554581101,9.80495645758249]],"pbc":[true,true,true],"a":9.807920766136021,"b":9.80817165263131,"c":9.807885312939737,"alpha":133.02519015484884,"beta":66.57789538598742,"gamma":135.65615317884024,"volume":474.49169814994286},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Cs","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8153809673441821,0.265428527850311,0.08083648190621001],"properties":{"magmom":0.0},"label":"Cs","xyz":[6.003960260218884,1.5825000967293414,2.292312544103028]},{"species":[{"element":"Cs","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6845929687148741,0.7654434692391301,0.450064202189267],"properties":{"magmom":-0.0},"label":"Cs","xyz":[2.3673196987975778,4.153287953304721,2.077575373533986]},{"species":[{"element":"Cs","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.315373531134831,0.234563602312704,0.5499639587344021],"properties":{"magmom":-0.0},"label":"Cs","xyz":[1.6298051862116334,1.205940141949245,5.098641326968837]},{"species":[{"element":"Cs","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.18460095227884202,0.73455102314702,0.9191828010233251],"properties":{"magmom":0.0},"label":"Cs","xyz":[-2.006562741222963,3.7765858004126334,4.884061034631399]},{"species":[{"element":"K","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.750002213298614,0.25001610931781204,0.500002716342521],"properties":{"magmom":0.0},"label":"K","xyz":[5.451582000084343,1.3943105947241332,6.243082058369532]},{"species":[{"element":"K","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.250003282975704,0.750006222213194,0.5000095389040731],"properties":{"magmom":0.0},"label":"K","xyz":[-1.4541804590097238,3.965011243898823,0.9330334170148031]},{"species":[{"element":"Tb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.250023513742604,0.250013214746488,0.9999926082511971],"properties":{"magmom":0.0},"label":"Tb","xyz":[0.9247022958848347,1.1764305979869534,9.14768160264629]},{"species":[{"element":"Tb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.749990440610204,0.7499941672189361,0.999994114903302],"properties":{"magmom":-0.0},"label":"Tb","xyz":[2.973103061452753,3.9648880420488672,7.833272820721714]},{"species":[{"element":"As","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.407549151486904,0.6986005272079081,0.10606887256576401],"properties":{"magmom":-0.0},"label":"As","xyz":[0.24553497173944278,3.8096786620206853,-1.9594786509702262]},{"species":[{"element":"As","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.09246731867096901,0.198558918742669,0.291069734688491],"properties":{"magmom":-0.0},"label":"As","xyz":[-0.16548511051938933,1.020848709848701,1.9080300147154337]},{"species":[{"element":"As","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.9075431480065741,0.8014249001651661,0.7089017910318841],"properties":{"magmom":-0.0},"label":"As","xyz":[4.163122285427417,4.338276686047296,5.267961100849442]},{"species":[{"element":"As","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.592469511735707,0.301397317838677,0.8939141794595641],"properties":{"magmom":-0.0},"label":"As","xyz":[3.7521063208234366,1.5495211778425824,9.135522615344176]}]} | false | -20.39258 | -20.39258 | -0.913135 | 0 | true | -0.028523 | 1.5593 | 3.1401 | 1.5808 | 1.614838 | true | false | false | NM | 0 | 0 | 0 | 0 | 0 | [
"As3-",
"K+",
"Cs+",
"Tb3+"
] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249670 | Np4Ni3As4Rh | 156 | Trigonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.151513036850303,-1.6210497e-9,0.0],[-2.075757021335413,3.5953163748123242,0.0],[0.0,0.0,15.468956135583715]],"pbc":[true,true,true],"a":4.151513036850303,"b":4.151513825897355,"c":15.468956135583715,"alpha":90.0,"beta":90.0,"gamma":120.00000174964802,"volume":230.8896825660358},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Np","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.24725035402293802],"properties":{"magmom":-3.643},"label":"Np","xyz":[0.0,0.0,3.824704880888373]},{"species":[{"element":"Np","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.7517333682373241],"properties":{"magmom":-3.685},"label":"Np","xyz":[0.0,0.0,11.628530498917767]},{"species":[{"element":"Np","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.00030564252302400004],"properties":{"magmom":3.775},"label":"Np","xyz":[0.0,0.0,0.0047279707818273925]},{"species":[{"element":"Np","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.49883269811499503],"properties":{"magmom":3.71},"label":"Np","xyz":[0.0,0.0,7.716421126135732]},{"species":[{"element":"Ni","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.876631450386071],"properties":{"magmom":0.014},"label":"Ni","xyz":[2.0757584265450606,1.198437592084627,13.560573453095264]},{"species":[{"element":"Ni","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.6267662155915581],"properties":{"magmom":0.027},"label":"Ni","xyz":[2.0757584265450606,1.198437592084627,9.695419096251618]},{"species":[{"element":"Ni","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.362870098175946],"properties":{"magmom":0.015},"label":"Ni","xyz":[-2.4110301728423726e-6,2.396878781106644,5.613221631598665]},{"species":[{"element":"As","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.6198834120965271],"properties":{"magmom":-0.009000000000000001},"label":"As","xyz":[-2.4110301728423726e-6,2.396878781106644,9.588949310897142]},{"species":[{"element":"As","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.38082481860345],"properties":{"magmom":-0.009000000000000001},"label":"As","xyz":[2.0757584265450606,1.198437592084627,5.890962414318394]},{"species":[{"element":"As","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.11424481197809601],"properties":{"magmom":-0.006},"label":"As","xyz":[2.0757584265450606,1.198437592084627,1.767247985207176]},{"species":[{"element":"As","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.8748075515884041],"properties":{"magmom":-0.002},"label":"As","xyz":[-2.4110301728423726e-6,2.396878781106644,13.532359642598411]},{"species":[{"element":"Rh","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.145850578681638],"properties":{"magmom":0.062},"label":"Rh","xyz":[-2.4110301728423726e-6,2.396878781106644,2.2561562039757597]}]} | false | -38.481079 | -38.481079 | -0.89705 | 0 | true | -0.000143 | 0 | null | null | 9.816721 | false | true | true | FiM | 0.185492 | 0.000803 | 0.185492 | 4 | 4 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249671 | Tb3Mg3AgGe2 | 189 | Hexagonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[7.284816484098795,-3.1876330000000002e-9,0.0],[-3.6424077475762893,6.308835291524746,0.0],[0.0,0.0,4.343189143963867]],"pbc":[true,true,true],"a":7.284816484098795,"b":7.284815504540379,"c":4.343189143963867,"alpha":90.0,"beta":90.0,"gamma":119.99999998244184,"volume":199.6073586835227},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Tb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.577925383179525,0.9999999999999781,0.0],"properties":{"magmom":-0.0},"label":"Tb","xyz":[0.567672610389107,6.308835289682394,0.0]},{"species":[{"element":"Tb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[2.129999999999999e-14,0.5779253831796041,0.0],"properties":{"magmom":-0.0},"label":"Tb","xyz":[-2.1050398932142302,3.6460360532714478,0.0]},{"species":[{"element":"Tb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.42207461682045905,0.422074616820417,0.0],"properties":{"magmom":-0.0},"label":"Tb","xyz":[1.537368271771382,2.662799236908012,0.0]},{"species":[{"element":"Mg","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.24541062322286603,1.4199999999999991e-14,0.5],"properties":{"magmom":0.0},"label":"Mg","xyz":[1.7877713534268413,-7.821894156746346e-10,2.1715945719819336]},{"species":[{"element":"Mg","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.9999999999999851,0.245410623222817,0.5],"properties":{"magmom":0.0},"label":"Mg","xyz":[6.390930928734372,1.5482551975155574,2.1715945719819336]},{"species":[{"element":"Mg","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7545893767771471,0.7545893767771681,0.5],"properties":{"magmom":0.0},"label":"Mg","xyz":[2.748522938460077,4.760580088416107,2.1715945719819336]},{"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":"Ge","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.5],"properties":{"magmom":0.0},"label":"Ge","xyz":[-3.3127593018765164e-6,4.205892296232359,2.1715945719819336]},{"species":[{"element":"Ge","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.5],"properties":{"magmom":0.0},"label":"Ge","xyz":[3.642412049281804,2.1029429921047478,2.1715945719819336]}]} | false | -17.926008 | -17.926008 | -0.671892 | 0 | true | -0.08352 | 0.006 | 4.6904 | 4.6844 | 4.688497 | false | false | false | NM | 0 | 0 | 0 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249672 | LaBeAsH2 | 194 | Hexagonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[3.9716978055894843,2.039078099999999e-9,0.0],[-1.985849399264169,3.43959144854405,0.0],[0.0,0.0,9.50416247399356]],"pbc":[true,true,true],"a":3.9716978055894843,"b":3.971698272710959,"c":9.50416247399356,"alpha":90.0,"beta":90.0,"gamma":120.00000435004561,"volume":129.83653284875206},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"La","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.5],"properties":{"magmom":0.0},"label":"La","xyz":[0.0,0.0,4.75208123699678]},{"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":"Be","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.75],"properties":{"magmom":-0.0},"label":"Be","xyz":[-2.3168286662164707e-6,2.2930621129061945,7.12812185549517]},{"species":[{"element":"Be","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.25],"properties":{"magmom":-0.0},"label":"Be","xyz":[1.9858507231539797,1.1465293376769303,2.37604061849839]},{"species":[{"element":"As","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.75],"properties":{"magmom":-0.0},"label":"As","xyz":[1.9858507231539797,1.1465293376769303,7.12812185549517]},{"species":[{"element":"As","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.25],"properties":{"magmom":-0.0},"label":"As","xyz":[-2.3168286662164707e-6,2.2930621129061945,2.37604061849839]},{"species":[{"element":"H","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.07194638049745801],"properties":{"magmom":0.0},"label":"H","xyz":[1.9858507231539797,1.1465293376769303,0.6837900896636026]},{"species":[{"element":"H","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.9280536195025421],"properties":{"magmom":0.0},"label":"H","xyz":[-2.3168286662164707e-6,2.2930621129061945,8.820372384329959]},{"species":[{"element":"H","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.42805361950254106],"properties":{"magmom":0.0},"label":"H","xyz":[1.9858507231539797,1.1465293376769303,4.068291147333168]},{"species":[{"element":"H","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.571946380497458],"properties":{"magmom":0.0},"label":"H","xyz":[-2.3168286662164707e-6,2.2930621129061945,5.435871326660383]}]} | false | -11.937842 | -11.937842 | -0.797742 | 0 | true | -0.002793 | 1.1078 | 8.2506 | 7.1428 | 7.31042 | true | false | false | NM | 0 | 0 | 0 | 0 | 0 | [
"As3-",
"La3+",
"H-",
"Be2+"
] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249673 | Tb2B(PdPt2)2 | 44 | Orthorhombic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.144049835429536,-0.136707021930345,2.903671962786155],[1.58579504084417,4.895425297491083,2.903671962786155],[1e-16,2e-16,5.80734392557231]],"pbc":[true,true,true],"a":5.908574141592716,"b":5.908573907666047,"c":5.80734392557231,"alpha":60.56514602220599,"beta":60.565147302202455,"gamma":62.870794163573,"volume":147.50131498483097},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Tb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.25718197946890303,0.257181979469088,0.249209622605114],"properties":{"magmom":-0.0},"label":"Tb","xyz":[1.7307948267990199,1.2238565858444608,2.9407901942659103]},{"species":[{"element":"Tb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.742819020531101,0.7428190205309161,0.7635715815431111],"properties":{"magmom":-0.0},"label":"Tb","xyz":[4.99905677931959,3.5348664484345718,8.748128312494353]},{"species":[{"element":"B","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.5,0.47575890017189604],"properties":{"magmom":0.0},"label":"B","xyz":[3.364922438136853,2.379359137780369,5.666567521736378]},{"species":[{"element":"Pd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.758875512623411,0.24112448737653103,0.7523331066288531],"properties":{"magmom":-0.0},"label":"Pd","xyz":[4.286067472129758,1.076663304001029,7.272729059574002]},{"species":[{"element":"Pd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.241124487376588,0.7588755126234611,0.752333106628803],"properties":{"magmom":-0.0},"label":"Pd","xyz":[2.4437774041439306,3.6820549715596704,7.272729059574021]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.229539977921795,0.7704600220783171,0.248513344814057],"properties":{"magmom":-0.0},"label":"Pt","xyz":[2.4025567678335937,3.740349755992086,4.3468744262160515]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7704600220782041,0.22953997792168201,0.248513344814171],"properties":{"magmom":-0.0},"label":"Pt","xyz":[4.327288108440106,1.0183685195686476,4.346874426216058]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7543315242542831,0.7543315242538711,0.25055247214292103],"properties":{"magmom":-0.0},"label":"Pt","xyz":[5.0765341435137685,3.589651210298428,5.835706972380934]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.24566847574571601,0.24566847574612802,0.759215520651061],"properties":{"magmom":-0.0},"label":"Pt","xyz":[1.6533107327599317,1.1690670652623059,5.835706972380846]}]} | false | -36.77746 | -36.77746 | -1.036238 | 0 | true | -0.007886 | 0 | null | null | 8.820791 | 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-3249674 | AcTaN2O | 69 | Orthorhombic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.029382328821215,-0.014027888396122,-2.780678540800257],[-1.638444965087908,4.755037724210318,-2.780678537750249],[-0.021463286689686,-0.030009347986847002,5.794276375471885]],"pbc":[true,true,true],"a":5.746917133418491,"b":5.746917329541989,"c":5.794393837925907,"alpha":119.14850883003577,"beta":119.14850392541219,"gamma":90.9973878765869,"volume":137.59534493984134},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Ac","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.25075262147237903,0.25075262147229405,0.0015637327036940002],"properties":{"magmom":-0.0},"label":"Ac","xyz":[0.8502528703615786,1.1887737181574753,-1.3854641669277077]},{"species":[{"element":"Ac","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.749248378527617,0.7492483785277031,0.9984362672963051],"properties":{"magmom":-0.0},"label":"Ac","xyz":[2.519224597619391,3.522231510679696,1.6183779024920213]},{"species":[{"element":"Ta","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.500000999999997,0.0,0.5],"properties":{"magmom":-0.0},"label":"Ta","xyz":[2.503964550448078,-0.022018632219372856,1.5067961366572813]},{"species":[{"element":"Ta","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.500000999999997,0.5],"properties":{"magmom":-0.0},"label":"Ta","xyz":[-0.8299557643337573,2.3625189431494458,1.5067961381822883]},{"species":[{"element":"N","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.750796284922806,0.24920271507721,5.679999999999999e-14],"properties":{"magmom":0.0},"label":"N","xyz":[3.367736634130886,1.1744362246746471,-2.7806757593613614]},{"species":[{"element":"N","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.24920271507718803,0.750796284922792,0.999999999999943],"properties":{"magmom":0.0},"label":"N","xyz":[0.001734051975337805,3.536559522142876,3.0136006176398284]},{"species":[{"element":"N","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7067574459425,0.7067574459422731,0.49840523972275],"properties":{"magmom":-0.0},"label":"N","xyz":[2.3858728159957066,3.3357871864699256,-1.0426328188730363]},{"species":[{"element":"N","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.29324255405749905,0.29324255405772703,0.5015957602772471],"properties":{"magmom":-0.0},"label":"N","xyz":[0.9836012395846224,1.3752132713480762,1.2755579100707757]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7932386925128011,0.206761307487333,0.500000000000362],"properties":{"magmom":-0.0},"label":"O","xyz":[3.640001996088663,0.957025679165828,0.11645964756803363]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.206761307487198,0.7932386925126661,0.499999999999637],"properties":{"magmom":-0.0},"label":"O","xyz":[-0.2705279190450451,3.7539748086615172,0.11645964935334426]}]} | false | -30.487197 | -30.487197 | -2.195328 | 0 | true | -0.123648 | 0.6918 | 7.6242 | 6.9324 | 7.012775 | false | false | false | NM | 0 | 0 | 0 | 0 | 0 | [
"Ta5+",
"N3-",
"O2-",
"Ac3+"
] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249675 | LuPaBIr6 | 216 | Cubic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.028047592146261,-3.00955e-10,2.902945692746418],[1.6760155322694161,4.740488757233256,2.902945692746418],[-6.353644400000003e-9,-4.4927053000000005e-9,5.805889407524108]],"pbc":[true,true,true],"a":5.805889792609122,"b":5.805889717941447,"c":5.805889407524108,"alpha":59.99999056163238,"beta":59.999990987060336,"gamma":59.99999680112882,"volume":138.3857144084666},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Lu","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.75,0.75,0.75],"properties":{"magmom":-0.0},"label":"Lu","xyz":[5.028047338546524,3.5553665643296966,8.708835594762709]},{"species":[{"element":"Pa","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.25,0.25,0.25],"properties":{"magmom":0.0},"label":"Pa","xyz":[1.6760157795155082,1.185122188109899,2.902945198254236]},{"species":[{"element":"B","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.0],"properties":{"magmom":-0.0},"label":"B","xyz":[0.0,0.0,0.0]},{"species":[{"element":"Ir","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7425751646722311,0.742575164672388,0.25742483532668803],"properties":{"magmom":0.0},"label":"Ir","xyz":[4.978270776950681,3.520169218150073,5.805890876308742]},{"species":[{"element":"Ir","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.25742483532862703,0.7425751646724521,0.257424835327476],"properties":{"magmom":0.0},"label":"Ir","xyz":[2.538911831665714,3.5201692182963855,4.3975258174109815]},{"species":[{"element":"Ir","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7425751646723731,0.25742483532855603,0.257424835327555],"properties":{"magmom":0.0},"label":"Ir","xyz":[4.165151289485509,1.2203195363276265,4.397525817411005]},{"species":[{"element":"Ir","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.257424835327768,0.257424835327611,0.7425751646733111],"properties":{"magmom":0.0},"label":"Ir","xyz":[1.7257923411113456,1.2203195342895177,5.805889916708192]},{"species":[{"element":"Ir","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7425751646713721,0.257424835327547,0.742575164672523],"properties":{"magmom":0.0},"label":"Ir","xyz":[4.165151286396312,1.2203195341432058,7.214254975605952]},{"species":[{"element":"Ir","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.257424835327626,0.742575164671443,0.7425751646724451],"properties":{"magmom":0.0},"label":"Ir","xyz":[2.5389118285765173,3.5201692161119644,7.214254975605935]}]} | false | -49.397046 | -49.397046 | -0.903894 | 0 | true | -0.042464 | 0 | null | null | 9.222249 | false | true | false | NM | 0.000576 | 0.000004 | 0.000576 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249676 | Pa2NiBRh5 | 107 | Tetragonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.9604992754272015,-0.047487927150521005,2.9027192148554852],[1.608727301445976,4.692632643326447,2.9027192148554852],[0.0,0.0,5.80543842971097]],"pbc":[true,true,true],"a":5.747572270535629,"b":5.747571965266886,"c":5.80543842971097,"alpha":59.66639113551736,"beta":59.66639291617446,"gamma":60.66721895946469,"volume":135.58134667452632},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Pa","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.748390899115243,0.748390899114966,0.7516091008848911],"properties":{"magmom":0.0},"label":"Pa","xyz":[4.916349384357422,3.476384030658022,8.70815764456643]},{"species":[{"element":"Pa","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.248390899115243,0.248390899114966,0.251609100884891],"properties":{"magmom":0.0},"label":"Pa","xyz":[1.6317360959208331,1.1538116725700587,2.902719214855459]},{"species":[{"element":"Ni","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.757666018858351,0.7576660188569161,0.242333981142365],"properties":{"magmom":0.0},"label":"Ni","xyz":[4.977279747475666,3.519468304119185,5.8054384297109625]},{"species":[{"element":"B","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5097088943290581,0.509708894329797,0.49029110567057105],"properties":{"magmom":0.0},"label":"B","xyz":[3.348393215096279,2.367671577283965,5.805438429710962]},{"species":[{"element":"Rh","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7530297606959021,0.241748126494975,0.24697023930508502],"properties":{"magmom":-0.0},"label":"Rh","xyz":[4.124310393473023,1.0986753274352297,4.321331405918956]},{"species":[{"element":"Rh","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.241748126494037,0.753029760694445,0.24697023930628603],"properties":{"magmom":-0.0},"label":"Rh","xyz":[2.4106109411400376,3.5222119190113315,4.3213314059189765]},{"species":[{"element":"Rh","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.24628651420222503,0.246286514204499,0.7537134857966371],"properties":{"magmom":-0.0},"label":"Rh","xyz":[1.6179119146263683,1.1440365001225237,5.805438429710965]},{"species":[{"element":"Rh","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7530297606959021,0.241748126494975,0.7582518735040361],"properties":{"magmom":-0.0},"label":"Rh","xyz":[4.124310393473023,1.0986753274352297,7.289545453502973]},{"species":[{"element":"Rh","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.241748126494037,0.753029760694445,0.75825187350523],"properties":{"magmom":-0.0},"label":"Rh","xyz":[2.4106109411400376,3.5222119190113315,7.289545453502952]}]} | false | -33.531329 | -33.531329 | -0.895635 | 0 | true | -0.012021 | 0 | null | null | 12.332487 | 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-3249677 | Th2B(Ir2Rh)2 | 44 | Orthorhombic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.126748136257692,-0.022829298710568,2.9782362713305552],[1.6938245573058501,4.838905909477302,2.978236271330556],[-5.0860747000000015e-9,-3.5913297000000006e-9,5.9564705649403304]],"pbc":[true,true,true],"a":5.929077408616813,"b":5.929076093252274,"c":5.9564705649403304,"alpha":59.847030627623234,"beta":59.84703801167301,"gamma":60.25138235009616,"volume":147.99756918030133},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Th","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.750005756518341,0.750005756518035,0.7500398286865391],"properties":{"magmom":-0.0},"label":"Th","xyz":[5.115468779109187,3.612085179213271,8.93497885764262]},{"species":[{"element":"Th","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.249994243481403,0.249994243481708,0.250052341722806],"properties":{"magmom":-0.0},"label":"Th","xyz":[1.7051039093660645,1.2039914279605646,2.978513260287517]},{"species":[{"element":"B","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.500000000000262,0.500000000000262,0.4988241947147],"properties":{"magmom":-0.0},"label":"B","xyz":[3.4102863442465012,2.408038303593187,5.949467904230291]},{"species":[{"element":"Ir","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7555710301068571,0.7555710301043841,0.24537439539577102],"properties":{"magmom":0.0},"label":"Ir","xyz":[5.153427134742325,3.6388879649773753,5.962103458419241]},{"species":[{"element":"Ir","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.757074232190284,0.24292576780985803,0.243427879986533],"properties":{"magmom":0.0},"label":"Ir","xyz":[4.292802538770887,1.1582114587524572,4.428207273156589]},{"species":[{"element":"Ir","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.24292576780874203,0.757074232189175,0.243427879987642],"properties":{"magmom":0.0},"label":"Ir","xyz":[2.5277701523098406,3.6578651502611605,4.42820727315657]},{"species":[{"element":"Ir","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.24442896989317803,0.24442896989565802,0.7565174556051341],"properties":{"magmom":0.0},"label":"Ir","xyz":[1.6671455537257716,1.1771886421914377,5.962108403982574]},{"species":[{"element":"Rh","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.755536706451408,0.24446329355112,0.7561675119496271],"properties":{"magmom":0.0},"label":"Rh","xyz":[4.287524327804863,1.1656864999407743,7.482325798430204]},{"species":[{"element":"Rh","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.244463293549522,0.75553670644981,0.7561675119512251],"properties":{"magmom":0.0},"label":"Rh","xyz":[2.533048358073174,3.6503901053991448,7.482325798430205]}]} | false | -46.632241 | -46.632241 | -0.853713 | 0 | true | -0.001361 | 0 | null | null | 9.248728 | false | true | false | NM | 0.000003 | 0 | 0.000003 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249678 | LiNdFeH6 | 216 | Cubic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.181878187424591,8.37394e-10,2.414408873750554],[1.3939590640520831,3.942713702493096,2.414408873750554],[0.0,0.0,4.828817747501108]],"pbc":[true,true,true],"a":4.828817182717006,"b":4.828818014972732,"c":4.828817747501108,"alpha":60.0000018323097,"beta":59.9999961309556,"gamma":60.00000704903628,"volume":79.61729800131627},"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":[4.181877938607506,2.9570352774978677,7.243226621251662]},{"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":[1.3939593128691685,0.9856784258326226,2.414408873750554]},{"species":[{"element":"Fe","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.0],"properties":{"magmom":-0.0},"label":"Fe","xyz":[0.0,0.0,0.0]},{"species":[{"element":"H","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.231513673792996,0.7684863262070031,0.231513673792996],"properties":{"magmom":-0.0},"label":"H","xyz":[2.0394004625418,3.0299215687087986,3.5323462105513532]},{"species":[{"element":"H","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.768485326207006,0.768485326207006,0.231514673792993],"properties":{"magmom":-0.0},"label":"H","xyz":[4.2849491090782275,3.0299176264447647,4.828817747501104]},{"species":[{"element":"H","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.768485326207006,0.231514673792993,0.231514673792993],"properties":{"magmom":-0.0},"label":"H","xyz":[3.5364340010157536,0.9127960773353778,3.532351039369086]},{"species":[{"element":"H","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.231514673792993,0.768485326207006,0.768485326207006],"properties":{"magmom":-0.0},"label":"H","xyz":[2.0394032504609148,3.0299176259951084,6.125284455633121]},{"species":[{"element":"H","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7684863262070031,0.231513673792996,0.7684863262070031],"properties":{"magmom":-0.0},"label":"H","xyz":[3.5364367889348687,0.912792134621688,6.125289284450854]},{"species":[{"element":"H","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.231513673792996,0.231513673792996,0.7684863262070031],"properties":{"magmom":-0.0},"label":"H","xyz":[1.2908825665612063,0.9127921341720303,4.828817747501104]}]} | false | -7.94845 | -7.94845 | -0.509697 | 0 | true | -0.079447 | 2.0596 | 4.022 | 1.9624 | 2.03665 | false | false | false | NM | 0 | 0 | 0 | 0 | 0 | [
"Nd3+",
"Fe2+",
"Li+",
"H-"
] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249679 | YbMg(Ga2Ni)2 | 38 | Orthorhombic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.044212291376631,0.004896558973521,0.0],[-3.474678761581858,3.6565976105746802,0.0],[0.0,0.0,6.849165081691185]],"pbc":[true,true,true],"a":5.04421466798994,"b":5.044214367158526,"c":6.849165081691185,"alpha":90.0,"beta":90.0,"gamma":133.48308307514372,"volume":126.4470157971332},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Yb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.434614262227754,0.565385737772729,0.75],"properties":{"magmom":-0.0},"label":"Yb","xyz":[0.22775278839663166,2.069516252158495,5.136873811268389]},{"species":[{"element":"Mg","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.567932887555464,0.43206711244404505,0.25],"properties":{"magmom":-0.0},"label":"Mg","xyz":[1.36347963289697,1.5826764878477142,1.7122912704227962]},{"species":[{"element":"Ga","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8522130014090901,0.147786998592252,0.44110238689943004],"properties":{"magmom":0.0},"label":"Ga","xyz":[3.785230951332276,0.5445704971458333,3.0211830658022114]},{"species":[{"element":"Ga","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.145765416073068,0.854234583925176,0.548444798769267],"properties":{"magmom":0.0},"label":"Ga","xyz":[-2.232919062760126,3.1243058874071563,3.7563889649656117]},{"species":[{"element":"Ga","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8522130014090901,0.147786998592252,0.058897613100569006],"properties":{"magmom":0.0},"label":"Ga","xyz":[3.785230951332276,0.5445704971458333,0.4033994750433745]},{"species":[{"element":"Ga","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.145765416073068,0.854234583925176,0.9515552012307321],"properties":{"magmom":0.0},"label":"Ga","xyz":[-2.232919062760126,3.1243058874071563,6.517358657571159]},{"species":[{"element":"Ni","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.286448685894228,0.7135513141059201,0.25],"properties":{"magmom":0.0},"label":"Ni","xyz":[-1.0344536141863172,2.6105726430654994,1.7122912704227962]},{"species":[{"element":"Ni","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.715047329358242,0.284952670642454,0.75],"properties":{"magmom":0.0},"label":"Ni","xyz":[2.6167315349275135,1.0454585260151326,5.136873811268389]}]} | false | -14.323269 | -14.323269 | -0.519116 | 0 | true | -0.0027 | 0 | null | null | 5.868429 | 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-3249680 | NpPaCl5O2 | 38 | Orthorhombic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[8.169536812300406,0.0023085922612640004,0.0],[-3.754804468981142,7.255533858830305,0.0],[0.0,0.0,4.124454338878823]],"pbc":[true,true,true],"a":8.169537138487694,"b":8.169536594992016,"c":4.124454338878823,"alpha":90.0,"beta":90.0,"gamma":117.3457830752952,"volume":244.5101060299676},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Np","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.801598825413378,0.198401174586557,0.0],"properties":{"magmom":3.087},"label":"Np","xyz":[5.803733495922645,1.4413570046894548,0.0]},{"species":[{"element":"Pa","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.198574595180211,0.801425404819738,0.0],"properties":{"magmom":0.037},"label":"Pa","xyz":[-1.3869332262597887,5.81522758777011,0.0]},{"species":[{"element":"Cl","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8339904047386211,0.554266064766878,0.0],"properties":{"magmom":-0.011},"label":"Cl","xyz":[4.732154615626215,4.023421543511063,0.0]},{"species":[{"element":"Cl","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.17336707938002102,0.458300150366149,0.0],"properties":{"magmom":-0.01},"label":"Cl","xyz":[-0.3044987156934575,3.325612492386429,0.0]},{"species":[{"element":"Cl","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.004819844208562,0.9951801557913241,0.0],"properties":{"magmom":-0.01},"label":"Cl","xyz":[-3.6973310017152126,7.2205744430350105,0.0]},{"species":[{"element":"Cl","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5416998496340141,0.8266329206200991,0.0],"properties":{"magmom":-0.01},"label":"Cl","xyz":[1.3215918782513907,5.998913708463706,0.0]},{"species":[{"element":"Cl","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.445733935233171,0.166009595261243,0.0],"properties":{"magmom":-0.011},"label":"Cl","xyz":[3.0181062221982495,1.2055172572221258,0.0]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.198669885938798,0.8013301140612581,0.5],"properties":{"magmom":-0.001},"label":"O","xyz":[-1.3857969467338471,5.814536422433033,2.0622271694394114]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8015445802732161,0.198455419726755,0.5],"properties":{"magmom":-0.139},"label":"O","xyz":[5.803086658358367,1.4417504569109276,2.0622271694394114]}]} | false | -25.111444 | -25.111444 | -2.601723 | 0.020193 | false | null | 0.3911 | 2.8235 | 2.4324 | 2.447565 | false | false | true | FM | 2.999999 | 0.012269 | 2.999999 | 1 | 1 | [] | true | null | null | null | null | null | null | null | false | false | false | true | true |
mp-3249681 | Sm3Sn3HgIr2 | 174 | Hexagonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[7.605678778510412,2.405436351e-7,0.0],[-3.802839597572079,6.586710109934185,0.0],[0.0,0.0,4.123349758511205]],"pbc":[true,true,true],"a":7.605678778510415,"b":7.605678081352864,"c":4.123349758511205,"alpha":90.0,"beta":90.0,"gamma":120.00000303218019,"volume":206.5649879881809},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Sm","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6044648028300791,0.018833682631708003,0.0],"properties":{"magmom":-0.0},"label":"Sm","xyz":[4.525743649161248,0.12405215319772393,0.0]},{"species":[{"element":"Sm","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.9811663173681701,0.5856311201986131,0.0],"properties":{"magmom":-0.0},"label":"Sm","xyz":[5.235374624734523,3.8573826561175997,0.0]},{"species":[{"element":"Sm","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.41436887980174203,0.39553519716967805,0.0],"properties":{"magmom":-0.0},"label":"Sm","xyz":[1.6473996855529098,2.6052757817061263,0.0]},{"species":[{"element":"Sn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.25122560877591105,0.009311808102680001,0.5],"properties":{"magmom":0.0},"label":"Sn","xyz":[1.8753299687074416,0.0613342410024106,2.0616748792556026]},{"species":[{"element":"Sn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.9906881918971351,0.241913800672335,0.5],"properties":{"magmom":0.0},"label":"Sn","xyz":[6.614896776836977,1.5934163149248113,2.0616748792556026]},{"species":[{"element":"Sn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7580861993269461,0.748774391224984,0.5],"properties":{"magmom":0.0},"label":"Sn","xyz":[2.918291213904271,4.931960035094227,2.0616748792556026]},{"species":[{"element":"Hg","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.5],"properties":{"magmom":0.0},"label":"Hg","xyz":[-3.941717335621507e-6,4.3911423490405985,2.0616748792556026]},{"species":[{"element":"Ir","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.5],"properties":{"magmom":0.0},"label":"Ir","xyz":[3.8028431226556654,2.1955680014372154,2.0616748792556026]},{"species":[{"element":"Ir","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.0],"properties":{"magmom":-0.0},"label":"Ir","xyz":[0.0,0.0,0.0]}]} | false | -36.144656 | -36.144656 | -0.864229 | 0 | true | -0.054386 | 0 | null | null | 6.521924 | false | true | false | NM | 0.000015 | 0 | 0.000015 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249682 | LiHo2BRh5 | 107 | Tetragonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.037962870474954,7.5733195e-9,2.908668794492132],[1.7253183117544861,4.684786199557192,2.82899813015379],[0.045997681451776004,-0.06505096049643601,5.737666920427475]],"pbc":[true,true,true],"a":5.817338226400159,"b":5.7382205807070985,"c":5.738220029236256,"alpha":60.91431568049892,"beta":59.54285032566373,"gamma":59.542851820807094,"volume":135.39304023100857},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Li","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.727666475369467,0.272334524630515,0.27233452463045105],"properties":{"magmom":0.0},"label":"Li","xyz":[4.148347183981006,1.2581134057593044,4.449539423923775]},{"species":[{"element":"Ho","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.249254134319663,0.25074586568032203,0.250745865680272],"properties":{"magmom":-0.0},"label":"Ho","xyz":[1.6998832361247405,1.1583795136198634,2.8730535664948262]},{"species":[{"element":"Ho","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.749254134319663,0.7507458656803221,0.750745865680272],"properties":{"magmom":-0.0},"label":"Ho","xyz":[5.104522667965349,3.4682471369369012,8.610720489031525]},{"species":[{"element":"B","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.01149434695916,0.9885056530408031,0.988505653040682],"properties":{"magmom":-0.0},"label":"B","xyz":[1.8088639658065742,4.566634399450422,8.501630078519137]},{"species":[{"element":"Rh","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.252076118824661,0.7479248811754141,0.25448071890190904],"properties":{"magmom":-0.0},"label":"Rh","xyz":[2.572064143524484,3.487313948352693,4.30920963373281]},{"species":[{"element":"Rh","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7455182810984411,0.7479228811753621,0.25448271890184004],"properties":{"magmom":-0.0},"label":"Rh","xyz":[5.058004077145311,3.487304452415129,5.744475270362315]},{"species":[{"element":"Rh","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.252076118824689,0.25448071890163904,0.7479248811756061],"properties":{"magmom":-0.0},"label":"Rh","xyz":[1.7434131819158325,1.1435345299731887,5.744475268280917]},{"species":[{"element":"Rh","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7455182810984691,0.254482718901584,0.7479228811755401],"properties":{"magmom":-0.0},"label":"Rh","xyz":[4.229359832819176,1.1435440333842504,7.17972927023527]},{"species":[{"element":"Rh","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.26714110918578604,0.73285989081404,0.7328598908134151],"properties":{"magmom":0.0},"label":"Rh","xyz":[2.643973434633761,3.3856186649110245,7.055190221620563]}]} | false | -22.584184 | -22.584184 | -0.786752 | 0 | true | -0.032678 | 0 | null | null | 7.417765 | 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-3249683 | Dy3Cd3CuAu2 | 189 | Hexagonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[7.613548112985049,0.0,0.0],[-3.806774056492524,6.593525943035031,0.0],[0.0,0.0,3.8921828549808453]],"pbc":[true,true,true],"a":7.613548112985049,"b":7.613547995426346,"c":3.8921828549808453,"alpha":90.0,"beta":90.0,"gamma":120.0000005107751,"volume":195.38807363314726},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Dy","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[8.529999999999999e-14,0.41027704796110903,0.5],"properties":{"magmom":0.0},"label":"Dy","xyz":[-1.5618320221520394,2.7051723595634,1.9460914274904226]},{"species":[{"element":"Dy","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5897229520389751,0.58972295203889,0.5],"properties":{"magmom":0.0},"label":"Dy","xyz":[2.24494203434048,3.8883535834716247,1.9460914274904226]},{"species":[{"element":"Dy","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.410277047960931,0.0,0.5],"properties":{"magmom":0.0},"label":"Dy","xyz":[3.1236640443040224,0.0,1.9460914274904226]},{"species":[{"element":"Cd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.99999999999995,0.7580471802555021,0.0],"properties":{"magmom":-0.0},"label":"Cd","xyz":[4.727833773590711,4.998203749059206,0.0]},{"species":[{"element":"Cd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.24195281974444702,0.241952819744497,0.0],"properties":{"magmom":-0.0},"label":"Cd","xyz":[0.9210597170981829,1.5953221939758195,0.0]},{"species":[{"element":"Cd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.758047180255594,0.0,0.0],"properties":{"magmom":-0.0},"label":"Cd","xyz":[5.771428678788615,0.0,0.0]},{"species":[{"element":"Cu","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.5],"properties":{"magmom":0.0},"label":"Cu","xyz":[0.0,0.0,1.9460914274904226]},{"species":[{"element":"Au","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.0],"properties":{"magmom":0.0},"label":"Au","xyz":[-3.8067740177324465e-6,4.395686159865309,0.0]},{"species":[{"element":"Au","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.0],"properties":{"magmom":0.0},"label":"Au","xyz":[3.8067778632665394,2.1978397831697163,0.0]}]} | false | -30.448011 | -30.448011 | -0.639445 | 0 | true | -0.03569 | 0 | null | null | 4.645589 | 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-3249684 | YbYTcH6 | 216 | Cubic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.335730951793964,1.3130402000000001e-9,2.503235189434923],[1.445243651835934,4.087766479919909,2.503235189434922],[3.7138393000000003e-9,2.6260811e-9,5.006471365972252]],"pbc":[true,true,true],"a":5.006470742945522,"b":5.006470854919078,"c":5.006471365972252,"alpha":60.000003102943126,"beta":60.00000236308962,"gamma":60.00000231524657,"volume":88.73197315477749},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Yb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.75,0.75,0.75],"properties":{"magmom":0.01},"label":"Yb","xyz":[4.3357309555078025,3.065824862894273,7.509706308631572]},{"species":[{"element":"Y","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.25,0.25,0.25],"properties":{"magmom":0.009000000000000001},"label":"Y","xyz":[1.4452436518359344,1.0219416209647576,2.5032354362105242]},{"species":[{"element":"Tc","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.0],"properties":{"magmom":0.006},"label":"Tc","xyz":[0.0,0.0,0.0]},{"species":[{"element":"H","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.751488121574666,0.24851187842528302,0.24851187842538902],"properties":{"magmom":-0.0},"label":"H","xyz":[3.6174105242396823,1.0158585281281503,3.747402792875483]},{"species":[{"element":"H","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.751488121574716,0.751488121574688,0.248511878425368],"properties":{"magmom":-0.0},"label":"H","xyz":[4.344333746675863,3.071907955070334,5.006470624176869]},{"species":[{"element":"H","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.248511878425269,0.7514881215746521,0.248511878425404],"properties":{"magmom":-0.0},"label":"H","xyz":[2.163564081235707,3.0719079544097587,3.7474027928754876]},{"species":[{"element":"H","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7514881215747301,0.24851187842534703,0.7514881215745951],"properties":{"magmom":-0.0},"label":"H","xyz":[3.617410526108025,1.0158585294492681,6.265538951966601]},{"species":[{"element":"H","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.24851187842528302,0.24851187842531103,0.7514881215746311],"properties":{"magmom":-0.0},"label":"H","xyz":[1.4366408606678687,1.015858528788693,5.006471120665219]},{"species":[{"element":"H","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.248511878425333,0.751488121574716,0.7514881215746101],"properties":{"magmom":-0.0},"label":"H","xyz":[2.16356408310405,3.0719079557308766,6.265538951966605]}]} | false | -12.109482 | -12.109482 | -0.605225 | 0.006287 | false | null | 0 | null | null | 5.667617 | false | true | false | NM | 0.017988 | 0.000203 | 0.017988 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | true | true |
mp-3249685 | ErZnIO6 | 149 | Trigonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.159479104875995,7.725103000000001e-9,0.0],[-2.579740039020899,4.468239814086901,0.0],[0.0,0.0,4.766767654299233]],"pbc":[true,true,true],"a":5.159479104875995,"b":5.1594792087107875,"c":4.766767654299233,"alpha":90.0,"beta":90.0,"gamma":120.000005487884,"volume":109.89206036796382},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Er","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.0],"properties":{"magmom":0.0},"label":"Er","xyz":[2.5797419699833832,1.4894117870991137,0.0]},{"species":[{"element":"Zn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.500000999999997],"properties":{"magmom":-0.0},"label":"Zn","xyz":[0.0,0.0,2.3833885939172568]},{"species":[{"element":"I","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.6666659999999991,0.500000999999997],"properties":{"magmom":-0.0},"label":"I","xyz":[-3.2438825851247255e-7,2.9788235664730855,2.3833885939172568]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.327143181927994,0.364019993588783,0.27703009901171705],"properties":{"magmom":0.0},"label":"O","xyz":[0.7488114589950169,1.6265286310042733,1.3205381152363669]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.036877811670358,0.672855818084634,0.27703009901171705],"properties":{"magmom":0.0},"label":"O","xyz":[-1.5455227956543285,3.0064811557906594,1.3205381152363669]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.63597800640165,0.963122188326579,0.27703009901171705],"properties":{"magmom":0.0},"label":"O","xyz":[0.7967103634945023,4.303460912624318,1.3205381152363669]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.036876811675206005,0.36401999359701104,0.722968900988284],"properties":{"magmom":0.0},"label":"O","xyz":[-0.7488118131936682,1.6265286287987004,3.446224772295217]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.635979006408092,0.6728558180702251,0.722968900988284],"properties":{"magmom":0.0},"label":"O","xyz":[1.5455273003384258,3.0064811603543955,3.446224772295217]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.327143181916696,0.9631221883327611,0.722968900988284],"properties":{"magmom":0.0},"label":"O","xyz":[-0.7967164603096113,4.3034609102661605,3.446224772295217]}]} | false | -13.203922 | -13.203922 | -1.73393 | 0 | true | -0.082282 | 2.9369 | 5.6289 | 2.692 | 2.705643 | false | false | false | NM | 0 | 0 | 0 | 0 | 0 | [
"O2-",
"Er3+",
"Zn2+",
"I7+"
] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249686 | Pa(CrC)4 | 87 | Tetragonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.76308025017988,0.085959301574484,-0.410811613341636],[-4.99496486468451,2.875900356274268,-0.41082458807446603],[-0.022298922805421003,-0.085955708343596,5.777660891100038]],"pbc":[true,true,true],"a":5.778343114872716,"b":5.7783435083783115,"c":5.778343274529648,"alpha":94.31022054399135,"beta":94.31023201395796,"gamma":148.17760494242015,"volume":97.8344788654206},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Pa","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.0],"properties":{"magmom":-0.001},"label":"Pa","xyz":[0.0,0.0,0.0]},{"species":[{"element":"Cr","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8242865062692031,0.6359197945646,0.46020530079737604],"properties":{"magmom":0.002},"label":"Cr","xyz":[1.563770171685123,1.8601397835128486,2.059032211147336]},{"species":[{"element":"Cr","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.175713493730796,0.36408020543539904,0.539794699202623],"properties":{"magmom":0.002},"label":"Cr","xyz":[-0.8179537089951748,1.0157641659923047,2.8969924785365957]},{"species":[{"element":"Cr","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.635919794546772,0.17571349374717402,0.8116332882942311],"properties":{"magmom":0.002},"label":"Cr","xyz":[2.76907553309087,0.4902332064557513,4.355911247251052]},{"species":[{"element":"Cr","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.364080205453227,0.8242865062528251,0.18836671170576802],"properties":{"magmom":0.002},"label":"Cr","xyz":[-2.023259070400923,2.385670743049402,0.6001134424328796]},{"species":[{"element":"C","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.259957192182874,0.597391184002226,0.8573493761911871],"properties":{"magmom":-0.0},"label":"C","xyz":[-1.5049117819590245,1.6666891846579588,4.601257540221396]},{"species":[{"element":"C","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7400428078171261,0.40260881599777304,0.14265062380881202],"properties":{"magmom":-0.0},"label":"C","xyz":[2.250728244648979,1.2092147648471945,0.35476714946253574]},{"species":[{"element":"C","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.597391184005388,0.7400428078144611,0.337433991819374],"properties":{"magmom":-0.0},"label":"C","xyz":[-0.26119890375818355,2.150636325809634,1.4001361600873965]},{"species":[{"element":"C","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.402608815994611,0.25995719218553803,0.662566008180625],"properties":{"magmom":-0.0},"label":"C","xyz":[1.007015366448131,0.7252676236955194,3.555888529596535]}]} | false | -19.795316 | -19.795316 | -0.135502 | 0 | true | -0.004029 | 0 | null | null | 10.650422 | false | true | false | NM | 0.00461 | 0.000047 | 0.00461 | 0 | 0 | [
"Cr2.75+",
"C4-",
"Pa5+"
] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249687 | Dy2BIrPt5 | 107 | Tetragonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.119002168992993,-2.9512634000000003e-9,2.955457235954547],[1.7237946672081381,4.801548301203184,2.925214957710665],[0.017459949581712,-0.024692684804629002,5.880671202463168]],"pbc":[true,true,true],"a":5.910914538352848,"b":5.880749670943034,"c":5.880748963355082,"alpha":60.33964675498784,"beta":59.83018100961637,"gamma":59.830172505901665,"volume":144.5380014982901},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Dy","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.24884246144121303,0.25115753855885,0.251157538558935],"properties":{"magmom":-0.0},"label":"Dy","xyz":[1.7111543234122983,1.1997432979312774,2.9471079460983765]},{"species":[{"element":"Dy","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.748842461441213,0.75115753855885,0.7511575385589351],"properties":{"magmom":-0.0},"label":"Dy","xyz":[5.14128271630372,3.588171104654923,8.827779644162566]},{"species":[{"element":"B","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.005520561448292,0.9944794385515291,0.994479438551309],"properties":{"magmom":-0.0},"label":"B","xyz":[1.7599016797082903,4.750484691421466,8.773588507795946]},{"species":[{"element":"Ir","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.255739804657146,0.7442611953430781,0.7442611953433621],"properties":{"magmom":-0.0},"label":"Ir","xyz":[2.605080857226447,3.555228270287322,7.30970741582328]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.256630693325476,0.7433703066749181,0.258712060936972],"properties":{"magmom":0.0},"label":"Pt","xyz":[2.59962794571053,3.5629401370465854,4.454379546242192]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7452204462366221,0.254780553763232,0.25478055376304104],"properties":{"magmom":-0.0},"label":"Pt","xyz":[4.258422896171694,1.2170499169936915,4.446035712475248]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.741287939061805,0.743369306674566,0.258713060937793],"properties":{"magmom":0.0},"label":"Pt","xyz":[5.080587731517658,3.5629353093735374,5.88676626557147]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.256630693325959,0.25871206093764704,0.7433703066744141],"properties":{"magmom":0.0},"label":"Pt","xyz":[1.7726387548275795,1.2238626472627172,5.8867657851796364]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7412879390622891,0.258713060937317,0.743369306675226],"properties":{"magmom":0.0},"label":"Pt","xyz":[4.2536019533041864,1.2238674720717473,7.3191465935964395]}]} | false | -43.413217 | -43.413217 | -1.067895 | 0 | true | -0.061086 | 0 | null | null | 8.926016 | 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-3249688 | Li3Pr3HgBi2 | 189 | Hexagonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[7.705337212994864,-4.9392142000000025e-9,0.0],[-3.852669615141958,6.673018647175281,0.0],[0.0,0.0,4.676685094914233]],"pbc":[true,true,true],"a":7.705337212994864,"b":7.705338475952053,"c":4.676685094914233,"alpha":90.0,"beta":90.0,"gamma":120.0000032751441,"volume":240.4651342648363},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Li","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7649245126620771,0.764924512661679,0.5],"properties":{"magmom":-0.0},"label":"Li","xyz":[2.9469998847381422,5.104355532894723,2.3383425474571164]},{"species":[{"element":"Li","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.235075487337837,0.99999999999968,0.5],"properties":{"magmom":-0.0},"label":"Li","xyz":[-2.041333714693587,6.673018646012058,2.3383425474571164]},{"species":[{"element":"Li","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[7.82e-14,0.23507548733864,0.5],"properties":{"magmom":-0.0},"label":"Li","xyz":[-0.9056681873336638,1.5686631105045614,2.3383425474571164]},{"species":[{"element":"Pr","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[2.274e-13,0.595083414092556,0.0],"properties":{"magmom":0.0},"label":"Pr","xyz":[-2.2926597879475783,3.971002718864356,0.0]},{"species":[{"element":"Pr","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.40491658590947505,0.404916585908345,0.0],"properties":{"magmom":0.0},"label":"Pr","xyz":[1.5600090103710107,2.7020159263169683,0.0]},{"species":[{"element":"Pr","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5950834140902971,0.9999999999990971,0.0],"properties":{"magmom":0.0},"label":"Pr","xyz":[0.7326487602875187,6.6730186442300115,0.0]},{"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":[0.33333300000000304,0.666666999999996,0.5],"properties":{"magmom":-0.0},"label":"Bi","xyz":[-4.525098588103255e-6,4.448681320809974,2.3383425474571164]},{"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":[3.85267212295149,2.2243373214260873,2.3383425474571164]}]} | false | -29.831414 | -29.831414 | -0.748709 | 0 | true | -0.066673 | 0.0694 | 4.1321 | 4.0627 | 4.089308 | false | false | false | NM | 0 | 0 | 0 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249689 | Pr2TeC2 | 15 | Monoclinic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[7.555874736498455,-0.16509733368175702,-1.524847567562339],[6.389865968586636,4.035854457607993,-1.524847568123616],[0.07448148297590501,0.020673127633873002,7.305951460482465]],"pbc":[true,true,true],"a":7.709971482926847,"b":7.709972010682558,"c":7.306360353311238,"alpha":100.82647646434442,"beta":100.82647798716899,"gamma":32.84708770305492,"volume":231.01196777270295},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Pr","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8440461865094591,0.45539922561447105,0.14277738332498302],"properties":{"magmom":-0.0},"label":"Pr","xyz":[9.298081542204766,1.7015268748591321,-0.9383315438857964]},{"species":[{"element":"Pr","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.544600774385664,0.155953813490249,0.35722261667496],"properties":{"magmom":-0.0},"label":"Pr","xyz":[5.138065668393267,0.5468796663317212,1.5416121386590358]},{"species":[{"element":"Pr","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.45540022561434,0.8440471865097471,0.642778383325037],"properties":{"magmom":-0.0},"label":"Pr","xyz":[8.882170539889922,3.3445544766586224,2.714648442393777]},{"species":[{"element":"Pr","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.15595381349054002,0.5445997743855241,0.8572216166750191],"properties":{"magmom":-0.0},"label":"Pr","xyz":[4.722134181508742,2.189899320173372,5.194582087578438]},{"species":[{"element":"Te","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.205144108868438,0.7948558911316821,0.25000000000002803],"properties":{"magmom":-0.0},"label":"Te","xyz":[6.647686168957438,3.1792222278935425,0.30164029711216467]},{"species":[{"element":"Te","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.794854891131564,0.20514410886831702,0.7499989999999741],"properties":{"magmom":-0.0},"label":"Te","xyz":[7.37252838874735,0.7122081680907687,3.954610246580466]},{"species":[{"element":"C","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.361564424145633,0.100321050103659,0.031425092227571005],"properties":{"magmom":0.0},"label":"C","xyz":[3.37531414948061,0.3458374898146699,-0.47471474350189957]},{"species":[{"element":"C","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8996789498959991,0.638435575855254,0.46857390777238805],"properties":{"magmom":0.0},"label":"C","xyz":[10.912279287305841,2.4377853571148016,1.077988032251216]},{"species":[{"element":"C","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.10032105010400001,0.361565424144743,0.531425092227614],"properties":{"magmom":0.0},"label":"C","xyz":[3.1079492161396156,1.4536489096266256,3.1782594617462863]},{"species":[{"element":"C","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.638435575854366,0.8996789498963401,0.968574907772428],"properties":{"magmom":0.0},"label":"C","xyz":[10.644908038580374,3.5455927617454357,4.730971068298405]}]} | false | -21.723137 | -21.723137 | -0.899215 | 0 | true | -0.068178 | 0 | null | null | 5.062585 | false | true | false | NM | 0.000001 | 0 | 0.000001 | 0 | 0 | [
"C2-",
"Pr3+",
"Te2-"
] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249690 | Th2B(IrRh)3 | 160 | Trigonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.132407653317617,3.7605385e-9,2.965717794726637],[1.709346358836804,4.839395286907911,2.965717797291905],[-0.004972756948925,-0.003518008042947,5.932484596093273]],"pbc":[true,true,true],"a":5.927654709730609,"b":5.927654997601421,"c":5.9324877233396975,"alpha":60.02693800005589,"beta":60.02693081958363,"gamma":60.00000307677464,"volume":147.4566503627865},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Th","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.749880835358233,0.749880835358212,0.7503574939253561],"properties":{"magmom":-0.0},"label":"Th","xyz":[5.126768868507768,3.62633001949634,8.899354150891686]},{"species":[{"element":"Th","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.250041597006109,0.25004159700606005,0.24987520898183302],"properties":{"magmom":-0.0},"label":"Th","xyz":[1.709480530840133,1.2091710640274143,2.9654864561973584]},{"species":[{"element":"B","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5005684676482071,0.5005684676481721,0.49829459705545504],"properties":{"magmom":-0.0},"label":"B","xyz":[3.422288423969932,2.420695680593488,5.925214646598645]},{"species":[{"element":"Ir","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7562690749445901,0.7562690749443841,0.24457252971870902],"properties":{"magmom":0.0},"label":"Ir","xyz":[5.1729907780234345,3.659024591637403,5.936684073452474]},{"species":[{"element":"Ir","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7562690749442991,0.24288932039244301,0.2445725297191],"properties":{"magmom":0.0},"label":"Ir","xyz":[4.295446963878047,1.1745770270647977,4.414144598609889]},{"species":[{"element":"Ir","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.24288932039228603,0.756269074944064,0.24457252971950502],"properties":{"magmom":0.0},"label":"Ir","xyz":[2.538116596700319,3.659024589705267,4.414144599928086]},{"species":[{"element":"Rh","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.244772791227291,0.24477279122741802,0.7559183702933291],"properties":{"magmom":0.0},"label":"Rh","xyz":[1.6709162281170755,1.181892966243235,5.9363281335127605]},{"species":[{"element":"Rh","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7545360472516901,0.24477279122740403,0.7559183702933651],"properties":{"magmom":0.0},"label":"Rh","xyz":[4.287229064716785,1.1818929681601518,7.448142093002283]},{"species":[{"element":"Rh","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.24477279122728302,0.7545360472518321,0.7559183702933431],"properties":{"magmom":0.0},"label":"Rh","xyz":[2.5422781936711605,3.6488388648866157,7.448142094309894]}]} | false | -43.517454 | -43.517454 | -0.874829 | 0 | true | -0.000882 | 0 | null | null | 9.417647 | false | true | false | NM | 0.00025 | 0.000002 | 0.00025 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249691 | Dy3Cd3Hg2Ru | 174 | Hexagonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[7.968796433388869,-0.0000101371211881,0.0],[-3.984390387284081,6.901183823553603,0.0],[0.0,0.0,3.7892250075987493]],"pbc":[true,true,true],"a":7.968796433395317,"b":7.968795701030346,"c":3.7892250075987493,"alpha":90.0,"beta":90.0,"gamma":120.00001092398024,"volume":208.38497597907022},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Dy","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.616358982201475,0.041155790324729005,0.0],"properties":{"magmom":0.0},"label":"Dy","xyz":[4.747658523703378,0.2840174263288857,0.0]},{"species":[{"element":"Dy","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.958844209675035,0.575203191876973,0.0],"properties":{"magmom":0.0},"label":"Dy","xyz":[5.349000249784257,3.9695732431178112,0.0]},{"species":[{"element":"Dy","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.42479680812347403,0.383641017798304,0.0],"properties":{"magmom":0.0},"label":"Dy","xyz":[1.856543706005872,2.6475728798645712,0.0]},{"species":[{"element":"Cd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.275715454355008,0.9994033720677321,0.5],"properties":{"magmom":-0.0},"label":"Cd","xyz":[-1.7848928593915885,6.897063589557781,1.8946125037993746]},{"species":[{"element":"Cd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.000596627931571,0.27631208228632403,0.5],"properties":{"magmom":-0.0},"label":"Cd","xyz":[-1.0961807980189144,1.9068804664787018,1.8946125037993746]},{"species":[{"element":"Cd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.723687917713405,0.72428454564595,0.5],"properties":{"magmom":-0.0},"label":"Cd","xyz":[2.8810893162310576,4.998413453949577,1.8946125037993746]},{"species":[{"element":"Hg","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.5],"properties":{"magmom":-0.0},"label":"Hg","xyz":[1.2352113355240603e-6,4.600788137059965,1.8946125037993746]},{"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":"Ru","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.5],"properties":{"magmom":-0.0},"label":"Ru","xyz":[3.984404810893449,2.300385549372443,1.8946125037993746]}]} | false | -31.601925 | -31.601925 | -0.44409 | 0 | true | -0.023426 | 0 | null | null | 3.794749 | false | true | false | NM | 0.000068 | 0 | 0.000068 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249692 | Ho3ZnCd3In2 | 189 | Hexagonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[7.367390501095151,3.6645631e-9,0.0],[-3.683695744224126,6.38034797121245,0.0],[0.0,0.0,4.481007461515249]],"pbc":[true,true,true],"a":7.367390501095151,"b":7.367391300166549,"c":4.481007461515249,"alpha":90.0,"beta":90.0,"gamma":120.00000081688951,"volume":210.63654468018484},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Ho","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.584929981597859,0.9999999999999851,0.0],"properties":{"magmom":0.0},"label":"Ho","xyz":[0.6257118460057567,6.3803479733558675,0.0]},{"species":[{"element":"Ho","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[7.1e-15,0.584929981597902,0.0],"properties":{"magmom":0.0},"label":"Ho","xyz":[-2.1547040838812355,3.7320568213895093,0.0]},{"species":[{"element":"Ho","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.41507001840212604,0.41507001840211105,0.0],"properties":{"magmom":0.0},"label":"Ho","xyz":[1.5289912505223264,2.6482911513440737,0.0]},{"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":"Cd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.23658219471987202,6.39e-14,0.5],"properties":{"magmom":-0.0},"label":"Cd","xyz":[1.742993414107193,8.673780851228183e-10,2.2405037307576245]},{"species":[{"element":"Cd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.999999999999964,0.23658219471966602,0.5],"properties":{"magmom":-0.0},"label":"Cd","xyz":[6.4958936772468485,1.509476729769173,2.2405037307576245]},{"species":[{"element":"Cd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.763417805280163,0.763417805280276,0.5],"properties":{"magmom":-0.0},"label":"Cd","xyz":[2.812198166612105,4.870871247905063,2.2405037307576245]},{"species":[{"element":"In","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.5],"properties":{"magmom":0.0},"label":"In","xyz":[-4.012813078460874e-6,4.253567442145784,2.2405037307576245]},{"species":[{"element":"In","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.5],"properties":{"magmom":0.0},"label":"In","xyz":[3.6836987696840993,2.1267805327312224,2.2405037307576245]}]} | false | -24.146093 | -24.146093 | -0.476451 | 0 | true | -0.014135 | 0 | null | null | 4.209112 | 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-3249693 | Sm2H(Pd2Pt)2 | 44 | Orthorhombic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.115338119352769,0.008571697459019001,2.9501347541490373],[1.7131928681050081,4.819929823082877,2.9501347541490373],[3e-16,1e-16,5.900269508298078]],"pbc":[true,true,true],"a":5.90508701180083,"b":5.905086652235307,"c":5.900269508298078,"alpha":60.0269815152036,"beta":60.026983527265344,"gamma":59.86112247929063,"volume":145.38786705862498},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Sm","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.251112241297178,0.251112241297136,0.260130399268483],"properties":{"magmom":-0.0},"label":"Sm","xyz":[1.7147277210276826,1.212495838929905,3.016469363471239]},{"species":[{"element":"Sm","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7488877587028211,0.7488877587028641,0.7623538818627931],"properties":{"magmom":-0.0},"label":"Sm","xyz":[5.11380326643009,3.616005681611991,8.916732971499782]},{"species":[{"element":"H","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.5,0.413240433344356],"properties":{"magmom":0.0},"label":"H","xyz":[3.4142654937288883,2.414250760270948,5.388364682606626]},{"species":[{"element":"Pd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.751842858636656,0.751842858636905,0.26043606036260003],"properties":{"magmom":-0.0},"label":"Pd","xyz":[5.133982257899669,3.6302743861368594,5.972718439664982]},{"species":[{"element":"Pd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.24815714136334302,0.24815714136309402,0.7641217776361621],"properties":{"magmom":-0.0},"label":"Pd","xyz":[1.6945487295581014,1.1982271344050317,5.972718439664984]},{"species":[{"element":"Pd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.75241662152522,0.247583378474679,0.762796095230953],"properties":{"magmom":-0.0},"label":"Pd","xyz":[4.273023503986747,1.199783997252572,7.4508372958887685]},{"species":[{"element":"Pd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.24758337847477901,0.7524166215253201,0.762796095230847],"properties":{"magmom":-0.0},"label":"Pd","xyz":[2.555507483471025,3.6287175232893194,7.450837295888733]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.759663431685439,0.240336568314397,0.257062128531977],"properties":{"magmom":-0.0},"label":"Pt","xyz":[4.297678204759921,1.164916998303045,4.466870592863979]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.24033656831456002,0.759663431685602,0.25706212853182103],"properties":{"magmom":-0.0},"label":"Pt","xyz":[2.530852782697849,3.663584522238846,4.46687059286402]}]} | false | -29.482119 | -29.482119 | -0.84454 | 0 | true | -0.027944 | 0 | null | null | 7.699018 | false | true | false | NM | 0 | 0 | 0 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249694 | LuTh3(Ni2Hg)2 | 38 | Orthorhombic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[7.507227989189124,-0.019037285978628003,0.0],[-0.154354466209496,7.505665323378105,0.0],[0.0,0.0,3.638915918071723]],"pbc":[true,true,true],"a":7.507252127104964,"b":7.50725231011982,"c":3.638915918071723,"alpha":90.0,"beta":90.0,"gamma":91.32341895806047,"volume":205.03035908520042},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Lu","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.826370733725944,0.673629266274076,0.5],"properties":{"magmom":0.0},"label":"Lu","xyz":[6.09977581585533,5.040303968703659,1.8194579590358615]},{"species":[{"element":"Th","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6762957523813711,0.172682821266313,0.5],"properties":{"magmom":0.0},"label":"Th","xyz":[5.050452036547035,1.2832246278774493,1.8194579590358615]},{"species":[{"element":"Th","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.327317178733714,0.8237042476185931,0.5],"properties":{"magmom":0.0},"label":"Th","xyz":[2.330102256076495,6.1762171773328545,1.8194579590358615]},{"species":[{"element":"Th","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.17106514493858002,0.328934855061348,0.5],"properties":{"magmom":0.0},"label":"Th","xyz":[1.2334524800869098,2.4656183191991916,1.8194579590358615]},{"species":[{"element":"Ni","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.12059206843819201,0.6215971306279251,0.0],"properties":{"magmom":-0.0},"label":"Ni","xyz":[0.8093658581579777,4.663204282771735,0.0]},{"species":[{"element":"Ni","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8784028693721521,0.37940793156177205,0.0],"properties":{"magmom":-0.0},"label":"Ni","xyz":[6.5358072979827915,2.8309865487091206,0.0]},{"species":[{"element":"Ni","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6182039124794151,0.8817960875205061,0.0],"properties":{"magmom":-0.0},"label":"Ni","xyz":[4.5048885503968386,6.60669739171817,0.0]},{"species":[{"element":"Ni","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.37528552271692905,0.12471447728314101,0.0],"properties":{"magmom":-0.0},"label":"Ni","xyz":[2.7981037435083653,0.9289207096476969,0.0]},{"species":[{"element":"Hg","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5135286653808181,0.5070608481670931,0.0],"properties":{"magmom":-0.0},"label":"Hg","xyz":[3.7769096634432473,3.7960528328693632,0.0]},{"species":[{"element":"Hg","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.992939151832899,0.9864713346192461,0.0],"properties":{"magmom":-0.0},"label":"Hg","xyz":[7.301954335915526,7.385220822165375,0.0]}]} | false | -40.994425 | -40.994425 | -0.47761 | 0 | true | -0.053003 | 0 | null | null | 6.622189 | 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-3249695 | RbCeH6Os | 216 | Cubic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.7006902685738075,4.4881686e-9,2.713943917837829],[1.566896098001406,4.431853191407702,2.713943917837829],[0.0,0.0,5.427887835675658]],"pbc":[true,true,true],"a":5.42788914682618,"b":5.427888878863643,"c":5.427887835675658,"alpha":60.00000635760614,"beta":60.00000799067689,"gamma":60.00001059710877,"volume":113.07793431550016},"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":0.001},"label":"Rb","xyz":[1.5668965916438033,1.1079632989739678,2.713943917837829]},{"species":[{"element":"Ce","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.75,0.75,0.75],"properties":{"magmom":0.987},"label":"Ce","xyz":[4.70068977493141,3.3238898969219033,8.141831753513486]},{"species":[{"element":"H","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7750195538961151,0.7750195538962641,0.22498044610380602],"properties":{"magmom":-0.001},"label":"H","xyz":[4.857501989828728,3.4347728868169503,5.427887835675634]},{"species":[{"element":"H","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.22498044610404802,0.7750195538960291,0.224980446103401],"properties":{"magmom":-0.001},"label":"H","xyz":[2.271938508495171,3.4347728843472405,3.935112544507571]},{"species":[{"element":"H","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.775019553895951,0.22498044610397003,0.224980446103472],"properties":{"magmom":-0.001},"label":"H","xyz":[3.9956478580800368,0.9970803115486265,3.935112544507533]},{"species":[{"element":"H","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.224980446103884,0.22498044610373502,0.775019553896193],"properties":{"magmom":-0.001},"label":"H","xyz":[1.4100843767464797,0.9970803090789168,5.427887835675672]},{"species":[{"element":"H","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.775019553895951,0.22498044610397003,0.775019553896598],"properties":{"magmom":-0.001},"label":"H","xyz":[3.9956478580800368,0.9970803115486265,6.920663126843734]},{"species":[{"element":"H","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.22498044610404802,0.7750195538960291,0.7750195538965271],"properties":{"magmom":-0.001},"label":"H","xyz":[2.271938508495171,3.4347728843472405,6.920663126843772]},{"species":[{"element":"Os","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.0],"properties":{"magmom":-0.038},"label":"Os","xyz":[0.0,0.0,0.0]}]} | false | -13.592917 | -13.592917 | -0.427651 | 0 | true | -0.094288 | 0.8928 | 3.4392 | 2.5464 | 2.641543 | false | false | true | FM | 0.999806 | 0.008842 | 0.999806 | 1 | 1 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249696 | Pr3Cd3Ga2Cu | 189 | Hexagonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[7.455726966546076,0.0,0.0],[-3.727863483273038,6.456848516315266,0.0],[0.0,0.0,4.4243012285612]],"pbc":[true,true,true],"a":7.455726966546076,"b":7.455726585153404,"c":4.4243012285612,"alpha":90.0,"beta":90.0,"gamma":120.00000169217151,"volume":212.98807153265534},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Pr","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.40793471078492105,0.0,0.5],"properties":{"magmom":-0.0},"label":"Pr","xyz":[3.0414498237893106,0.0,2.2121506142806]},{"species":[{"element":"Pr","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.9999999999999851,0.407934710784893,0.5],"properties":{"magmom":-0.0},"label":"Pr","xyz":[5.935002054651415,2.6339726320849337,2.2121506142806]},{"species":[{"element":"Pr","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.592065289215092,0.592065289215106,0.5],"properties":{"magmom":-0.0},"label":"Pr","xyz":[2.2071385713783793,3.822875884230326,2.2121506142806]},{"species":[{"element":"Cd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7600369318497181,0.0,0.0],"properties":{"magmom":-0.0},"label":"Cd","xyz":[5.666627848362886,0.0,0.0]},{"species":[{"element":"Cd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[2.8399999999999982e-14,0.760036931849775,0.0],"properties":{"magmom":-0.0},"label":"Cd","xyz":[-2.8333139241814433,4.907443335759027,0.0]},{"species":[{"element":"Cd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.239963068150252,0.23996306815022403,0.0],"properties":{"magmom":-0.0},"label":"Cd","xyz":[0.8945495590915883,1.549405180556233,0.0]},{"species":[{"element":"Ga","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.0],"properties":{"magmom":0.0},"label":"Ga","xyz":[-3.7278634457375135e-6,4.304567829826324,0.0]},{"species":[{"element":"Ga","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.0],"properties":{"magmom":0.0},"label":"Ga","xyz":[3.7278672111364806,2.152280686488936,0.0]},{"species":[{"element":"Cu","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.5],"properties":{"magmom":-0.0},"label":"Cu","xyz":[0.0,0.0,2.2121506142806]}]} | false | -20.752296 | -20.752296 | -0.501276 | 0 | true | -0.005306 | 0 | null | null | 3.741481 | 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-3249697 | SmMgBPd6 | 216 | Cubic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.047996788612534,1.7306869000000002e-9,2.9144621130881982],[1.682665597835884,4.759297948229843,2.914462113088199],[4.8951218e-9,3.4613745e-9,5.828925209176686]],"pbc":[true,true,true],"a":5.828924513704821,"b":5.828925276823483,"c":5.828925209176686,"alpha":60.00000591441016,"beta":60.00000158363586,"gamma":60.00000538653164,"volume":140.0394661401194},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Sm","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.75,0.75,0.75],"properties":{"magmom":0.0},"label":"Sm","xyz":[5.047996793507655,3.5694734650664284,8.743387076514813]},{"species":[{"element":"Mg","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.25,0.25,0.25],"properties":{"magmom":0.0},"label":"Mg","xyz":[1.6826655978358849,1.189824488355476,2.9144623588382705]},{"species":[{"element":"B","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.5,0.5],"properties":{"magmom":0.0},"label":"B","xyz":[3.3653311956717697,2.379648976710952,5.828924717676541]},{"species":[{"element":"Pd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7557501348106751,0.24424986518919603,0.24424986518940203],"properties":{"magmom":-0.0},"label":"Pd","xyz":[4.226015100143323,1.1624578844037634,4.338176309628335]},{"species":[{"element":"Pd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.24424986518955902,0.75575013481103,0.244249865189047],"properties":{"magmom":-0.0},"label":"Pd","xyz":[2.5046472886979227,3.596840067248723,4.338176309628358]},{"species":[{"element":"Pd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.755750134810206,0.755750134810909,0.24424986518921002],"properties":{"magmom":-0.0},"label":"Pd","xyz":[5.086699007117191,3.596840068133394,5.82892446627273]},{"species":[{"element":"Pd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.24424986518979303,0.24424986518909003,0.755750134810789],"properties":{"magmom":-0.0},"label":"Pd","xyz":[1.6439633842263426,1.1624578852885061,5.828924969080342]},{"species":[{"element":"Pd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7557501348104411,0.24424986518896902,0.7557501348109521],"properties":{"magmom":-0.0},"label":"Pd","xyz":[4.226015102645615,1.1624578861731771,7.319673125724717]},{"species":[{"element":"Pd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.244249865189324,0.7557501348108031,0.755750134810597],"properties":{"magmom":-0.0},"label":"Pd","xyz":[2.504647291200211,3.596840069018137,7.319673125724737]}]} | false | -20.612769 | -20.612769 | -0.722624 | 0 | true | -0.071503 | 0 | null | null | 8.267542 | 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-3249698 | Nd4CoRu3Br2 | 156 | Trigonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.1774951938583325,4.2797699e-9,0.0],[-2.088748089507226,3.617818324163121,0.0],[0.0,0.0,16.92248274508779]],"pbc":[true,true,true],"a":4.1774951938583325,"b":4.177496619755728,"c":16.92248274508779,"alpha":90.0,"beta":90.0,"gamma":119.99999645126783,"volume":255.75656666885084},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Nd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.11104789552879801],"properties":{"magmom":0.001},"label":"Nd","xyz":[0.0,0.0,1.8792060959643961]},{"species":[{"element":"Nd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.8894855699846921],"properties":{"magmom":0.003},"label":"Nd","xyz":[0.0,0.0,15.052304210070531]},{"species":[{"element":"Nd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.613178239970196],"properties":{"magmom":0.025},"label":"Nd","xyz":[0.0,0.0,10.376498185558944]},{"species":[{"element":"Nd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.386861704692719],"properties":{"magmom":0.025},"label":"Nd","xyz":[0.0,0.0,6.5466605223977865]},{"species":[{"element":"Co","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.99670123397356],"properties":{"magmom":0.038},"label":"Co","xyz":[-2.4171331132974376e-6,2.4118800901414295,16.866659433925278]},{"species":[{"element":"Ru","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.5036623721014231],"properties":{"magmom":0.095},"label":"Ru","xyz":[-2.4171331132974376e-6,2.4118800901414295,8.523217801236319]},{"species":[{"element":"Ru","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.49632296336208204],"properties":{"magmom":0.095},"label":"Ru","xyz":[2.088749521484218,1.205938238301458,8.399016783485672]},{"species":[{"element":"Ru","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.002836881869342],"properties":{"magmom":0.024},"label":"Ru","xyz":[2.088749521484218,1.205938238301458,0.048007084483792394]},{"species":[{"element":"Br","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.24803704064124302],"properties":{"magmom":0.001},"label":"Br","xyz":[-2.4171331132974376e-6,2.4118800901414295,4.197402540394074]},{"species":[{"element":"Br","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.7518660978759321],"properties":{"magmom":0.0},"label":"Br","xyz":[2.088749521484218,1.205938238301458,12.723441067921948]}]} | false | -24.121434 | -24.121434 | -0.75167 | 0 | true | -0.035716 | 0 | null | null | 5.479629 | false | true | true | FM | 0.341867 | 0.001337 | 0.341867 | 2 | 3 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249699 | TmSn6(RuRh)2 | 5 | Monoclinic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.968492747071145,-0.000601017319657,-3.451757032204557],[-1.9850206202065122,5.610920003610751,-3.451284475620449],[-0.00206580516622,0.0006010219952210001,6.894746457476309]],"pbc":[true,true,true],"a":6.894746742443575,"b":6.879977811099614,"c":6.8947467931506035,"alpha":120.09824522638496,"beta":120.05924027756036,"gamma":89.9250617823318,"volume":230.86459842602966},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Tm","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.984633190493937,0.9999999999995801,0.984633190493688],"properties":{"magmom":-0.0},"label":"Tm","xyz":[3.8897213754511517,5.61092000821211,-0.06120281297850508]},{"species":[{"element":"Sn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8753466910120481,0.540037203698027,0.004854959214966001],"properties":{"magmom":-0.0},"label":"Sn","xyz":[4.15250536205906,3.029582368338545,-4.851832400849727]},{"species":[{"element":"Sn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.542286786400723,0.8770815065107981,0.008261825219833001],"properties":{"magmom":-0.0},"label":"Sn","xyz":[1.4955928081182863,4.92091321146632,-4.841936825538087]},{"species":[{"element":"Sn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.131180318710676,0.12291849349026701,0.6652052798919921],"properties":{"magmom":-0.0},"label":"Sn","xyz":[0.5375788520964534,0.690006795299246,3.709392471083826]},{"species":[{"element":"Sn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.000820454682724,0.5,0.500820454682809],"properties":{"magmom":-0.0},"label":"Sn","xyz":[-0.9886480297627497,2.805760512806822,1.7245558077250494]},{"species":[{"element":"Sn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.46481775551687504,0.459962796301198,0.33530848731370305],"properties":{"magmom":-0.0},"label":"Sn","xyz":[1.8605330853212616,2.5807366189376393,-0.8800334094683135]},{"species":[{"element":"Sn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.500542281113951,0.999999999999964,0.500542281113837],"properties":{"magmom":-0.0},"label":"Sn","xyz":[1.0014283313943857,5.610920005950867,-1.7279226948443764]},{"species":[{"element":"Ru","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6071700621643921,0.242083354791908,0.9997246666212901],"properties":{"magmom":0.0},"label":"Ru","xyz":[3.1412844248150997,1.3585462747335817,3.9615460476193762]},{"species":[{"element":"Ru","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7576413118306461,0.757916645209,0.365087707374044],"properties":{"magmom":0.0},"label":"Ru","xyz":[3.0167423053330538,4.252373735864549,-2.7137925003389345]},{"species":[{"element":"Rh","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.24128162027857702,0.6047365975027,0.999015125298335],"properties":{"magmom":-0.0},"label":"Rh","xyz":[0.23760921419090236,3.3935840874745633,3.967992435777058]},{"species":[{"element":"Rh","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.394279527795447,0.395263402496539,0.6365450227754931],"properties":{"magmom":-0.0},"label":"Rh","xyz":[1.5673335196005638,2.2179369404977236,1.663692963266059]}]} | false | -26.181188 | -26.181188 | -0.479399 | 0 | true | -0.011153 | 0 | null | null | 9.042067 | false | true | false | NM | 0.000006 | 0 | 0.000006 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249700 | CeTh2(BN2)2 | 44 | Orthorhombic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.488946321753079,-0.011687452107073,-3.378417698227653],[-0.551328591499128,3.379173632756943,-5.460733209162607],[0.0013270671036180002,0.011687448754856,6.445327763427484]],"pbc":[true,true,true],"a":6.445337420439774,"b":6.445338225242761,"c":6.445338496586089,"alpha":147.8118288021152,"beta":121.60038771215932,"gamma":68.26619517644238,"volume":119.89438973498221},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Ce","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.30562778877465,0.805627788774934,0.49999999999980105],"properties":{"magmom":0.59},"label":"Ce","xyz":[1.2340724265141094,2.724627895878068,-2.2091928693415213]},{"species":[{"element":"Th","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6979403435593661,0.197940343559061,0.500000000000234],"properties":{"magmom":-0.069},"label":"Th","xyz":[3.722490444319801,0.6665613698521161,-0.21616953477882075]},{"species":[{"element":"Th","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.001180133258458,0.0011801332584080002,4.259999999999999e-14],"properties":{"magmom":-0.036000000000000004},"label":"Th","xyz":[0.005827046901052213,0.003974082439014156,-0.010431375961792848]},{"species":[{"element":"B","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.35936916841902905,0.49793536163412705,0.8614338067851861],"properties":{"magmom":0.002},"label":"B","xyz":[1.699175254024669,1.6884778983791817,1.6190319071515151]},{"species":[{"element":"B","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6365015548487061,0.49793536163379304,0.1385661932147],"properties":{"magmom":0.002},"label":"B","xyz":[3.2193807533264414,1.6767904486941871,-3.9763557509411704]},{"species":[{"element":"N","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.35994965718875704,0.6204784336871251,0.739471223501119],"properties":{"magmom":-0.006},"label":"N","xyz":[1.6346381738769824,2.101140000460869,0.16180692636549734]},{"species":[{"element":"N","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.881006210185255,0.620478433687459,0.26052877649842504],"properties":{"magmom":-0.006},"label":"N","xyz":[4.49405403510632,2.0894525616479056,-4.68548080480755]},{"species":[{"element":"N","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.115342586795783,0.379212571882291,0.7361290149128621],"properties":{"magmom":-0.007},"label":"N","xyz":[0.4250154269992826,1.28868053329426,2.284138656082573]},{"species":[{"element":"N","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6430835569699981,0.379212571882767,0.263870985087628],"properties":{"magmom":-0.007},"label":"N","xyz":[3.3211305659793786,1.2769930944593653,-2.542648568770572]}]} | false | -27.039745 | -27.039745 | -1.595426 | 0 | true | -0.01264 | 0 | null | null | 9.197237 | false | true | true | FM | 0.471433 | 0.003932 | 0.471433 | 1 | 1 | [
"N3-",
"Th3+",
"Th4+",
"B+",
"Ce3+"
] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249701 | Ba2GdTcO6 | 225 | Cubic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.168759642530153,-1.09006193e-8,2.9841850731765343],[-1.722918568124039,4.873153267711312,2.9841850731765343],[0.0,0.0,5.9683701463530685]],"pbc":[true,true,true],"a":5.968369693075159,"b":5.968369267560584,"c":5.9683701463530685,"alpha":59.99999512928561,"beta":59.99999748770376,"gamma":89.9999862708564,"volume":150.3322497906282},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Ba","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.250002000000002,0.750000999999997,0.499999000000002],"properties":{"magmom":-0.011},"label":"Ba","xyz":[9.599140241432634e-6,3.6548698212115607,5.968373130538151]},{"species":[{"element":"Ba","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.75,0.24999900000000203,0.5000020000000021],"properties":{"magmom":-0.011},"label":"Ba","xyz":[3.4458418127851695,1.2182834355991057,5.968379098908306]},{"species":[{"element":"Gd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.500000999999997,0.500000999999997,0.0],"properties":{"magmom":6.807},"label":"Gd","xyz":[1.722923983044121,2.4365815015585888,2.984191041546663]},{"species":[{"element":"Tc","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.0],"properties":{"magmom":-1.607},"label":"Tc","xyz":[0.0,0.0,0.0]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.23236711903985702,0.23236711903867702,0.99999999999973],"properties":{"magmom":-0.027},"label":"O","xyz":[0.8007001631309874,1.1323605829190468,7.3552231226194875]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.767629880963646,0.23236911903399,1.1795e-12],"properties":{"magmom":-0.027},"label":"O","xyz":[3.5673412792828327,1.132370323368046,2.9841820889914463]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.23236711903635401,0.767633880966009,0.9999999999988191],"properties":{"magmom":-0.027},"label":"O","xyz":[-0.12152087991134859,3.7407975529024777,8.952558203714679]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7676338809601401,0.767633880961319,2.7e-13],"properties":{"magmom":-0.027},"label":"O","xyz":[2.6451443571161932,3.7407975470448833,4.581523138456775]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7676308809601401,0.76763088096132,0.464736238078273],"properties":{"magmom":-0.027},"label":"O","xyz":[2.6451340195929682,3.740782927585118,7.355223122619524]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.23236711903985702,0.23236711903867702,0.53526476192173],"properties":{"magmom":-0.027},"label":"O","xyz":[0.8007001631309874,1.1323605829190468,4.5815112017164665]}]} | false | -18.658242 | -18.658242 | -2.838638 | 0 | true | -0.047098 | 0 | null | null | 4.078928 | false | true | true | FiM | 5.000077 | 0.03326 | 5.000077 | 2 | 2 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249702 | SrAcB4Ir5 | 42 | Orthorhombic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[6.217279573498288,-0.033010074954157004,4.453606681586543],[4.286885680657452,4.492618031016395,1.358861261383596],[0.007548355237164001,-0.017696879513839,5.812467939517909]],"pbc":[true,true,true],"a":7.647893006205032,"b":6.356690140263921,"c":5.812499781086867,"alpha":77.73159950864918,"beta":54.31018354165521,"gamma":47.95824080767656,"volume":162.8358502518235},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Sr","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.146394538478702,0.146394538480372,0.853605461520857],"properties":{"magmom":-0.0},"label":"Sr","xyz":[1.5441957417492491,0.6377560955262921,5.812467940023002]},{"species":[{"element":"Ac","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8604990608382721,0.86049906083722,0.139500939162019],"properties":{"magmom":0.0},"label":"Ac","xyz":[9.039877338731229,3.8350197265812977,5.812467942488813]},{"species":[{"element":"B","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7897591712281901,0.464212376206099,0.5357876238013121],"properties":{"magmom":0.0},"label":"B","xyz":[6.904223266917987,2.0499771131030933,7.262325322643023]},{"species":[{"element":"B","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.206412885223755,0.535043785644823,0.46495621434876705],"properties":{"magmom":0.0},"label":"B","xyz":[3.580507812889677,2.3887053798539224,4.348875167436675]},{"species":[{"element":"B","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.53504378564704,0.20641288522282503,0.7935871147813031],"properties":{"magmom":0.0},"label":"B","xyz":[4.217375518849463,0.8956283989641968,7.2760607141595735]},{"species":[{"element":"B","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.46421237620356204,0.7897591712292421,0.21024082876594702],"properties":{"magmom":0.0},"label":"B","xyz":[6.273332379106925,3.52904200087637,4.362610560720923]},{"species":[{"element":"Ir","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.49989422856569304,0.499894228565658,0.500105771434313],"properties":{"magmom":-0.0},"label":"Ir","xyz":[5.254746562471533,2.2204819673197536,5.812467941243646]},{"species":[{"element":"Ir","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5005390624853231,0.5005390624846341,0.9994609375148611],"properties":{"magmom":-0.0},"label":"Ir","xyz":[5.265289314705098,2.214520645586396,8.718701911004974]},{"species":[{"element":"Ir","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0005390624853230001,0.000539062484634,0.49946093751486104],"properties":{"magmom":-0.0},"label":"Ir","xyz":[0.009432510008644176,-0.006434892687803845,2.9062339697609487]},{"species":[{"element":"Ir","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.748352414422072,0.7483524144222421,0.75164758557787],"properties":{"magmom":-0.0},"label":"Ir","xyz":[7.866491132425714,3.324056564536982,8.718701911860242]},{"species":[{"element":"Ir","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.248352414422072,0.248352414422242,0.25164758557787004],"properties":{"magmom":-0.0},"label":"Ir","xyz":[2.6106343277292607,1.1031010262627823,2.9062339706162184]}]} | false | -34.802085 | -34.802085 | -0.714328 | 0 | true | -0.021992 | 0 | null | null | 7.900965 | 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-3249703 | NaLaCoH6 | 216 | Cubic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.346243828415477,-5.850754000000001e-10,2.5093044533197753],[1.448748274281745,4.097677888888999,2.5093044533197753],[2.2605571000000002e-9,1.5984551000000002e-9,5.018609898808751]],"pbc":[true,true,true],"a":5.018609793109052,"b":5.018609815753223,"c":5.018609898808751,"alpha":60.000005966536165,"beta":60.000005817279096,"gamma":60.00000026658899,"volume":89.37896927396497},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Na","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.25,0.25,0.25],"properties":{"magmom":0.0},"label":"Na","xyz":[1.4487480262394448,1.0244194724755946,2.5093047013620753]},{"species":[{"element":"La","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.75,0.75,0.75],"properties":{"magmom":0.016},"label":"La","xyz":[4.3462440787183345,3.073258417426784,7.527914104086226]},{"species":[{"element":"Co","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.0],"properties":{"magmom":0.111},"label":"Co","xyz":[0.0,0.0,0.0]},{"species":[{"element":"H","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.77655107203742,0.223448927962579,0.223448927962579],"properties":{"magmom":-0.001},"label":"H","xyz":[3.6988015535730705,0.9156217313110429,3.6307074550709757]},{"species":[{"element":"H","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.223448927962579,0.77655107203742,0.223448927962579],"properties":{"magmom":-0.001},"label":"H","xyz":[2.096190550134384,3.1820561577072226,3.6307074550709753]},{"species":[{"element":"H","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.77655107203742,0.77655107203742,0.223448927962579],"properties":{"magmom":-0.001},"label":"H","xyz":[4.50010733030303,3.182056157383616,5.0186091283386896]},{"species":[{"element":"H","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.223448927962579,0.77655107203742,0.77655107203742],"properties":{"magmom":-0.001},"label":"H","xyz":[2.096190551384703,3.182056158591332,6.406511350377316]},{"species":[{"element":"H","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.77655107203742,0.223448927962579,0.77655107203742],"properties":{"magmom":-0.001},"label":"H","xyz":[3.6988015548233895,0.9156217321951517,6.406511350377317]},{"species":[{"element":"H","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.223448927962579,0.223448927962579,0.77655107203742],"properties":{"magmom":-0.001},"label":"H","xyz":[1.2948847746547438,0.9156217325187582,5.018609677109602]}]} | false | -7.959344 | -7.959344 | -0.48447 | 0 | true | -0.065559 | 0 | null | null | 5.620983 | false | true | true | FM | 0.147897 | 0.001655 | 0.147897 | 1 | 1 | [
"Na+",
"Co3+",
"La2+",
"H-"
] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249704 | SrLa3(GaIr2)2 | 1 | Triclinic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.754304030092775,0.106753745499732,-1.132307883982573],[2.722267987858392,4.9991030971761985,-1.09085977101698],[-0.153189655984508,-0.034135138674951,7.9035723926653985]],"pbc":[true,true,true],"a":5.865622931714011,"b":5.795839008628384,"c":7.905130539370976,"alpha":101.5956567240858,"beta":102.24501516578566,"gamma":59.1487660606396,"volume":224.1017806813152},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Sr","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.49723027212706206,0.210721754539086,0.8527233224844011],"properties":{"magmom":-0.0},"label":"Sr","xyz":[3.304226853090636,1.0773931408197923,5.9466748679805495]},{"species":[{"element":"La","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.49660308069187603,0.7938904563654241,0.141653021287375],"properties":{"magmom":-0.0},"label":"La","xyz":[4.997087906211455,4.0169191326002105,-0.3087658365362563]},{"species":[{"element":"La","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.20592330677471402,0.504908184867645,0.35642721084757],"properties":{"magmom":-0.0},"label":"La","xyz":[2.5048397407233876,2.53390446277554,2.0330956529634943]},{"species":[{"element":"La","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.792454430856217,0.496561410077873,0.64964990407801],"properties":{"magmom":-0.0},"label":"La","xyz":[5.812277310485545,2.5447832721243637,3.6955737809198497]},{"species":[{"element":"Ga","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.884494292461319,0.11770357531127401,0.24837805564526802],"properties":{"magmom":0.0},"label":"Ga","xyz":[5.372020797932186,0.6743569671074171,0.833155987638375]},{"species":[{"element":"Ga","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.110968192683806,0.88652335801278,0.752171157306996],"properties":{"magmom":-0.0},"label":"Ga","xyz":[2.936674035550124,4.417992468199092,4.85211636668056]},{"species":[{"element":"Ir","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.9985803210811781,0.28166784801487604,0.012480997440761001],"properties":{"magmom":-0.0},"label":"Ir","xyz":[6.510998172124326,1.5142627602654204,-1.3393160277326943]},{"species":[{"element":"Ir","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.721839310201133,0.9998487270177421,0.484145875557949],"properties":{"magmom":-0.0},"label":"Ir","xyz":[6.801372893908091,5.058879531353911,1.9184428807671452]},{"species":[{"element":"Ir","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.27783685674011505,0.9830959869967371,0.504257350443445],"properties":{"magmom":0.0},"label":"Ir","xyz":[4.197761468799129,4.92704542392651,2.5984177471526713]},{"species":[{"element":"Ir","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.014067936382581001,0.7250796987965411,0.9981111049082331],"properties":{"magmom":-0.0},"label":"Ir","xyz":[1.9019121389059943,3.592179311874615,7.081753864089851]}]} | false | -34.461343 | -34.461343 | -0.791046 | 0 | true | -0.024381 | 0 | null | null | 7.655966 | false | true | false | NM | 0.000839 | 0.000004 | 0.000839 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249705 | SrDyTcH6 | 216 | Cubic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.477287885092762,-7.2684013000000015e-9,2.584964015297798],[1.4924302824066071,4.221229308420996,2.584964015297795],[-3.3178878e-9,-2.3461016e-9,5.169927042113944]],"pbc":[true,true,true],"a":5.169927056195564,"b":5.169928817933683,"c":5.169927042113944,"alpha":60.000005074544696,"beta":59.99999380208013,"gamma":59.99999624934981,"volume":97.70985744846442},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Sr","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.75,0.75,0.75],"properties":{"magmom":-0.0},"label":"Sr","xyz":[4.477288623136111,3.16592197410487,7.754891304532153]},{"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":[1.4924295410453703,1.0553073247016234,2.584963768177384]},{"species":[{"element":"Tc","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.0],"properties":{"magmom":-0.0},"label":"Tc","xyz":[0.0,0.0,0.0]},{"species":[{"element":"H","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7578119603306911,0.7578119603306911,0.24218803966930802],"properties":{"magmom":-0.0},"label":"H","xyz":[4.523923826330885,3.1988980511436034,5.169927791197155]},{"species":[{"element":"H","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.24218803966930802,0.7578119603306911,0.24218803966930802],"properties":{"magmom":-0.0},"label":"H","xyz":[2.2153270930896434,3.198898054891365,3.837058510860713]},{"species":[{"element":"H","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7578119603306911,0.24218803966930802,0.24218803966930802],"properties":{"magmom":-0.0},"label":"H","xyz":[3.754391072802615,1.0223312451248308,3.837058510860715]},{"species":[{"element":"H","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.24218803966930802,0.24218803966930802,0.7578119603306911],"properties":{"magmom":-0.0},"label":"H","xyz":[1.445794337850591,1.0223312476628863,5.169927281512372]},{"species":[{"element":"H","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7578119603306911,0.24218803966930802,0.7578119603306911],"properties":{"magmom":-0.0},"label":"H","xyz":[3.754391071091833,1.0223312439151246,6.502796561848814]},{"species":[{"element":"H","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.24218803966930802,0.7578119603306911,0.7578119603306911],"properties":{"magmom":-0.0},"label":"H","xyz":[2.215327091378861,3.198898053681659,6.502796561848812]}]} | false | -11.049962 | -11.049962 | -0.625206 | 0 | true | -0.068901 | 2.237 | 5.1404 | 2.9034 | 2.996852 | false | false | false | NM | 0 | 0 | 0 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249706 | SmGdCl3 | 12 | Monoclinic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[3.8530970991297813,-0.0038895351638010005,0.793672734388659],[1.463514059200145,7.392093769329324,2.678521150936883],[0.007032408219155001,-0.08306249232778501,9.706926069836753]],"pbc":[true,true,true],"a":3.9339914581907895,"b":7.997462050678962,"c":9.707283994901635,"alpha":70.90517183598143,"beta":78.31926581730939,"gamma":75.76556220318793,"volume":277.2517830180194},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Sm","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.451664050047945,0.7522619076387961,0.341521459207044],"properties":{"magmom":-0.006},"label":"Sm","xyz":[2.84365303736779,5.5306661735704905,5.688546428066797]},{"species":[{"element":"Sm","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.727131666247764,0.7820850938717421,0.761160432980801],"properties":{"magmom":0.006},"label":"Sm","xyz":[3.9516542351618136,5.715194262685379,10.060464093808932]},{"species":[{"element":"Gd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.9973071386358751,0.0021866120019850004,0.000508059801362],"properties":{"magmom":-7.203},"label":"Gd","xyz":[3.8459249531101567,0.012242379057627359,0.8023240691735506]},{"species":[{"element":"Gd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.18157114412895903,0.5324242279532571,0.10197270345244601],"properties":{"magmom":7.203},"label":"Gd","xyz":[1.4795387054752305,3.9265534838452636,2.560059115845228]},{"species":[{"element":"Cl","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5409192130544931,0.12676570759292302,0.788579935532411],"properties":{"magmom":0.009000000000000001},"label":"Cl","xyz":[2.275283261990628,0.8694586581173122,8.423544594279193]},{"species":[{"element":"Cl","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6381457820429041,0.407726964315593,0.31392474479618204],"properties":{"magmom":-0.009000000000000001},"label":"Cl","xyz":[3.0577594531577867,2.9853984903398327,4.645828494728094]},{"species":[{"element":"Cl","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.931146873694309,0.577268567134197,0.5578447607892011],"properties":{"magmom":-0.003},"label":"Cl","xyz":[4.436562973911314,4.21726567367132,7.7002098036289315]},{"species":[{"element":"Cl","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.247716564949875,0.9570899729133231,0.544745728967278],"properties":{"magmom":0.003},"label":"Cl","xyz":[2.359021483434631,7.0286873852371805,8.047998137199775]},{"species":[{"element":"Cl","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.358595662233121,0.11117476208646301,0.16933910107977102],"properties":{"magmom":0.002},"label":"Cl","xyz":[1.545600594938989,0.8063537679039384,2.2261536863973905]},{"species":[{"element":"Cl","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.820427904964759,0.423246184491716,0.9330680733935061],"properties":{"magmom":-0.002},"label":"Cl","xyz":[3.7871768377596458,3.04798144040035,10.842047922472311]}]} | false | -20.396687 | -20.396687 | -2.079238 | 0 | true | -0.018773 | 0.956 | 4.434 | 3.478 | 3.554942 | false | false | true | AFM | 0 | 0 | 0 | 2 | 2 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249707 | Li3Ho3HgP2 | 189 | Hexagonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[6.942894129101264,-3.9073361e-9,0.0],[-3.471446071249717,6.012723118752595,0.0],[0.0,0.0,4.101449381607463]],"pbc":[true,true,true],"a":6.942894129101264,"b":6.942894002386687,"c":4.101449381607463,"alpha":90.0,"beta":90.0,"gamma":119.99999117072815,"volume":171.21787556270294},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Li","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.254149105487655,1.208e-13,0.5],"properties":{"magmom":0.0},"label":"Li","xyz":[1.7645303324061583,-9.923196377018774e-10,2.0507246908037313]},{"species":[{"element":"Li","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7458508945122371,0.7458508945122511,0.5],"properties":{"magmom":0.0},"label":"Li","xyz":[2.5891826392012955,4.484594913661825,2.0507246908037313]},{"species":[{"element":"Li","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[1.0660000000000001e-13,0.25414910548762704,0.5],"properties":{"magmom":0.0},"label":"Li","xyz":[-0.8822649137559126,1.528128202175747,2.0507246908037313]},{"species":[{"element":"Ho","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[1.137e-13,0.572919274697198,0.0],"properties":{"magmom":0.0},"label":"Ho","xyz":[-1.9888583652900362,3.444804968150811,0.0]},{"species":[{"element":"Ho","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.572919274697234,1.279e-13,0.0],"properties":{"magmom":0.0},"label":"Ho","xyz":[3.977717868743936,-2.237819137123431e-9,0.0]},{"species":[{"element":"Ho","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.42708072530265806,0.42708072530267305,0.0],"properties":{"magmom":0.0},"label":"Ho","xyz":[1.48258855439769,2.5679181489322604,0.0]},{"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":"P","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.5],"properties":{"magmom":-0.0},"label":"P","xyz":[-2.809246088635196e-6,4.008484082106968,2.0507246908037313]},{"species":[{"element":"P","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.5],"properties":{"magmom":-0.0},"label":"P","xyz":[3.4714508670976323,2.004239032738285,2.0507246908037313]}]} | false | -20.239788 | -20.239788 | -0.997998 | 0 | true | -0.042882 | 0.0322 | 4.4996 | 4.4674 | 4.483596 | false | false | false | NM | 0 | 0 | 0 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249708 | Th(TeBr)2 | 12 | Monoclinic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[7.882683410919701,-0.127247345427478,1.230321533477356],[-4.714585152690674,6.318668271802875,1.230321497687121],[0.021582250344794003,0.042178919520422006,7.660926197820091]],"pbc":[true,true,true],"a":7.979134083310361,"b":7.979133591984205,"c":7.661072709694645,"alpha":80.9738770171436,"beta":80.97388144787072,"gamma":124.9300223229322,"volume":376.15507566411475},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Th","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.85253196356502,0.147468036446085,0.49999999999446404],"properties":{"magmom":-0.0},"label":"Th","xyz":[6.035780076519901,0.8444086335012005,5.060784627080738]},{"species":[{"element":"Th","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.14746803643497902,0.852531963553914,0.500000000005535],"properties":{"magmom":-0.0},"label":"Th","xyz":[-2.846099567946082,5.389191212394612,5.06078460190382]},{"species":[{"element":"Te","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.11949528118643801,0.11949528118893901,0.15723335016214401],"properties":{"magmom":0.0},"label":"Te","xyz":[0.381966241707301,0.746477517379043,1.4985883223397143]},{"species":[{"element":"Te","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8805047188135611,0.8805047188110601,0.8427666498378551],"properties":{"magmom":0.0},"label":"Te","xyz":[2.8077142668665176,5.4871223285167705,8.622980906644845]},{"species":[{"element":"Te","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.647430044454807,0.647430044448093,0.6274000859989071],"properties":{"magmom":0.0},"label":"Te","xyz":[2.0646627019164425,4.034974983293676,6.399559982389573]},{"species":[{"element":"Te","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.35256995554519205,0.352569955551906,0.37259991400109904],"properties":{"magmom":0.0},"label":"Te","xyz":[1.1250178066573755,2.1986248626021374,3.7220092465950394]},{"species":[{"element":"Br","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.013464102270397,0.442687457459335,0.7370099426488751],"properties":{"magmom":0.0},"label":"Br","xyz":[-1.9650481255215302,2.8265682035576507,6.2073918483135335]},{"species":[{"element":"Br","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.557312542551265,0.9865358977444031,0.26299005733650904],"properties":{"magmom":0.0},"label":"Br","xyz":[-0.2523132449801628,6.173769170922106,3.914177365228309]},{"species":[{"element":"Br","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.986535897729602,0.5573125425406571,0.262990057351125],"properties":{"magmom":0.0},"label":"Br","xyz":[5.15472863409538,3.407031642338118,3.9141773806710245]},{"species":[{"element":"Br","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.44268745744873406,0.013464102255596001,0.7370099426634901],"properties":{"magmom":0.0},"label":"Br","xyz":[3.4419937535539806,0.05983067497370713,6.20739186375625]}]} | false | -31.628347 | -31.628347 | -1.462853 | 0 | true | -0.000328 | 0.8133 | 3.5688 | 2.7555 | 2.82762 | false | false | false | NM | 0 | 0 | 0 | 0 | 0 | [
"Br-",
"Th4+",
"Te-"
] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249709 | Cs2KTbBr6 | 12 | Monoclinic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[7.092299067864778,0.026449362631566,-4.041719182542468],[2.41692492394517,6.667823896740227,-4.041719181468501],[0.030110683992348,0.021196761733642003,8.533923377847703]],"pbc":[true,true,true],"a":8.163142751866523,"b":8.16314250443895,"c":8.534002822531408,"alpha":119.47475077766492,"beta":119.47474689519457,"gamma":59.66687965162178,"volume":404.234206808827},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Cs","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7459827253287441,0.745982725327863,0.239984262038817],"properties":{"magmom":0.0},"label":"Cs","xyz":[7.100942919447123,4.998899099337891,-3.982098076679677]},{"species":[{"element":"Cs","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.254017274671255,0.25401727467213603,0.7600177379611921],"properties":{"magmom":0.0},"label":"Cs","xyz":[2.4383918165765337,1.7165709641610616,4.432600158363251]},{"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":[4.769667368011832,3.3577350317494794,0.22525104084171907]},{"species":[{"element":"Tb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.0],"properties":{"magmom":-0.0},"label":"Tb","xyz":[0.0,0.0,0.0]},{"species":[{"element":"Br","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.712133581973006,0.19581659762300002,0.18212044221022602],"properties":{"magmom":-0.0},"label":"Br","xyz":[5.529422126023467,1.3283664319810808,-2.1154777580939466]},{"species":[{"element":"Br","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.19581659762535902,0.712133581971073,0.182120442209615],"properties":{"magmom":-0.0},"label":"Br","xyz":[3.1154470473389435,4.757420903358152,-2.1154777575463752]},{"species":[{"element":"Br","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.23063765964089103,0.23063765964020802,0.30832229612842305],"properties":{"magmom":0.0},"label":"Br","xyz":[2.2024689616969253,1.5504869517817592,0.7668535447179093]},{"species":[{"element":"Br","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7693623403591091,0.769362340359791,0.691677703871576],"properties":{"magmom":0.0},"label":"Br","xyz":[7.33686571410537,5.164983069323669,-0.3163685308811796]},{"species":[{"element":"Br","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.80418340237464,0.28786741802893,0.8178785577903791],"properties":{"magmom":-0.0},"label":"Br","xyz":[6.4238900152775935,1.9580557643744387,2.5659501957404918]},{"species":[{"element":"Br","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.287867418026998,0.804183402376999,0.817878557789768],"properties":{"magmom":-0.0},"label":"Br","xyz":[4.00991961196724,5.387103594376949,2.565950196288057]}]} | false | -18.832656 | -18.832656 | -2.131167 | 0 | true | -0.002559 | 5.0145 | 3.4595 | -1.555 | -1.506677 | false | false | false | NM | 0 | 0 | 0 | 0 | 0 | [
"Br-",
"K+",
"Cs+",
"Tb3+"
] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249710 | LaPr(BiAu2)2 | 187 | Hexagonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.922158795647163,0.0,0.0],[-2.461079397823581,4.262714711625038,0.0],[0.0,0.0,9.561143650836922]],"pbc":[true,true,true],"a":4.922158795647163,"b":4.922158928264732,"c":9.561143650836922,"alpha":90.0,"beta":90.0,"gamma":119.99999910873379,"volume":200.6096090845972},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"La","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666668000000001,0.333333999999999,0.750000999999997],"properties":{"magmom":0.0},"label":"La","xyz":[2.4610843199823846,1.4209077456848163,7.170867299271314]},{"species":[{"element":"Pr","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.333333999999999,0.666668000000001,0.25000099999999703],"properties":{"magmom":-0.0},"label":"Pr","xyz":[-7.132767441572675e-15,2.8418154913696454,2.390295473852853]},{"species":[{"element":"Bi","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.001244983867579],"properties":{"magmom":-0.0},"label":"Bi","xyz":[0.0,0.0,0.01190346960089735]},{"species":[{"element":"Bi","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.49875501613242],"properties":{"magmom":-0.0},"label":"Bi","xyz":[0.0,0.0,4.768668355817554]},{"species":[{"element":"Au","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666668000000001,0.333333999999999,0.10459448042034501],"properties":{"magmom":0.0},"label":"Au","xyz":[2.4610843199823846,1.4209077456848163,1.0000428523835685]},{"species":[{"element":"Au","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666668000000001,0.333333999999999,0.39540551957965403],"properties":{"magmom":0.0},"label":"Au","xyz":[2.4610843199823846,1.4209077456848163,3.7805289730348832]},{"species":[{"element":"Au","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.333333999999999,0.666668000000001,0.6032581975046081],"properties":{"magmom":0.0},"label":"Au","xyz":[-7.132767441572675e-15,2.8418154913696454,5.767838284886509]},{"species":[{"element":"Au","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.333333999999999,0.666668000000001,0.896741802495391],"properties":{"magmom":0.0},"label":"Au","xyz":[-7.132767441572675e-15,2.8418154913696454,8.573877191368865]}]} | false | -48.087161 | -48.087161 | -0.77552 | 0 | true | -0.00911 | 0 | null | null | 7.325582 | false | true | false | NM | 0.00002 | 0 | 0.00002 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249711 | CaAc(BIr)4 | 22 | Orthorhombic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.957507024893197,-0.029385926459180003,3.9689524347656593],[3.8072075652605792,4.588569277836263,1.6345106414136321],[-0.0047260878957750005,0.010149913573202001,5.603463073999368]],"pbc":[true,true,true],"a":7.158584840159255,"b":6.182347652742815,"c":5.603474259629181,"alpha":74.62068938767378,"beta":56.37725908594685,"gamma":49.002043461711125,"volume":153.9464361858454},"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":[2.4399971255645,1.1423333162375713,2.801731537544665]},{"species":[{"element":"Ac","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.0],"properties":{"magmom":-0.0},"label":"Ac","xyz":[0.0,0.0,0.0]},{"species":[{"element":"B","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.327339003121402,0.6726609968788461,0.327339003120648],"properties":{"magmom":0.0},"label":"B","xyz":[4.509537413889691,3.080254887394853,4.232896507561143]},{"species":[{"element":"B","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.571108341419005,0.9288916585811501,0.57110834141855],"properties":{"magmom":0.0},"label":"B","xyz":[6.936166197616873,4.251297879589006,6.9851696452530545]},{"species":[{"element":"B","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.672660996878597,0.32733900312115305,0.6726609968793511],"properties":{"magmom":0.0},"label":"B","xyz":[5.250451088368301,1.4890783775554277,6.974029642617506]},{"species":[{"element":"B","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.9288916585809941,0.571108341418849,0.9288916585814491],"properties":{"magmom":0.0},"label":"B","xyz":[7.703816555770122,2.6027020178364175,9.825219580014924]},{"species":[{"element":"Ir","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6328008316211681,0.632800831620521,0.367199168379016],"properties":{"magmom":-0.0},"label":"Ir","xyz":[6.177384097645185,2.8887820560850317,5.603463075378799]},{"species":[{"element":"Ir","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8785533742816861,0.8785533742815941,0.6214466257183701],"properties":{"magmom":-0.0},"label":"Ir","xyz":[8.575885940701184,4.011793546862199,8.405194612914396]},{"species":[{"element":"Ir","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.621446625718313,0.621446625718405,0.878553374281629],"properties":{"magmom":-0.0},"label":"Ir","xyz":[6.06409681268581,2.8422063505632242,8.405194612353585]},{"species":[{"element":"Ir","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.36719916837883204,0.367199168379485,0.632800831620983],"properties":{"magmom":-0.0},"label":"Ir","xyz":[3.58260440461284,1.680551208865281,5.603463074799865]}]} | false | -32.237887 | -32.237887 | -0.788026 | 0 | true | -0.290281 | 0 | null | null | 7.464317 | 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-3249712 | YbFeClO2 | 12 | Monoclinic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.21848415344599,0.041131369052346003,-1.126063886652003],[3.8107324435507453,3.565471339508752,-1.126063887198975],[-0.08493712742109101,-0.033927037493068,8.472551709223218]],"pbc":[true,true,true],"a":5.338753461821294,"b":5.338753366399522,"c":8.473045368989172,"alpha":102.75248604924738,"beta":102.75248577515464,"gamma":41.63945802625709,"volume":155.9244514993292},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Yb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6068615600266151,0.6068615600252151,0.293429870695447],"properties":{"magmom":-0.062},"label":"Yb","xyz":[5.454561379549895,2.178753339883941,1.1193699782809616]},{"species":[{"element":"Yb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.39313843997338405,0.39313843997478404,0.7065691293045541],"properties":{"magmom":-0.062},"label":"Yb","xyz":[3.4897181749628685,1.393922365111123,5.10104548453958]},{"species":[{"element":"Fe","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.138268824520722,0.138268824519542,0.9982537388528521],"properties":{"magmom":3.669},"label":"Fe","xyz":[1.1636703601897105,0.4648129249961318,8.146357361396683]},{"species":[{"element":"Fe","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.861731175479278,0.8617311754804571,0.0017452611471490001],"properties":{"magmom":3.669},"label":"Fe","xyz":[7.780609194323058,3.1078627799989325,-1.9259418985761425]},{"species":[{"element":"Cl","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33439827774596104,0.334398277745521,0.371479919352509],"properties":{"magmom":0.001},"label":"Cl","xyz":[2.987802042184858,1.193438521103386,2.3942751768130868]},{"species":[{"element":"Cl","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.665601722254038,0.665601722254479,0.6285190806474931],"properties":{"magmom":0.001},"label":"Cl","xyz":[5.956477512327909,2.3792371838916813,3.8261402860074627]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6834167766564291,0.683416776655818,0.06137457747122],"properties":{"magmom":0.212},"label":"O","xyz":[6.1655051221428225,2.462730540172006,-1.0191426225663287]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.023401002223323003,0.023401002221135003,0.167733713032255],"properties":{"magmom":0.131},"label":"O","xyz":[0.19704589789621432,0.07870741002298294,1.3684305100051586]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.9765999977766741,0.9765999977788621,0.8322662869677441],"properties":{"magmom":0.131},"label":"O","xyz":[8.747242600896,3.493971867647745,4.851991173239306]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.31658322334357003,0.31658322334418104,0.9386244225287751],"properties":{"magmom":0.212},"label":"O","xyz":[2.778774432369941,1.109945164823058,7.23955808538682]}]} | false | -16.092524 | -16.092524 | -2.284469 | 0.350826 | false | null | 0 | null | null | 6.443504 | false | true | true | FiM | 8.003849 | 0.051332 | 4.001924 | 6 | 4 | [
"O2-",
"Yb3+",
"Cl-",
"Fe2+"
] | true | null | null | null | null | null | null | null | false | false | false | true | true |
mp-3249713 | LaSn6Ir3Ru | 8 | Monoclinic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[6.073888364141713,-0.107267108461048,-3.444027879628146],[-2.111776676067722,5.695965014817618,-3.444027885221542],[0.034382169434682,0.048497759119314005,6.911198374036587]],"pbc":[true,true,true],"a":6.983190827141246,"b":6.983190263324742,"c":6.911454053345113,"alpha":119.27165093800177,"beta":119.27165214550993,"gamma":91.85244451278724,"volume":239.59320784757384},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"La","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0016145809032430002,0.0016145809029380002,0.000831706138278],"properties":{"magmom":0.001},"label":"La","xyz":[0.006425745730090383,0.009063740795812448,-0.005373237186805572]},{"species":[{"element":"Sn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.47181099857984005,0.13353661718482301,0.004407466401772001],"properties":{"magmom":0.0},"label":"Sn","xyz":[2.583879359032883,0.7102238503679457,-2.054373191677302]},{"species":[{"element":"Sn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.133536617182727,0.47181099858016,0.004407466401232],"properties":{"magmom":0.0},"label":"Sn","xyz":[-0.1851214187642064,2.673308606963749,-2.0543731935670198]},{"species":[{"element":"Sn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8672209654836671,0.8672209654824741,0.338288354895084],"properties":{"magmom":0.0},"label":"Sn","xyz":[3.447657411023951,4.863042221288869,-3.6354884423877603]},{"species":[{"element":"Sn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5317648597025411,0.531764859701347,0.660932710604619],"properties":{"magmom":-0.0},"label":"Sn","xyz":[2.1296360663779175,3.0039269134797637,0.9050110674637757]},{"species":[{"element":"Sn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.9952304514699291,0.500204686047645,0.501197485902245],"properties":{"magmom":-0.0},"label":"Sn","xyz":[5.00583032644804,2.7666998541361467,-1.686445058945098]},{"species":[{"element":"Sn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.500204686047531,0.995230451470234,0.501197485902245],"properties":{"magmom":-0.0},"label":"Sn","xyz":[0.9537152244265958,5.639449277887105,-1.6864450617146303]},{"species":[{"element":"Ir","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.395387123699087,0.7647375957347291,0.9982629230866281],"properties":{"magmom":-0.0},"label":"Ir","xyz":[0.8209046769445626,4.361920072120422,2.9036912090439913]},{"species":[{"element":"Ir","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.76473759573345,0.39538712369877504,0.9982629230863581],"properties":{"magmom":-0.0},"label":"Ir","xyz":[3.844283923464451,2.218493548053392,2.9036912111135282]},{"species":[{"element":"Ir","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.24116537107595,0.24116537107549602,0.639484410363643],"properties":{"magmom":-0.0},"label":"Ir","xyz":[0.9775109968476421,1.3788139653096538,2.758443092606707]},{"species":[{"element":"Ru","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5973267501220361,0.597326750121368,0.35272706721788405],"properties":{"magmom":-0.0},"label":"Ru","xyz":[2.3788028200484663,3.3553852301547873,-1.6766532312397844]}]} | false | -33.293569 | -33.293569 | -0.500435 | 0 | true | -0.019733 | 0 | null | null | 9.392253 | false | true | false | NM | 0.000773 | 0.000003 | 0.000773 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249714 | NdIn2(SnIr)4 | 42 | Orthorhombic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[6.068991516182178,0.079027382336965,-3.450046384451371],[-2.017832191054478,5.724268818197768,-3.450046387517789],[-0.07284779215903,-0.10435419505860101,6.949181036803348]],"pbc":[true,true,true],"a":6.981527297484145,"b":6.981527077242594,"c":6.9503462993663865,"alpha":120.2229525636551,"beta":120.2229550710254,"gamma":89.87188522867496,"volume":238.19615617800474},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Nd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.9981729842854461,0.9981729842854741,1.4199999999999991e-14],"properties":{"magmom":-0.0},"label":"Nd","xyz":[4.043757793378473,5.792693487180303,-6.88748619404289]},{"species":[{"element":"In","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.875567451625713,0.5370572528576291,0.9999999999995871],"properties":{"magmom":0.0},"label":"In","xyz":[4.157272230347294,3.0390996948227493,2.0755602808641958]},{"species":[{"element":"In","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.537057252858069,0.8755674516252651,0.999999999999943],"properties":{"magmom":0.0},"label":"In","xyz":[1.419799929811708,4.950071495367247,2.0755602798286836]},{"species":[{"element":"Sn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.463715315050208,0.463715315050897,0.337208007624894],"properties":{"magmom":-0.0},"label":"Sn","xyz":[1.8540197639149705,2.6558882557615724,-0.856359201586567]},{"species":[{"element":"Sn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.499745337273083,0.9997443372730781,0.500000999999997],"properties":{"magmom":0.0},"label":"Sn","xyz":[0.9792099366605933,5.710121699978374,-1.6987114656730904]},{"species":[{"element":"Sn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.9997443372730781,0.499745337273083,0.500000999999997],"properties":{"magmom":0.0},"label":"Sn","xyz":[5.022613703455174,2.8875066272894356,-1.698711464139884]},{"species":[{"element":"Sn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.126508307425922,0.126508307426199,0.6627939923756111],"properties":{"magmom":-0.0},"label":"Sn","xyz":[0.46422223033325466,0.6649998462584853,3.732956385459167]},{"species":[{"element":"Ir","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.601710380596308,0.24841615508234502,9.24e-14],"properties":{"magmom":0.0},"label":"Ir","xyz":[3.1505130805345987,1.4695524467779442,-2.932975981505412]},{"species":[{"element":"Ir","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.24841615508252302,0.601710380596003,0.999999999999666],"properties":{"magmom":0.0},"label":"Ir","xyz":[0.22063716986116627,3.3596294526394304,4.0162050542120635]},{"species":[{"element":"Ir","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.761541199292153,0.7615411992920681,0.37371892005432905],"properties":{"magmom":0.0},"label":"Ir","xyz":[3.0579001327674944,4.38045001132189,-2.6576644924560475]},{"species":[{"element":"Ir","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.38782327923748705,0.387823279237935,0.626282079945852],"properties":{"magmom":0.0},"label":"Ir","xyz":[1.5255106273908252,2.1852982005480177,1.6761309477799664]}]} | false | -35.340687 | -35.340687 | -0.522747 | 0 | true | -0.014274 | 0 | null | null | 8.25177 | false | true | false | NM | 0 | 0 | 0 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249715 | YbInSn5Ir4 | 8 | Monoclinic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.9861505412900025,0.038256839266788,-3.406639978557276],[-2.033752554125036,5.719224640429584,-3.454974429645352],[-0.009355995672401,-0.07244768207615601,6.918460008977177]],"pbc":[true,true,true],"a":6.887717897260456,"b":6.984449029709518,"c":6.918845647729809,"alpha":120.18672136169339,"beta":119.72265998307222,"gamma":90.22116557833726,"volume":235.21830489394492},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Yb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0021589981953830002,0.999265244314486,0.999999999999829],"properties":{"magmom":0.0},"label":"Yb","xyz":[-2.0286901503294272,5.642657321979091,3.458669211870104]},{"species":[{"element":"In","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.46338151787659104,0.12180660885958601,1.1511e-12],"properties":{"magmom":-0.0},"label":"In","xyz":[2.5261470221832356,0.7143668710054344,-1.999412723086667]},{"species":[{"element":"Sn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.129523961798469,0.457214223055515,0.999999999999943],"properties":{"magmom":0.0},"label":"Sn","xyz":[-0.1638666555639172,2.547418345765539,4.897555053006022]},{"species":[{"element":"Sn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8724370273345481,0.874553150987125,0.33470490547770004],"properties":{"magmom":0.0},"label":"Sn","xyz":[3.4407831812348015,5.010894019034654,-3.6779951267618722]},{"species":[{"element":"Sn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.49993816210201203,0.002149263517367,0.502073316668813],"properties":{"magmom":-0.0},"label":"Sn","xyz":[2.9836366337325746,-0.0049558732467715845,1.7630391826294824]},{"species":[{"element":"Sn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.9978648454332061,0.500076946848658,0.497926683331236],"properties":{"magmom":-0.0},"label":"Sn","xyz":[4.951677816817322,2.8621539174781403,-1.6822334938370684]},{"species":[{"element":"Sn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.537732121856016,0.539848245510206,0.6652950945211981],"properties":{"magmom":0.0},"label":"Sn","xyz":[2.1148031861459007,3.0598862316743864,0.9057958774177945]},{"species":[{"element":"Ir","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.757828410115266,0.402670368517732,0.999999999999808],"properties":{"magmom":-0.0},"label":"Ir","xyz":[3.708187061300635,2.259506731198917,2.9455956233860494]},{"species":[{"element":"Ir","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.395208894708623,0.7511563946459601,7.248e-13],"properties":{"magmom":-0.0},"label":"Ir","xyz":[0.838113702824066,4.311151604237044,-3.9415605567571985]},{"species":[{"element":"Ir","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.605717956662267,0.6093857032447331,0.36750985274479503],"properties":{"magmom":0.0},"label":"Ir","xyz":[2.383140723129802,3.4817613470603135,-1.62627281027775]},{"species":[{"element":"Ir","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.238208103917593,0.241875850498622,0.632490147254799],"properties":{"magmom":0.0},"label":"Ir","xyz":[0.9281163663926746,1.3466329681355862,2.7286936612109534]}]} | false | -36.129592 | -36.129592 | -0.46811 | 0.016343 | false | null | 0 | null | null | 8.475732 | false | true | false | NM | 0.000002 | 0 | 0.000002 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | true | true |
mp-3249716 | Pr2CoRuBr | 186 | Hexagonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.085576411119997,8.134745300000001e-9,0.0],[-2.042788691431547,3.538213383580409,0.0],[0.0,0.0,17.27729245652906]],"pbc":[true,true,true],"a":4.085576411119997,"b":4.085577019906507,"c":17.27729245652906,"alpha":90.0,"beta":90.0,"gamma":120.00000282467343,"volume":249.75433986572503},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Pr","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.612958514413612],"properties":{"magmom":0.014},"label":"Pr","xyz":[0.0,0.0,10.590263517243558]},{"species":[{"element":"Pr","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.387085341507358],"properties":{"magmom":0.028},"label":"Pr","xyz":[0.0,0.0,6.687786650858052]},{"species":[{"element":"Pr","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.11295851441361202],"properties":{"magmom":0.014},"label":"Pr","xyz":[0.0,0.0,1.951617288979028]},{"species":[{"element":"Pr","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.8870853415073581],"properties":{"magmom":0.028},"label":"Pr","xyz":[0.0,0.0,15.326432879122583]},{"species":[{"element":"Co","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.9990092515440521],"properties":{"magmom":1.282},"label":"Co","xyz":[2.042790086391161,1.1794032872121856,17.260175005704795]},{"species":[{"element":"Co","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.499009251544052],"properties":{"magmom":1.282},"label":"Co","xyz":[-2.3667027125848587e-6,2.3588101045029655,8.621528777440263]},{"species":[{"element":"Ru","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.501257881199286],"properties":{"magmom":0.47600000000000003},"label":"Ru","xyz":[2.042790086391161,1.1794032872121856,8.660379009620165]},{"species":[{"element":"Ru","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.001257881199286],"properties":{"magmom":0.47600000000000003},"label":"Ru","xyz":[-2.3667027125848587e-6,2.3588101045029655,0.021732781355633737]},{"species":[{"element":"Br","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.249690011335701],"properties":{"magmom":0.001},"label":"Br","xyz":[2.042790086391161,1.1794032872121856,4.313967349320963]},{"species":[{"element":"Br","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.749690011335701],"properties":{"magmom":0.001},"label":"Br","xyz":[-2.3667027125848587e-6,2.3588101045029655,12.952613577585494]}]} | false | -22.913923 | -22.913923 | -0.768811 | 0 | true | -0.029386 | 0 | null | null | 5.686015 | false | true | true | FM | 3.716892 | 0.014882 | 1.858446 | 4 | 2 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249717 | SmCoRe2C | 63 | Orthorhombic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.6870409524706185,0.016059116174547,0.0],[-4.365999681473561,3.64427566269385,0.0],[0.0,0.0,7.466546348110155]],"pbc":[true,true,true],"a":5.687063626362046,"b":5.687064121700224,"c":7.466546348110155,"alpha":90.0,"beta":90.0,"gamma":139.98664345470837,"volume":155.2687653828971},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Sm","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5332689233742011,0.466731076625485,0.25],"properties":{"magmom":-0.0},"label":"Sm","xyz":[0.994974474028318,1.7094605311618953,1.8666365870275388]},{"species":[{"element":"Sm","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.46673107662579805,0.533268923374514,0.75],"properties":{"magmom":-0.0},"label":"Sm","xyz":[0.3260667969687387,1.9508742477064982,5.599909761082616]},{"species":[{"element":"Co","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.26184236459230403,0.7381576354107501,0.25],"properties":{"magmom":0.005},"label":"Co","xyz":[-1.733687750552436,2.6942548629114422,1.8666365870275388]},{"species":[{"element":"Co","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7381576354076951,0.26184236458924903,0.75],"properties":{"magmom":0.005},"label":"Co","xyz":[3.054729021549493,0.9660799159569513,5.599909761082616]},{"species":[{"element":"Re","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.822513064034687,0.17748693596165302,0.06449453644106],"properties":{"magmom":0.0},"label":"Re","xyz":[3.9027575732330577,0.6600201540215697,0.48155144553705387]},{"species":[{"element":"Re","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.177486935965312,0.822513064038346,0.935505463558939],"properties":{"magmom":0.0},"label":"Re","xyz":[-2.5817163022360017,3.000314624846824,6.984994902573094]},{"species":[{"element":"Re","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.177486935965312,0.822513064038346,0.5644945364410601],"properties":{"magmom":0.0},"label":"Re","xyz":[-2.5817163022360017,3.000314624846824,4.2148246195921315]},{"species":[{"element":"Re","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.822513064034687,0.17748693596165302,0.43550546355893904],"properties":{"magmom":0.0},"label":"Re","xyz":[3.9027575732330577,0.6600201540215697,3.2517217285180164]},{"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":[0.0,0.0,3.7332731740550775]}]} | false | -31.799707 | -31.799707 | -0.252583 | 0 | true | -0.018108 | 0 | null | null | 6.093152 | false | true | false | NM | 0.009217 | 0.000059 | 0.004609 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249718 | U2B(OsRu)3 | 160 | Trigonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.986162572251696,3.4015094000000004e-9,2.878761808672455],[1.662053531360701,4.700997846019815,2.878761808171067],[0.0005953660742880001,0.00042097783280500004,5.756492047159484]],"pbc":[true,true,true],"a":5.757524359305374,"b":5.757523099178663,"c":5.756492093340656,"alpha":59.99407138218028,"beta":59.994078526616946,"gamma":60.00000213477392,"volume":134.91973976304172},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"U","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.24958546223398,0.24958546223327702,0.251243613299315],"properties":{"magmom":-0.0},"label":"U","xyz":[1.6594476711740613,1.1734064891972953,2.8832760550880425]},{"species":[{"element":"U","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7494832171134861,0.749483217112455,0.7515493486613921],"properties":{"magmom":-0.0},"label":"U","xyz":[4.983173840384737,3.523635377439072,8.641455171572982]},{"species":[{"element":"B","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.501587861581647,0.501587861581562,0.495232415255195],"properties":{"magmom":0.0},"label":"B","xyz":[3.3349593433224007,2.358171940459673,5.738705418890241]},{"species":[{"element":"Os","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.755811635423356,0.243803115717057,0.7565801331440121],"properties":{"magmom":0.0},"label":"Os","xyz":[4.174263959798313,1.1464364278744994,7.2329002883287705]},{"species":[{"element":"Os","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.24380311571356103,0.24380311571849902,0.7565801331458101],"properties":{"magmom":0.0},"label":"Os","xyz":[1.6213062421497355,1.1464364261396773,5.7589497160877965]},{"species":[{"element":"Os","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.24380311571451302,0.7558116354212311,0.756580133146293],"properties":{"magmom":0.0},"label":"Os","xyz":[2.4722918104131737,3.553387374406015,7.232900288071745]},{"species":[{"element":"Ru","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.242721400713783,0.756600095750798,0.24407640778361603],"properties":{"magmom":0.0},"label":"Ru","xyz":[2.467903539506758,3.556878172005694,4.281832458533932]},{"species":[{"element":"Ru","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.756600095753157,0.756600095749817,0.24407640778234402],"properties":{"magmom":0.0},"label":"Ru","xyz":[5.030186255387997,3.556878173749045,5.7611668200935755]},{"species":[{"element":"Ru","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7566000957525101,0.242721400715311,0.24407640778199602],"properties":{"magmom":0.0},"label":"Ru","xyz":[4.176092355611641,1.1411355352763588,4.281832458791587]}]} | false | -45.133318 | -45.133318 | -0.415571 | 0.000082 | false | null | 0 | null | null | 11.198909 | false | true | false | NM | 0.000165 | 0.000001 | 0.000165 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | true | true |
mp-3249719 | LaZnRu2C | 63 | Orthorhombic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.752573710917008,0.098295386981621,0.0],[-4.356959704136871,3.757478713558671,0.0],[0.0,0.0,7.5018663281342635]],"pbc":[true,true,true],"a":5.753413446175699,"b":5.753411522420326,"c":7.5018663281342635,"alpha":90.0,"beta":90.0,"gamma":138.24631007523905,"volume":165.3669576000238},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"La","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.544942649020221,0.455057350982677,0.25],"properties":{"magmom":-0.0},"label":"La","xyz":[1.1521562154084046,1.7634336583340382,1.8754665820335659]},{"species":[{"element":"La","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.455057350979778,0.544942649017315,0.75],"properties":{"magmom":-0.0},"label":"La","xyz":[0.24345779137176124,2.092340442206224,5.626399746100698]},{"species":[{"element":"Zn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.269056536663121,0.730943463335876,0.25],"properties":{"magmom":-0.0},"label":"Zn","xyz":[-1.6369236561980103,2.7729515206906434,1.8754665820335659]},{"species":[{"element":"Zn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7309434633368781,0.26905653666412305,0.75],"properties":{"magmom":-0.0},"label":"Zn","xyz":[3.0325376629781458,1.0828225798496451,5.626399746100698]},{"species":[{"element":"Ru","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8308657621834571,0.169134237809544,0.05594545317794],"properties":{"magmom":0.0},"label":"Ru","xyz":[4.042705482111492,0.7171885699269341,0.41969531140780014]},{"species":[{"element":"Ru","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.16913423781654302,0.830865762190455,0.944054546822059],"properties":{"magmom":0.0},"label":"Ru","xyz":[-2.6470914753313504,3.1385855306133545,7.082171016726456]},{"species":[{"element":"Ru","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.16913423781654302,0.830865762190455,0.5559454531779401],"properties":{"magmom":0.0},"label":"Ru","xyz":[-2.6470914753313504,3.1385855306133545,4.170628475474932]},{"species":[{"element":"Ru","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8308657621834571,0.169134237809544,0.444054546822059],"properties":{"magmom":0.0},"label":"Ru","xyz":[4.042705482111492,0.7171885699269341,3.3312378526593243]},{"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":[0.0,0.0,3.7509331640671317]}]} | false | -20.161252 | -20.161252 | -0.270914 | 0 | true | -0.035076 | 0 | null | null | 8.624094 | false | true | false | NM | 0.000183 | 0.000001 | 0.000092 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249720 | NdAgH6Ru | 216 | Cubic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.332739936806927,3.2301859000000003e-9,2.501507346735288],[1.444246648647756,4.084948117749634,2.501507346735293],[9.1363489e-9,6.4603770000000015e-9,5.003018661821335]],"pbc":[true,true,true],"a":5.003016526633939,"b":5.003017940464256,"c":5.003018661821335,"alpha":60.00002136434477,"beta":60.00001201616623,"gamma":60.000017358956306,"volume":88.54851643386814},"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":[1.4442466486477579,1.0212370318600492,2.501508338822979]},{"species":[{"element":"Ag","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.75,0.75,0.75],"properties":{"magmom":0.0},"label":"Ag","xyz":[4.332739945943274,3.063711095580148,7.504525016468937]},{"species":[{"element":"H","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7603364408773741,0.760336440876315,0.23966355912389703],"properties":{"magmom":0.0},"label":"H","xyz":[4.392453421569068,3.1059349170185038,5.003015644543357]},{"species":[{"element":"H","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.239663559122782,0.7603364408759461,0.239663559124096],"properties":{"magmom":0.0},"label":"H","xyz":[2.1365132327780634,3.105934915335127,3.7005486055884833]},{"species":[{"element":"H","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.760336440876471,0.23966355912331402,0.23966355912357],"properties":{"magmom":0.0},"label":"H","xyz":[3.6404733570516146,0.9790132087383047,3.700548605588493]},{"species":[{"element":"H","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.23966355912262502,0.239663559123684,0.7603364408761021],"properties":{"magmom":0.0},"label":"H","xyz":[1.3845331730219586,0.979013210421689,5.00301771074855]},{"species":[{"element":"H","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7603364408772181,0.23966355912405302,0.760336440875903],"properties":{"magmom":0.0},"label":"H","xyz":[3.6404733618129677,0.9790132121050666,6.305484749703425]},{"species":[{"element":"H","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.23966355912352802,0.7603364408766851,0.760336440876429],"properties":{"magmom":0.0},"label":"H","xyz":[2.1365132375394125,3.1059349187018883,6.305484749703413]},{"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 | -11.175461 | -11.175461 | -0.405561 | 0 | true | -0.109743 | 2.6497 | 5.8453 | 3.1956 | 3.325195 | false | false | false | NM | 0 | 0 | 0 | 0 | 0 | [
"Nd3+",
"Ru2+",
"Ag+",
"H-"
] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249721 | Er2AlRuPt | 44 | Orthorhombic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.891762972008207,0.01792734946933,-2.493313712740068],[-1.01079965988602,3.675635413227284,-3.951488037405284],[0.08440096804307001,-0.017927356301587,5.489884297716496]],"pbc":[true,true,true],"a":5.490562779379472,"b":5.490561843122547,"c":5.49056231326307,"alpha":136.43676963266373,"beta":116.1273631644265,"gamma":80.50379441528625,"volume":99.185255220298},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Er","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.692486225750023,0.19827615548499,0.49420807026203306],"properties":{"magmom":-0.0},"label":"Er","xyz":[3.2287726467667563,0.7323454571081992,0.20307386568851088]},{"species":[{"element":"Er","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.295931914774882,0.8017238445147681,0.49420807026288505],"properties":{"magmom":-0.0},"label":"Er","xyz":[0.6789582331181016,2.9432899852197814,-1.1927081573073353]},{"species":[{"element":"Al","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.011922541149168001,0.9999999999999291,0.011922541149182],"properties":{"magmom":-0.0},"label":"Al","xyz":[-0.9514711405456799,3.675635413145565,-3.9157613012991592]},{"species":[{"element":"Ru","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.25789036553093303,0.5000000000014561,0.7578903655308691],"properties":{"magmom":0.0},"label":"Ru","xyz":[0.8201053915187194,1.8288540267062283,1.5419848136483139]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.741768952794984,0.49999999999884803,0.24176895279502703],"properties":{"magmom":0.0},"label":"Pt","xyz":[3.1435636007846206,1.8467813796922445,-2.497923142761884]}]} | false | -31.268445 | -31.268445 | -0.969401 | 0 | true | -0.015785 | 0 | null | null | 6.655715 | 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-3249722 | TbNdSbI2 | 156 | Trigonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.4111337429782,8e-16,0.0],[-2.2055668714891,3.8201531724688262,0.0],[-1e-16,-2e-16,11.62156167767866]],"pbc":[true,true,true],"a":4.4111337429782,"b":4.411133129450284,"c":11.62156167767866,"alpha":90.0,"beta":90.0,"gamma":120.00000460093587,"volume":195.837336408496},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Tb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.14829113249616202],"properties":{"magmom":0.0},"label":"Tb","xyz":[-2.2055668492274504e-6,2.54677005503026,1.723374542556965]},{"species":[{"element":"Nd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.8523743201302311],"properties":{"magmom":0.0},"label":"Nd","xyz":[2.205569077055947,1.2733831174385633,9.905920733862896]},{"species":[{"element":"Sb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.006845145304353001],"properties":{"magmom":0.0},"label":"Sb","xyz":[-6.845145304353e-19,-1.3690290608706e-18,0.07955127834721086]},{"species":[{"element":"I","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.67840287420288],"properties":{"magmom":-0.0},"label":"I","xyz":[-2.2055668492804615e-6,2.54677005503026,7.884100844863247]},{"species":[{"element":"I","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.31408752786637],"properties":{"magmom":0.0},"label":"I","xyz":[2.205569077055947,1.2733831174385635,3.6501875772886336]}]} | false | -28.628828 | -28.628828 | -1.535203 | 0 | true | -0.059243 | 0 | null | null | 4.260838 | false | true | false | NM | 0.000007 | 0 | 0.000007 | 0 | 0 | [
"Nd3+",
"I-",
"Tb2+",
"Sb3-"
] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249723 | AcLaBiN | 129 | Tetragonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.8921895829883555,0.0,0.0],[0.0,4.8921895829883555,0.0],[0.0,0.0,9.855738974013178]],"pbc":[true,true,true],"a":4.8921895829883555,"b":4.8921895829883555,"c":9.855738974013178,"alpha":90.0,"beta":90.0,"gamma":90.0,"volume":235.88251516471507},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Ac","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.5,0.6748489325149191],"properties":{"magmom":-0.0},"label":"Ac","xyz":[0.0,2.4460947914941777,6.651134925758477]},{"species":[{"element":"Ac","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.0,0.32515106748508005],"properties":{"magmom":-0.0},"label":"Ac","xyz":[2.4460947914941777,0.0,3.2046040482546925]},{"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":"La","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.5,0.0],"properties":{"magmom":-0.0},"label":"La","xyz":[2.4460947914941777,2.4460947914941777,0.0]},{"species":[{"element":"Bi","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.5,0.29709255892908704],"properties":{"magmom":-0.0},"label":"Bi","xyz":[0.0,2.4460947914941777,2.92806671192671]},{"species":[{"element":"Bi","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.0,0.7029074410709121],"properties":{"magmom":-0.0},"label":"Bi","xyz":[2.4460947914941777,0.0,6.9276722620864595]},{"species":[{"element":"N","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.5,0.9199316178147681],"properties":{"magmom":0.0},"label":"N","xyz":[0.0,2.4460947914941777,9.066605899124005]},{"species":[{"element":"N","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.0,0.080068382185231],"properties":{"magmom":0.0},"label":"N","xyz":[2.4460947914941777,0.0,0.7891330748891636]}]} | false | -42.95908 | -42.95908 | -1.455759 | 0 | true | -0.012877 | 0.1374 | 6.4536 | 6.3162 | 6.356705 | true | false | false | NM | 0 | 0 | 0 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249724 | LaAl2GaPt | 107 | Tetragonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[3.992589221187999,-0.058922026546306,-4.769236380955034],[-0.57191052376325,3.951856204418358,-4.769236376454748],[0.051774337417077,0.058922026579683005,6.219622501376895]],"pbc":[true,true,true],"a":6.220117052900531,"b":6.220117741818899,"c":6.220117076620425,"alpha":139.59039937707576,"beta":139.5904051394758,"gamma":58.47574376573855,"volume":100.19751724156622},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"La","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.9859255054589721,0.985925505456776,0.9999999999979251],"properties":{"magmom":-0.0},"label":"La","xyz":[3.4243087111894597,3.8970651236078933,-3.184601073281412]},{"species":[{"element":"Al","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7441336578933211,0.24413365789575803,0.500000000002302],"properties":{"magmom":0.0},"label":"Al","xyz":[2.8572845821813284,0.9503962608082873,-1.6034691847686164]},{"species":[{"element":"Al","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.24413365789332103,0.744133657895758,0.500000000002302],"properties":{"magmom":0.0},"label":"Al","xyz":[0.5750347097057037,2.955785376290619,-1.6034691825184733]},{"species":[{"element":"Ga","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.39641269370815,0.39641269370792204,0.9999999999997861],"properties":{"magmom":0.0},"label":"Ga","xyz":[1.4077747941734269,1.602130550457552,2.4384508217500347]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6293944850462261,0.629394485043782,0.9999999999976831],"properties":{"magmom":0.0},"label":"Pt","xyz":[2.2047306446926003,2.5091133287705216,0.21616035209675508]}]} | false | -22.231743 | -22.231743 | -1.003849 | 0 | true | -0.019602 | 0 | null | null | 7.943513 | 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-3249725 | Pr2Tc2Ge2C | 12 | Monoclinic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.886402583600031,0.010853037791463,-3.461017781270347],[3.122421314511709,3.758660892595055,-3.461017781010559],[0.09836025601989701,0.046294865443444,7.258075444307499]],"pbc":[true,true,true],"a":5.9879622643860975,"b":5.987962145113456,"c":7.258889523183986,"alpha":124.53169325543404,"beta":124.53169025079467,"gamma":40.47055656393776,"volume":134.61674254865818},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Pr","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.566917891993867,0.566917891993547,0.29822782613451404],"properties":{"magmom":-0.0},"label":"Pr","xyz":[4.569679326997461,2.1508113083374263,-1.7596657475976432]},{"species":[{"element":"Pr","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.43308210800613206,0.433082108006452,0.7017721738654851],"properties":{"magmom":-0.0},"label":"Pr","xyz":[3.537504827134168,1.664997487492532,2.0957056296242365]},{"species":[{"element":"Tc","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.19822869208634503,0.19822869208589103,0.08455872660771001],"properties":{"magmom":-0.0},"label":"Tc","xyz":[1.5958959044689867,0.7511404510904438,-0.7584124388912095]},{"species":[{"element":"Tc","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.801771307913654,0.8017713079141081,0.9154402733922921],"properties":{"magmom":-0.0},"label":"Tc","xyz":[6.511288151302387,3.0646682984446496,1.0944450628423796]},{"species":[{"element":"Ge","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.842177320515993,0.842177320513208,0.293805320163443],"properties":{"magmom":0.0},"label":"Ge","xyz":[6.773748617498783,3.188200819293694,-3.697120182663321]},{"species":[{"element":"Ge","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.157823679484003,0.15782367948678902,0.706194679836556],"properties":{"magmom":0.0},"label":"Ge","xyz":[1.3334435454567226,0.6276117460501873,4.033153142654369]},{"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]}]} | false | -21.850708 | -21.850708 | -0.646647 | 0 | true | -0.118925 | 0 | null | null | 6.806007 | false | true | false | NM | 0.000139 | 0.000001 | 0.000139 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249726 | LiPrPdPb | 216 | Cubic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.264451251000139,-3.0124854000000004e-9,2.462082282195655],[1.421484079031565,4.020563653701857,2.462082282195654],[-3.1187537e-9,-2.205292e-9,4.924163575177998]],"pbc":[true,true,true],"a":4.92416425766428,"b":4.924164725586503,"c":4.924163575177998,"alpha":60.00000111917166,"beta":59.999997975746425,"gamma":59.999997978166,"volume":84.42723533359698},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Li","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.25,0.25,0.25],"properties":{"magmom":0.0},"label":"Li","xyz":[1.4214838317282374,1.00514091212102,2.462082034892327]},{"species":[{"element":"Pr","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.5,0.5],"properties":{"magmom":-0.0},"label":"Pr","xyz":[2.842967663456475,2.01028182424204,4.924164069784654]},{"species":[{"element":"Pd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.75,0.75,0.75],"properties":{"magmom":-0.0},"label":"Pd","xyz":[4.264451495184713,3.01542273636306,7.38624610467698]},{"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]}]} | false | -28.462741 | -28.462741 | -0.703679 | 0 | true | -0.015663 | 0.365 | 6.7378 | 6.3728 | 6.52545 | false | false | false | NM | 0 | 0 | 0 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249727 | Yb2HoUN4 | 119 | Tetragonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.620532885899408,0.00018644340953700002,3.892469465548626],[2.829325589859108,3.418321507275545,7.923190132564797],[0.019041975258715,-0.000165772280432,5.976816880285672]],"pbc":[true,true,true],"a":6.836790803912774,"b":9.08113137760413,"c":5.976847216114024,"alpha":29.1359302239928,"beta":55.11313111285518,"gamma":41.158719173246794,"volume":114.58038316809369},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Yb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7500014968898511,0.5000038535134901,0.9999844456798421],"properties":{"magmom":-0.046},"label":"Yb","xyz":[5.649123454590809,1.7091479893200954,12.857707439124358]},{"species":[{"element":"Yb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.49998211870045806,0.9999985561038891,0.000039094287416200014],"properties":{"magmom":0.018000000000000002},"label":"Yb","xyz":[5.639488189556932,3.4184097834645835,9.869577482060173]},{"species":[{"element":"Ho","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.24997288421224,0.5000231815072951,0.9999866870536491],"properties":{"magmom":-0.033},"label":"Ho","xyz":[2.8387509210132955,1.7091208312060402,10.91152786802672]},{"species":[{"element":"U","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.9999891511822551,5.8526014755e-6,5.139831060299999e-6],"properties":{"magmom":0.975},"label":"U","xyz":[5.620488566550157,0.00020644660830212855,3.89250432796012]},{"species":[{"element":"N","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.49196806912142604,0.499993923217644,0.516083092104189],"properties":{"magmom":-0.03},"label":"N","xyz":[4.189595554514427,1.7091461531750698,8.961051742378807]},{"species":[{"element":"N","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.21847373235218,0.000013865691997200002,0.563009938219572],"properties":{"magmom":-0.013000000000000001},"label":"N","xyz":[1.2386988492617896,-5.201060643236294e-6,4.215519495238649]},{"species":[{"element":"N","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.008058176813804,0.499990928055687,0.483909862205308],"properties":{"magmom":-0.029},"label":"N","xyz":[1.4691429748512987,1.709051026367993,6.885130027703857]},{"species":[{"element":"N","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7815543707277961,0.9999708393084951,0.436981740618954],"properties":{"magmom":-0.013000000000000001},"label":"N","xyz":[7.230316123055787,3.418295102858574,13.576895454293602]}]} | false | -29.706205 | -29.706205 | -1.906562 | 0 | true | -0.0221 | 0 | null | null | 7.038813 | false | true | true | FM | 0.899338 | 0.007849 | 0.899338 | 1 | 1 | [
"N3-",
"Yb3+",
"Yb2+",
"U4+",
"Ho3+"
] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249728 | Ho2Si2Tc2C | 12 | Monoclinic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.768826820319646,0.060084814493420007,-3.478970944002187],[3.066399102756949,3.652740724411226,-3.478970944168417],[-0.07142645671549401,-0.033846681895221005,6.909382844149056]],"pbc":[true,true,true],"a":5.9032667444681985,"b":5.903266645470875,"c":6.909834920142127,"alpha":126.70474815420495,"beta":126.70474550505271,"gamma":39.355454774864135,"volume":117.99031199796504},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Ho","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.430862502425135,0.430862502425334,0.15918608600813403],"properties":{"magmom":-0.0},"label":"Ho","xyz":[3.364534950201711,1.5943293819458708,-1.8980386419747104]},{"species":[{"element":"Ho","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5691374975748641,0.569137497574665,0.840814913991863],"properties":{"magmom":-0.0},"label":"Ho","xyz":[4.399264444732926,2.0846494412168695,1.8494865073359927]},{"species":[{"element":"Si","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.855603846322722,0.8556038463229141,0.40148303747706304],"properties":{"magmom":-0.0},"label":"Si","xyz":[6.675172925794062,3.1631189431569364,-3.179241830648548]},{"species":[{"element":"Si","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.144396153677277,0.144396153677085,0.5985179625229401],"properties":{"magmom":-0.0},"label":"Si","xyz":[1.0886264691405734,0.515859880005803,3.1306896960098727]},{"species":[{"element":"Tc","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.20574262423382803,0.20574262423255602,0.31580539330038704],"properties":{"magmom":0.0},"label":"Tc","xyz":[1.589483082619706,0.7531975050041391,0.7504751432251684]},{"species":[{"element":"Tc","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7942573757661721,0.794257375767443,0.6841946066996131],"properties":{"magmom":0.0},"label":"Tc","xyz":[6.174316383741392,2.925781352005283,-0.7990341872467125]},{"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]}]} | false | -21.514529 | -21.514529 | -0.773561 | 0 | true | -0.122464 | 0 | null | null | 7.427264 | false | true | false | NM | 0.000015 | 0 | 0.000015 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249729 | CeLu(CuSi)2 | 164 | Trigonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.12944191155669,-3.8176175e-9,0.0],[-2.064720462266859,3.576201685662913,0.0],[0.0,0.0,7.62277286724683]],"pbc":[true,true,true],"a":4.12944191155669,"b":4.12944173997427,"c":7.62277286724683,"alpha":90.0,"beta":90.0,"gamma":119.99999352071688,"volume":112.57095335120675},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Ce","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.0],"properties":{"magmom":0.846},"label":"Ce","xyz":[0.0,0.0,0.0]},{"species":[{"element":"Lu","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.5],"properties":{"magmom":0.025},"label":"Lu","xyz":[0.0,0.0,3.811386433623415]},{"species":[{"element":"Cu","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.277087413630965],"properties":{"magmom":-0.001},"label":"Cu","xyz":[-1.735713113257209e-6,2.384135647903285,2.1121744184817195]},{"species":[{"element":"Cu","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.7229125863690341],"properties":{"magmom":-0.001},"label":"Cu","xyz":[2.064723185002942,1.192066033942007,5.510598448765104]},{"species":[{"element":"Si","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.26586179842747204],"properties":{"magmom":-0.019},"label":"Si","xyz":[2.064723185002942,1.192066033942007,2.0266041034903797]},{"species":[{"element":"Si","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.7341382015725271],"properties":{"magmom":-0.019},"label":"Si","xyz":[-1.735713113257209e-6,2.384135647903285,5.5961687637564435]}]} | false | -18.696803 | -18.696803 | -0.669865 | 0.005344 | false | null | 0 | null | null | 6.705397 | false | true | true | FM | 1.003036 | 0.00891 | 1.003036 | 1 | 1 | [
"Cu+",
"Lu3+",
"Ce3+",
"Si4-"
] | true | null | null | null | null | null | null | null | false | false | false | true | true |
mp-3249730 | Ce(DyOs)2 | 71 | Orthorhombic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.055007305969346,0.024094145413016,-2.798830051422234],[-0.9310511240958641,3.885007853839356,-4.174562194128761],[-0.017244866965245003,-0.024094166048596002,5.778084661249879]],"pbc":[true,true,true],"a":5.778159659267891,"b":5.778158160930071,"c":5.778160630066055,"alpha":136.45105456499195,"beta":119.14377863398364,"gamma":77.77278541363657,"volume":112.8469305172992},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"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":"Dy","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.694502707657704,0.19450270765618402,0.499999999998522],"properties":{"magmom":0.0},"label":"Dy","xyz":[3.3210018631396108,0.7603309130410708,0.13328363159272208]},{"species":[{"element":"Dy","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.305498292342299,0.8054972923438151,0.500000000001477],"properties":{"magmom":0.0},"label":"Dy","xyz":[0.7857145067759487,3.124676944256847,-1.3285940147239006]},{"species":[{"element":"Os","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7295130209434001,0.500000000001605,0.229513020944999],"properties":{"magmom":0.0},"label":"Os","xyz":[3.2182101671062413,1.9545509948962487,-2.8029183971118656]},{"species":[{"element":"Os","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.270486979056592,0.49999999999839406,0.7704869790550001],"properties":{"magmom":0.0},"label":"Os","xyz":[0.8885011478019562,1.9304568383075236,1.60761081281077]}]} | false | -40.5013 | -40.5013 | -0.346361 | 0 | true | -0.036053 | 0 | null | null | 5.947037 | 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-3249731 | PaNiH | 63 | Orthorhombic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[6.077366612260129,-0.111281406998867,0.0],[-4.989737438235651,3.471210260355427,0.0],[0.0,0.0,3.957036905161347]],"pbc":[true,true,true],"a":6.078385352324893,"b":6.078386329785832,"c":3.957036905161347,"alpha":90.0,"beta":90.0,"gamma":146.22383951174155,"volume":81.2797236528238},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Pa","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.137424436350144,0.8625755636487611,0.75],"properties":{"magmom":-0.0},"label":"Pa","xyz":[-3.4688469020624098,2.978888362236375,2.9677776788710104]},{"species":[{"element":"Pa","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8625755636498551,0.13742443635123802,0.25],"properties":{"magmom":-0.0},"label":"Pa","xyz":[4.556476076086887,0.3810404911201821,0.9892592262903368]},{"species":[{"element":"Ni","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.432539035955038,0.567460964045672,0.75],"properties":{"magmom":0.0},"label":"Ni","xyz":[-0.20278292142365306,1.9216427682435087,2.9677776788710104]},{"species":[{"element":"Ni","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.567460964044961,0.432539035954327,0.25],"properties":{"magmom":0.0},"label":"Ni","xyz":[1.2904120954481302,1.4382860851130481,0.9892592262903368]},{"species":[{"element":"H","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7603202139717311,0.23967978602653503,0.75],"properties":{"magmom":0.0},"label":"H","xyz":[3.424805481493364,0.7473694292746479,2.9677776788710104]},{"species":[{"element":"H","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.239679786028268,0.760320213973464,0.25],"properties":{"magmom":0.0},"label":"H","xyz":[-2.3371763074688867,2.612559424081909,0.9892592262903368]}]} | false | -31.150998 | -31.150998 | -0.386715 | 0 | true | -0.032608 | 0 | null | null | 10.405834 | false | true | false | NM | 0.000064 | 0.000001 | 0.000032 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249732 | Pr2ZnIrRh | 44 | Orthorhombic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.053280959116161,0.016310767881400002,-2.504867664507622],[-0.9875217179703101,3.806197960743673,-4.043257638058796],[-0.003924396435558,-0.01631076110389,5.640034184590469]],"pbc":[true,true,true],"a":5.6400599739373956,"b":5.640059785813722,"c":5.640059134899585,"alpha":135.94796978728456,"beta":116.40738115057228,"gamma":80.59226121408493,"volume":108.15930558587337},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Pr","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.699659359061193,0.19747424043588702,0.502185118626314],"properties":{"magmom":0.0},"label":"Pr","xyz":[3.3385944423516873,0.7548470111483326,0.281347900400261]},{"species":[{"element":"Pr","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.30471087818924003,0.802526759564486,0.502186118624756],"properties":{"magmom":0.0},"label":"Pr","xyz":[0.7453062970530655,3.0513547462910786,-1.175736000085203]},{"species":[{"element":"Zn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.9974839153480701,0.9999999999997081,0.9974839153475721],"properties":{"magmom":-0.0},"label":"Zn","xyz":[4.0491302361611,3.806197967503027,-0.9159794623400027]},{"species":[{"element":"Ir","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.742666665823385,0.5000000000000211,0.24266566582367902],"properties":{"magmom":-0.0},"label":"Ir","xyz":[3.2581901461164295,1.911254382268049,-2.513267885086212]},{"species":[{"element":"Rh","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.255479181578103,0.50000099999989,0.755480181577674],"properties":{"magmom":-0.0},"label":"Rh","xyz":[0.7942814334807257,1.8949473914381922,1.5993596467022435]}]} | false | -29.533906 | -29.533906 | -0.691086 | 0 | true | -0.014639 | 0 | null | null | 5.477301 | 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-3249733 | YbDyAlIr2 | 44 | Orthorhombic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.8922315708400514,-0.077169625948907,-2.593440888116473],[-0.9095742475641421,3.566848804228501,-4.137157598498666],[0.081529192330154,0.07716962553709701,5.536534014351281]],"pbc":[true,true,true],"a":5.537672844620524,"b":5.537671776015026,"c":5.5376719885143295,"alpha":137.76397902959235,"beta":117.09184208145905,"gamma":78.7085256360544,"volume":98.74722563295461},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Yb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.298622059034492,0.7986230590361241,0.500001000000317],"properties":{"magmom":0.0},"label":"Yb","xyz":[0.7752859746419427,2.864108040494721,-1.3102155713097225]},{"species":[{"element":"Dy","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6983574744138961,0.19835847441142102,0.49999899999940506],"properties":{"magmom":-0.0},"label":"Dy","xyz":[3.2768692385848825,0.6922074377827001,0.13647237233376677]},{"species":[{"element":"Al","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.00042263524157700003,0.000422635241662,0.9999999999999921],"properties":{"magmom":0.0},"label":"Al","xyz":[0.08321240367001717,0.078644486939938,5.533689426233537]},{"species":[{"element":"Ir","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7376906595573011,0.501297915655833,0.23639174390302703],"properties":{"magmom":-0.0},"label":"Ir","xyz":[3.172258687715852,1.7493688211122664,-2.6783146693136604]},{"species":[{"element":"Ir","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.26490517175273703,0.5012989156549701,0.763608256097263],"properties":{"magmom":-0.0},"label":"Ir","xyz":[0.9022652248922038,1.826542168028946,1.466774561603794]}]} | false | -37.071512 | -37.071512 | -1.079115 | 0 | true | -0.041452 | 0 | null | null | 5.841587 | false | true | false | NM | 0 | 0 | 0 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249734 | LaYbGaIr3 | 160 | Trigonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.707110250191193,0.015415066903183,2.162892678685781],[1.392606662433638,4.496417399319399,2.162892683139413],[0.020840988130582,0.015415067539089002,5.180209194194324]],"pbc":[true,true,true],"a":5.180273088482419,"b":5.180272917900639,"c":5.180274053243602,"alpha":65.09063551773666,"beta":65.09063038329289,"gamma":65.09063531929269,"volume":109.21611075382222},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"La","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.250660186333028,0.250660186333021,0.25066018633305004],"properties":{"magmom":-0.0},"label":"La","xyz":[1.5341801838654292,1.1348007103884108,2.3827743666927015]},{"species":[{"element":"Yb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.9984730950221771,0.998473095021921,0.998473095022909],"properties":{"magmom":0.0},"label":"Yb","xyz":[6.111212390429355,4.520334856965394,9.491479805616013]},{"species":[{"element":"Ga","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6248771921152491,0.624877192115448,0.624877192114723],"properties":{"magmom":-0.0},"label":"Ga","xyz":[3.8245970352031122,2.8289737269085653,5.940079186426026]},{"species":[{"element":"Ir","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.626655531418663,0.626655531418506,0.12267846369307701],"properties":{"magmom":-0.0},"label":"Ir","xyz":[3.824978083789807,2.829255868595404,3.346277430269813]},{"species":[{"element":"Ir","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.626655531418364,0.12267846369259401,0.626655531417974],"properties":{"magmom":-0.0},"label":"Ir","xyz":[3.1336396416460657,0.5709334529517684,4.866935757906342]},{"species":[{"element":"Ir","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.12267846369250102,0.626655531418506,0.626655531418272],"properties":{"magmom":-0.0},"label":"Ir","xyz":[1.463205842521235,2.8292558689158707,4.86693576015252]}]} | false | -40.00908 | -40.00908 | -0.876581 | 0.024276 | false | null | 0 | null | null | 8.090568 | false | true | false | NM | 0.000014 | 0 | 0.000014 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | true | true |
mp-3249735 | La2GaIrBr2 | 156 | Trigonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.369773308646252,1.0535133000000002e-9,0.0],[-2.184887152578268,3.784335668417336,0.0],[0.0,0.0,11.077185225932617]],"pbc":[true,true,true],"a":4.369773308646252,"b":4.3697744015861115,"c":11.077185225932617,"alpha":90.0,"beta":90.0,"gamma":119.99999925620267,"volume":183.17996704462774},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"La","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.17483805220697202],"properties":{"magmom":0.0},"label":"La","xyz":[0.0,0.0,1.9367134888379058]},{"species":[{"element":"La","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.826359269921752],"properties":{"magmom":0.0},"label":"La","xyz":[0.0,0.0,9.153734696089694]},{"species":[{"element":"Ga","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.9994650321995161],"properties":{"magmom":0.0},"label":"Ga","xyz":[-2.517056893099306e-6,2.522891707407936,11.071259288516746]},{"species":[{"element":"Ir","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6666659999999991,0.333331999999998,0.000395414433867],"properties":{"magmom":0.0},"label":"Ir","xyz":[2.1848864882387433,1.2614401777272215,0.004380078924952042]},{"species":[{"element":"Br","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.344739894954166],"properties":{"magmom":0.0},"label":"Br","xyz":[-2.517056893099306e-6,2.522891707407936,3.81874767117585]},{"species":[{"element":"Br","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6666659999999991,0.333331999999998,0.6542033362837211],"properties":{"magmom":0.0},"label":"Br","xyz":[2.1848864882387433,1.2614401777272215,7.246731531437862]}]} | false | -26.504264 | -26.504264 | -1.536022 | 0 | true | -0.021208 | 0 | null | null | 5.052649 | false | true | false | NM | 0.002934 | 0.000016 | 0.002934 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249736 | NdLu(AlZn)2 | 164 | Trigonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.450346224554546,-4.872178499999999e-9,0.0],[-2.225172620720475,3.854112844856494,0.0],[0.0,0.0,7.300869383165614]],"pbc":[true,true,true],"a":4.450346224554546,"b":4.450345943057893,"c":7.300869383165614,"alpha":90.0,"beta":90.0,"gamma":119.99999484755882,"volume":125.22550850085155},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Nd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.0],"properties":{"magmom":0.0},"label":"Nd","xyz":[0.0,0.0,0.0]},{"species":[{"element":"Lu","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.5],"properties":{"magmom":0.0},"label":"Lu","xyz":[0.0,0.0,3.650434691582807]},{"species":[{"element":"Al","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.276247437578632],"properties":{"magmom":-0.0},"label":"Al","xyz":[-1.897468394158653e-6,2.5694098463178707,2.0168464591957886]},{"species":[{"element":"Al","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.7237525624213671],"properties":{"magmom":-0.0},"label":"Al","xyz":[2.225175501302463,1.2847029936664407,5.284022923969819]},{"species":[{"element":"Zn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.7139497958180031],"properties":{"magmom":0.0},"label":"Zn","xyz":[-1.897468394158653e-6,2.5694098463178707,5.212454205405001]},{"species":[{"element":"Zn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.286050204181997],"properties":{"magmom":0.0},"label":"Zn","xyz":[2.225175501302463,1.2847029936664407,2.0884151777606146]}]} | false | -16.965755 | -16.965755 | -0.501873 | 0 | true | -0.00474 | 0 | null | null | 3.953051 | false | true | false | NM | 0.001114 | 0.000009 | 0.001114 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249737 | CeGdBrN2 | 156 | Trigonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[3.924583791331543,1.4893419e-9,0.0],[-1.9622923930893121,3.398787326412133,0.0],[0.0,0.0,7.387440409854933]],"pbc":[true,true,true],"a":3.924583791331543,"b":3.9245823632784056,"c":7.387440409854933,"alpha":90.0,"beta":90.0,"gamma":120.00002040053234,"volume":98.53977965890057},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Ce","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.32450075846693205],"properties":{"magmom":0.027},"label":"Ce","xyz":[-2.29390773551029e-6,2.2658593510336305,2.397230016127189]},{"species":[{"element":"Gd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.68966813782108],"properties":{"magmom":6.893},"label":"Gd","xyz":[1.9622936921499643,1.1329279768678409,5.094882270728848]},{"species":[{"element":"Br","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.9979332204492761],"properties":{"magmom":-0.006},"label":"Br","xyz":[0.0,0.0,7.3721721990836535]},{"species":[{"element":"N","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.369307522554912],"properties":{"magmom":-0.022},"label":"N","xyz":[1.9622936921499643,1.1329279768678409,2.728237315785569]},{"species":[{"element":"N","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.618590360707791],"properties":{"magmom":-0.053},"label":"N","xyz":[-2.29390773551029e-6,2.2658593510336305,4.569799427839475]}]} | false | -23.076659 | -23.076659 | -1.925856 | 0 | true | -0.039196 | 1.1558 | 5.184 | 4.0282 | 4.064808 | false | false | true | FM | 6.999998 | 0.071037 | 6.999998 | 1 | 1 | [
"Br-",
"N3-",
"Ce4+",
"Gd3+"
] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249738 | HoThUOs3 | 160 | Trigonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.082398476696292,-6.9465116000000016e-9,2.934324641756438],[1.6941328270210652,4.048655314326801,2.934324629452358],[4.3669021000000006e-9,-1.3893018500000002e-8,5.868647268320048]],"pbc":[true,true,true],"a":5.868648513852557,"b":5.2793898246698685,"c":5.868647268320048,"alpha":56.2336464951495,"beta":59.99999561903154,"gamma":56.23364802691884,"volume":120.7584484233316},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Ho","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7538560163483581,0.7384329509549371,0.7538560163490181],"properties":{"magmom":-0.0},"label":"Ho","xyz":[5.082400175196041,2.989660475447723,8.802975331346888]},{"species":[{"element":"Th","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5014655630850621,0.49560331074482605,0.5014655630850481],"properties":{"magmom":0.0},"label":"Th","xyz":[3.38826565404215,2.0065269673946906,5.868648266865081]},{"species":[{"element":"U","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.12253197635352801,0.632405070939398,0.12253197635315101],"properties":{"magmom":-0.0},"label":"U","xyz":[1.6941345211538614,2.5603901487125027,2.934327321372092]},{"species":[{"element":"Os","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.124053236164712,0.12785255578791702,0.124053236163739],"properties":{"magmom":0.0},"label":"Os","xyz":[0.8470871908333583,0.5176309268558029,1.4671980566932505]},{"species":[{"element":"Os","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6240399718836891,0.12785255578694402,0.12405323616422902],"properties":{"magmom":0.0},"label":"Os","xyz":[3.3882190148181905,0.5176309233786999,2.9343214558648296]},{"species":[{"element":"Os","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.12405323616464801,0.12785255578596302,0.6240399718848121],"properties":{"magmom":0.0},"label":"Os","xyz":[0.8470871930131159,0.5176309199015668,4.401443847473063]}]} | false | -57.956806 | -57.956806 | -0.414418 | 0 | true | -0.056359 | 0 | null | null | 8.168758 | false | true | false | NM | 0.000118 | 0.000001 | 0.000118 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249739 | PmTh(GaSi)2 | 183 | Hexagonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.198225665083352,5.4586882e-9,0.0],[-2.099113823179561,3.635770634620178,0.0],[0.0,0.0,8.305839340141489]],"pbc":[true,true,true],"a":4.198225665083352,"b":4.198226643504365,"c":8.305839340141489,"alpha":90.0,"beta":90.0,"gamma":120.00000782745018,"volume":126.77855093321827},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Pm","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.015589102297283],"properties":{"magmom":-0.0},"label":"Pm","xyz":[0.0,0.0,0.12948057913826322]},{"species":[{"element":"Th","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.48553738501207205],"properties":{"magmom":-0.0},"label":"Th","xyz":[0.0,0.0,4.032795513542693]},{"species":[{"element":"Ga","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.333333999999999,0.751450116015504],"properties":{"magmom":0.0},"label":"Ga","xyz":[2.0991125023283725,1.211925972359606,6.241423935755459]},{"species":[{"element":"Ga","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.333333999999999,0.666666999999996,0.751450116015504],"properties":{"magmom":0.0},"label":"Ga","xyz":[1.438687249792205e-6,2.423848303489882,6.241423935755459]},{"species":[{"element":"Si","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.333333999999999,0.24798564032980802],"properties":{"magmom":-0.0},"label":"Si","xyz":[2.0991125023283725,1.211925972359606,2.0597288872414974]},{"species":[{"element":"Si","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.333333999999999,0.666666999999996,0.24798564032980802],"properties":{"magmom":-0.0},"label":"Si","xyz":[1.438687249792205e-6,2.423848303489882,2.0597288872414974]}]} | false | -24.633854 | -24.633854 | -0.725694 | 0 | true | -0.108835 | 0 | null | null | 6.94575 | false | true | false | NM | 0.000332 | 0.000003 | 0.000332 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249740 | LiPrInAg | 216 | Cubic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.317409387770692,8.607554999999999e-10,2.492657389606657],[1.439136131988521,4.070491952820804,2.492657389606657],[-3.3257033e-9,-2.3516271e-9,4.985313790733888]],"pbc":[true,true,true],"a":4.985314903150169,"b":4.985314273577392,"c":4.985313790733888,"alpha":59.99999668310717,"beta":60.000000860596984,"gamma":60.00000016100984,"volume":87.61180574379357},"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":[4.317409137325131,3.0528689634974495,7.477971427460401]},{"species":[{"element":"Pr","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.5,0.5],"properties":{"magmom":0.0},"label":"Pr","xyz":[2.8782727582167547,2.0352459756649663,4.985314284973601]},{"species":[{"element":"In","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.0],"properties":{"magmom":-0.0},"label":"In","xyz":[0.0,0.0,0.0]},{"species":[{"element":"Ag","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.25,0.25,0.25],"properties":{"magmom":-0.0},"label":"Ag","xyz":[1.4391363791083773,1.0176229878324832,2.4926571424868005]}]} | false | -19.387637 | -19.387637 | -0.456355 | 0 | true | -0.049736 | 0 | null | null | 5.553953 | 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-3249741 | Pa2Al2CuMo | 12 | Monoclinic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.566415548920532,0.15503716563629003,2.282808445693214],[1.491922849529669,4.78407836046116,2.412350339700914],[0.002733176274668,0.155038158268085,5.105227841700437]],"pbc":[true,true,true],"a":5.107582783262549,"b":5.561714997142211,"c":5.107582169328753,"alpha":62.62604638824017,"beta":63.375668215690865,"gamma":62.62606614351685,"volume":109.13973827104343},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Pa","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.637431675083547,0.5811873058019971,0.6374316750851251],"properties":{"magmom":-0.0},"label":"Pa","xyz":[3.779606746989621,2.9780974461807403,6.111395740840727]},{"species":[{"element":"Pa","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.362568324916452,0.41881269419800304,0.362568324914875],"properties":{"magmom":-0.0},"label":"Pa","xyz":[2.281464827735244,2.1160562381847945,3.6889908862538356]},{"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":[2.283207774460266,0.07751858281814501,1.141404222846607]},{"species":[{"element":"Al","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.5],"properties":{"magmom":0.0},"label":"Al","xyz":[0.001366588137334,0.0775190791340425,2.5526139208502183]},{"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":"Mo","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.5,0.0],"properties":{"magmom":0.0},"label":"Mo","xyz":[0.7459614247648345,2.39203918023058,1.206175169850457]}]} | false | -34.271384 | -34.271384 | -0.255549 | 0 | true | -0.009484 | 0 | null | null | 10.693226 | false | true | false | NM | 0.000061 | 0.000001 | 0.000061 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249742 | ErNi3HgPt | 160 | Trigonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.338024467943311,1.9327988000000002e-9,2.42101202915766],[1.4934397333073561,4.07284968525389,2.421012026772986],[-0.001099105882438,-0.000767951337288,5.098962147093699]],"pbc":[true,true,true],"a":4.967872334289694,"b":4.967873391047048,"c":5.098962323382806,"alpha":60.84687166795717,"beta":60.846861599087674,"gamma":60.00000814377149,"volume":90.10520952796219},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Er","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.24974996526699303,0.24974996526725501,0.250750104198594],"properties":{"magmom":-0.088},"label":"Er","xyz":[1.456132380803912,1.0170015040357816,2.4878606294796897]},{"species":[{"element":"Ni","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6244845308328091,0.12061935057644702,0.6304105877581201],"properties":{"magmom":0.281},"label":"Ni","xyz":[2.8884740173760637,0.4907803605839044,5.018345183681978]},{"species":[{"element":"Ni","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.12061935057722901,0.6244845308326951,0.630410587757772],"properties":{"magmom":0.281},"label":"Ni","xyz":[1.4551868173074451,2.542947500427089,5.018345182480267]},{"species":[{"element":"Ni","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6244845308323831,0.624484530832589,0.630410587758],"properties":{"magmom":0.281},"label":"Ni","xyz":[3.640966297798812,2.542947501400527,6.238208844952593]},{"species":[{"element":"Hg","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.007343308685158,0.007343308685378001,0.977970073944149],"properties":{"magmom":-0.012},"label":"Hg","xyz":[0.0417473490554402,0.02915715905604403,5.022188865335834]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.623318313805434,0.6233183138056331,0.130046058583353],"properties":{"magmom":0.042},"label":"Pt","xyz":[3.634715498552638,2.5385819303564086,3.6812222000437673]}]} | false | -28.94226 | -28.94226 | -0.487908 | 0 | true | -0.003501 | 0 | null | null | 6.605456 | false | true | true | FiM | 0.712835 | 0.007911 | 0.712835 | 4 | 2 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249743 | Pa2Al2TcPt | 12 | Monoclinic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.534853634904566,0.10083833925026801,2.56260185912872],[1.486032352319461,4.285647803415472,2.562601858126822],[0.054081576614504,0.039400889983494,5.699271607875657]],"pbc":[true,true,true],"a":5.209797899062869,"b":5.2097982235721,"c":5.699664385505359,"alpha":59.984093621031526,"beta":59.98409189306955,"gamma":59.59202393713733,"volume":109.02228430430235},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Pa","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.640972134514967,0.6409721345151731,0.590649250832456],"properties":{"magmom":0.0},"label":"Pa","xyz":[3.89116338561374,2.8348874920365494,6.6513832719563]},{"species":[{"element":"Pa","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.359027865485032,0.359027865484833,0.40935074916754305],"properties":{"magmom":0.0},"label":"Pa","xyz":[2.1838041782247952,1.5909995406127104,4.173092053174907]},{"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":[0.7430161761597305,2.142823901707736,1.281300929063411]},{"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":[2.267426817452283,0.05041916962513401,1.28130092956436]},{"species":[{"element":"Tc","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.5],"properties":{"magmom":-0.0},"label":"Tc","xyz":[0.027040788307252,0.019700444991747,2.8496358039378284]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.0],"properties":{"magmom":-0.0},"label":"Pt","xyz":[0.0,0.0,0.0]}]} | false | -41.48509 | -41.48509 | -0.713654 | 0 | true | -0.058729 | 0 | null | null | 11.546211 | false | true | false | NM | 0 | 0 | 0 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249744 | DyTm(CuSi)2 | 164 | Trigonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.105520514486182,1.6067549300000002e-8,0.0],[-2.052761729362144,3.555485825193978,0.0],[0.0,0.0,7.403438867119669]],"pbc":[true,true,true],"a":4.105520514486182,"b":4.105521912094632,"c":7.403438867119669,"alpha":90.0,"beta":90.0,"gamma":120.00001223754212,"volume":108.06888575798722},"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":"Tm","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.5],"properties":{"magmom":-0.0},"label":"Tm","xyz":[0.0,0.0,3.7017194335598345]},{"species":[{"element":"Cu","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.256363320701474],"properties":{"magmom":0.0},"label":"Cu","xyz":[-3.0341734291618627e-6,2.370325073980424,1.897970172585157]},{"species":[{"element":"Cu","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.7436366792985251],"properties":{"magmom":0.0},"label":"Cu","xyz":[2.0527618192974653,1.1851607672811,5.505468694534505]},{"species":[{"element":"Si","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.253565475176877],"properties":{"magmom":0.0},"label":"Si","xyz":[2.0527618192974653,1.1851607672811,1.8772564942841587]},{"species":[{"element":"Si","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.746434524823122],"properties":{"magmom":0.0},"label":"Si","xyz":[-3.0341734291618627e-6,2.370325073980424,5.526182372835502]}]} | false | -18.457076 | -18.457076 | -0.733081 | 0 | true | -0.001383 | 0 | null | null | 5.811158 | false | true | false | NM | 0.000001 | 0 | 0.000001 | 0 | 0 | [
"Tm3+",
"Cu+",
"Dy3+",
"Si4-"
] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249745 | YbPmAgSn | 216 | Cubic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.577950350316045,-1.8100974000000002e-9,2.64308104376267],[1.525983448398771,4.316132272973536,2.643081043762671],[-5.1197283000000024e-9,-3.6201941e-9,5.286161105303487]],"pbc":[true,true,true],"a":5.286161822518903,"b":5.2861612429520415,"c":5.286161105303487,"alpha":59.99999477032188,"beta":59.99999839713504,"gamma":59.99999530461027,"volume":104.44946486937823},"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":0.001},"label":"Yb","xyz":[0.0,0.0,0.0]},{"species":[{"element":"Pm","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.5,0.5],"properties":{"magmom":0.001},"label":"Pm","xyz":[3.051966896797544,2.1580661337716225,5.286161596414414]},{"species":[{"element":"Ag","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.75,0.75,0.75],"properties":{"magmom":0.0},"label":"Ag","xyz":[4.577950345196316,3.2370992006574335,7.929242394621621]},{"species":[{"element":"Sn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.25,0.25,0.25],"properties":{"magmom":-0.0},"label":"Sn","xyz":[1.525983448398772,1.0790330668858112,2.643080798207207]}]} | false | -28.581391 | -28.581391 | -0.538378 | 0.051824 | false | null | 0 | null | null | 5.58791 | false | true | false | NM | 0.002114 | 0.00002 | 0.002114 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | true | true |
mp-3249746 | HoGaHgPt3 | 160 | Trigonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.654937639256957,0.009532937179652,2.241151561018771],[1.412298786579219,4.43553121029719,2.241151564976837],[0.013012110139394,0.009532941682452,5.166335871705606]],"pbc":[true,true,true],"a":5.166361932900102,"b":5.16636093563852,"c":5.166361053126225,"alpha":64.14675985767263,"beta":64.14676338010057,"gamma":64.14675414613562,"volume":106.40205691047849},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Ho","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.24591972262386702,0.24591972262336903,0.24591972262327003],"properties":{"magmom":0.0},"label":"Ho","xyz":[1.4952530334505745,1.0954732805649245,2.3727906260083085]},{"species":[{"element":"Ga","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6274218392490171,0.627421839250061,0.627421839250288],"properties":{"magmom":0.0},"label":"Ga","xyz":[3.8148807195344263,2.794911498798285,6.053766826196394]},{"species":[{"element":"Hg","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.997528497598899,0.9975284975973221,0.997528497596974],"properties":{"magmom":-0.0},"label":"Hg","xyz":[6.0652211871173645,4.443587541750487,9.62479236323756]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6265677113437741,0.6265677113451951,0.12599751783923802],"properties":{"magmom":0.0},"label":"Pt","xyz":[3.8031739350991742,2.7863347966568273,3.4594119073660194]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6265677113449251,0.125997517838243,0.62656771134538],"properties":{"magmom":0.0},"label":"Pt","xyz":[3.102732732707338,0.5708119868749162,4.923671981827133]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.12599751783951502,0.626567711345806,0.626567711344847],"properties":{"magmom":0.0},"label":"Pt","xyz":[1.4795643747573157,2.7863347989135177,4.923671983810494]}]} | false | -42.259155 | -42.259155 | -0.899975 | 0 | true | -0.016511 | 0 | null | null | 7.575578 | false | true | false | NM | 0.000003 | 0 | 0.000003 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249747 | HfPaN2 | 166 | Trigonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[3.1648808513687112,0.037339825769967,5.210442257161711],[1.486764557265976,2.79417231904971,5.210442256860859],[0.061341447003224005,0.037339823792869,6.096015760111546]],"pbc":[true,true,true],"a":6.096439418313389,"b":6.096439642067099,"c":6.096438729544461,"alpha":30.6978499654023,"beta":30.69785112201275,"gamma":30.697852435361487,"volume":52.36238276689493},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Hf","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.0],"properties":{"magmom":0.0},"label":"Hf","xyz":[0.0,0.0,0.0]},{"species":[{"element":"Pa","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.5,0.5],"properties":{"magmom":-0.0},"label":"Pa","xyz":[2.3564934278189558,1.4344259843062728,8.258450137067058]},{"species":[{"element":"N","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.263124560467325,0.26312456046388605,0.263124560476313],"properties":{"magmom":0.0},"label":"N","xyz":[1.240102594873444,0.7548654132777228,4.346002124951052]},{"species":[{"element":"N","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7368754395326741,0.73687543953612,0.7368754395236861],"properties":{"magmom":0.0},"label":"N","xyz":[3.4728842607644737,2.11398655533484,12.170898149183085]}]} | false | -36.991948 | -36.991948 | -1.925714 | 0 | true | -0.020602 | 0 | null | null | 10.810489 | false | true | false | NM | 0 | 0 | 0 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249748 | Ac(MgAu)2 | 139 | Tetragonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.103787980446651,-0.01847644164816,-5.810652913153692],[-0.428771466698787,4.081369311873797,-5.810652915735678],[0.01671232396034,0.01847644536576,7.11368335051554]],"pbc":[true,true,true],"a":7.113726480860497,"b":7.113726712329322,"c":7.1137269762205175,"alpha":144.6337685049252,"beta":144.63377300132467,"gamma":50.88063009773336,"volume":119.97600591980971},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Ac","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.0],"properties":{"magmom":0.0},"label":"Ac","xyz":[0.0,0.0,0.0]},{"species":[{"element":"Mg","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.75,0.25,0.499999000000002],"properties":{"magmom":-0.0},"label":"Mg","xyz":[2.9790042639281373,1.0157232009387638,-2.2538183522247546]},{"species":[{"element":"Mg","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.25,0.75,0.499999000000002],"properties":{"magmom":-0.0},"label":"Mg","xyz":[0.7127245403554185,3.0656460776997423,-2.2538183535157477]},{"species":[{"element":"Au","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.386093619280416,0.38609361928053604,0.9999999999995091],"properties":{"magmom":-0.0},"label":"Au","xyz":[1.4356127506684895,1.5871334583802543,2.6267713222708586]},{"species":[{"element":"Au","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.613905380719586,0.6139053807194651,4.902999999999998e-13],"properties":{"magmom":-0.0},"label":"Au","xyz":[2.2561124120232074,2.4942317943182766,-7.134382179338882]}]} | false | -36.354563 | -36.354563 | -0.725361 | 0 | true | -0.073458 | 0 | null | null | 6.033064 | false | true | false | NM | 0 | 0 | 0 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249749 | PmCrGe2Pt | 119 | Tetragonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.037163304723029,0.22562803737077802,-4.60676537635389],[-0.40464948797988304,4.023165358332261,-4.606765375814433],[-0.19290069463926102,-0.225628040831675,6.122397788666499]],"pbc":[true,true,true],"a":6.129590752490981,"b":6.129591172044823,"c":6.129589984123757,"alpha":140.6025907252695,"beta":140.6025903842497,"gamma":56.93947549934379,"volume":92.00847257435109},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Pm","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.0],"properties":{"magmom":0.021},"label":"Pm","xyz":[0.0,0.0,0.0]},{"species":[{"element":"Cr","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.75,0.25,0.5],"properties":{"magmom":3.19},"label":"Cr","xyz":[2.8302597592276704,1.0621983471953114,-1.5455664818857757]},{"species":[{"element":"Ge","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.38472120518718306,0.384721205186963,0.999999999998841],"properties":{"magmom":-0.074},"label":"Ge","xyz":[1.2046043987975688,1.4089728749539185,2.5777571336570464]},{"species":[{"element":"Ge","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6152777948128191,0.615277794813039,1.158199999999999e-12],"properties":{"magmom":-0.074},"label":"Ge","xyz":[2.235005090792507,2.614188231124059,-5.668880883628142]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.25,0.75,0.5],"properties":{"magmom":-0.042},"label":"Pt","xyz":[0.6093533628762143,2.960967007676053,-1.5455664816160484]}]} | false | -25.553509 | -25.553509 | -0.784384 | 0 | true | -0.332709 | 0 | null | null | 7.515018 | false | true | true | FM | 3.199 | 0.034769 | 3.199 | 1 | 1 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249750 | La2RhCl | 166 | Trigonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[3.949073913472065,-0.035352646670981,6.979332474542959],[1.8104063148574951,3.509823697093228,6.979332473098825],[-0.058603005820438,-0.035352639173110004,8.018903400439713]],"pbc":[true,true,true],"a":8.019196741189367,"b":8.019196666724469,"c":8.01919546257424,"alpha":29.920639695372614,"beta":29.920642402604162,"gamma":29.92063332174556,"volume":113.63737059042555},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"La","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.23487920537596801,0.23487920537598203,0.23487920537765203],"properties":{"magmom":-0.0},"label":"La","xyz":[1.3390175119688248,0.8077773996280485,5.16207378970701]},{"species":[{"element":"La","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.765120794624031,0.765120794624017,0.7651207946223471],"properties":{"magmom":-0.0},"label":"La","xyz":[4.361859710540292,2.6313410116210854,16.815494558374468]},{"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":[2.8504386112545608,1.7195592056245685,10.988784174040749]},{"species":[{"element":"Cl","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.0],"properties":{"magmom":0.0},"label":"Cl","xyz":[0.0,0.0,0.0]}]} | false | -23.87929 | -23.87929 | -1.434733 | 0 | true | -0.094147 | 0 | null | null | 8.020998 | false | true | false | NM | 0.000006 | 0 | 0.000006 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249751 | SmYNiOs3 | 160 | Trigonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.586574476775983,0.016976832217792,2.763475470763193],[1.569518476835471,4.3097066414162795,2.763475471484963],[0.024154899811765003,0.016976831303956,5.354706109944666]],"pbc":[true,true,true],"a":5.354787607492465,"b":5.3547881625414995,"c":5.3547875024005185,"alpha":58.67166848322067,"beta":58.67166549577985,"gamma":58.67167029818624,"volume":105.27458382199836},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Sm","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.24827727611114603,0.24827727611191303,0.248277276111061],"properties":{"magmom":0.0},"label":"Sm","xyz":[1.534415102740876,1.0784321488654276,2.701668172495741]},{"species":[{"element":"Y","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.001996385248503,0.0019963852478630003,0.001996385248567],"properties":{"magmom":0.0},"label":"Y","xyz":[0.0123381556456635,0.008671619354529196,0.02172397961684047]},{"species":[{"element":"Ni","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6252993360031881,0.625299336002974,0.6252993360032091],"properties":{"magmom":0.0},"label":"Ni","xyz":[3.864504879080332,2.716087904500232,6.804292929350102]},{"species":[{"element":"Os","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6248304485874591,0.624830448587495,0.12476810546224401],"properties":{"magmom":-0.0},"label":"Os","xyz":[3.8495280828383414,2.705561742805424,4.121503773210793]},{"species":[{"element":"Os","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6248304485874521,0.124768105462251,0.6248304485874451],"properties":{"magmom":-0.0},"label":"Os","xyz":[3.076749951531425,0.558929215557071,5.417280637856624]},{"species":[{"element":"Os","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.12476810546224401,0.624830448587488,0.6248304485874591],"properties":{"magmom":-0.0},"label":"Os","xyz":[1.568033858861251,2.705561742348419,5.41728063821771]}]} | false | -37.17063 | -37.17063 | -0.339975 | 0 | true | -0.011025 | 0 | null | null | 6.173847 | 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-3249752 | CeAlZnSi | 63 | Orthorhombic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[9.215054608490766,0.0041015806005580005,0.0],[-8.245937006098547,4.113608407568245,0.0],[0.0,0.0,4.125575283008377]],"pbc":[true,true,true],"a":9.215055521288535,"b":9.215055682922467,"c":4.125575283008377,"alpha":90.0,"beta":90.0,"gamma":153.46150023087282,"volume":156.52823517431335},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Ce","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.9030307486409791,0.096969251358231,0.75],"properties":{"magmom":0.918},"label":"Ce","xyz":[7.521875323644412,0.40259738106315074,3.094181462256283]},{"species":[{"element":"Ce","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.09696925135902001,0.903030748641768,0.25],"properties":{"magmom":0.918},"label":"Ce","xyz":[-6.552757721252194,3.7151126071056484,1.0313938207520943]},{"species":[{"element":"Al","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.24879403755188803,0.751205962448104,0.75],"properties":{"magmom":-0.008},"label":"Al","xyz":[-3.901746402645146,3.0911876117398736,3.094181462256283]},{"species":[{"element":"Al","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7512059624481111,0.24879403755189602,0.25],"properties":{"magmom":-0.008},"label":"Al","xyz":[4.870864005037356,1.0265223764289297,1.0313938207520943]},{"species":[{"element":"Zn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6670429895574941,0.33295701044269005,0.75],"properties":{"magmom":0.007},"label":"Zn","xyz":[3.4012950411339253,1.372390688101545,3.094181462256283]},{"species":[{"element":"Zn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33295701044250503,0.667042989557309,0.25],"properties":{"magmom":0.007},"label":"Zn","xyz":[-2.432177438741707,2.745319300067254,1.0313938207520943]},{"species":[{"element":"Si","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.533256457107086,0.466743542893212,0.75],"properties":{"magmom":-0.008},"label":"Si","xyz":[1.06524951987143,1.9221873565632994,3.094181462256283]},{"species":[{"element":"Si","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.46674354289291303,0.533256457106787,0.25],"properties":{"magmom":-0.008},"label":"Si","xyz":[-0.09613191747921256,2.1955226316055,1.0313938207520943]}]} | false | -14.407594 | -14.407594 | -0.59332 | 0 | true | -0.045067 | 0 | null | null | 7.196712 | false | true | true | FM | 2.065431 | 0.013195 | 1.032715 | 2 | 1 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249753 | LiHoHgPb | 216 | Cubic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.427185831942876,5.6328911000000016e-9,2.556037091836361],[1.475727954577471,4.173991361015648,2.556037091836361],[0.0,0.0,5.112074183672722]],"pbc":[true,true,true],"a":5.112073943655258,"b":5.112074186922364,"c":5.112074183672722,"alpha":60.00000002102812,"beta":59.9999984468703,"gamma":60.000007832404755,"volume":94.46619984753075},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Li","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.0],"properties":{"magmom":0.0},"label":"Li","xyz":[0.0,0.0,0.0]},{"species":[{"element":"Ho","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.5,0.5],"properties":{"magmom":0.0},"label":"Ho","xyz":[2.9514568932601737,2.0869956833242695,5.112074183672722]},{"species":[{"element":"Hg","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.75,0.75,0.75],"properties":{"magmom":-0.0},"label":"Hg","xyz":[4.4271853398902605,3.130493524986404,7.668111275509084]},{"species":[{"element":"Pb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.25,0.25,0.25],"properties":{"magmom":-0.0},"label":"Pb","xyz":[1.4757284466300868,1.0434978416621348,2.556037091836361]}]} | false | -35.750401 | -35.750401 | -0.520154 | 0 | true | -0.043824 | 0 | null | null | 4.762204 | false | true | false | NM | 0 | 0 | 0 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249754 | Tm2Tc2C3 | 12 | Monoclinic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.535042613599318,-0.012423405037705,2.181116879616626],[4.5743845478261465,3.116385020612445,2.181116879076034],[0.08305665476801301,0.025501432893983003,5.605730427122559]],"pbc":[true,true,true],"a":5.949295917829408,"b":5.949295792636186,"c":5.606403691543142,"alpha":67.64481011230055,"beta":67.64481070056532,"gamma":31.932575085476103,"volume":96.39339363753075},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Tm","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.609998567531654,0.6099985675321661,0.175687161182217],"properties":{"magmom":0.0},"label":"Tm","xyz":[6.1813280749309545,1.8978924135266484,3.6458112091358017]},{"species":[{"element":"Tm","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.390001432468345,0.39000143246783303,0.8243128388177821],"properties":{"magmom":0.0},"label":"Tm","xyz":[4.011155741262513,1.2315706349420716,6.3221529766794085]},{"species":[{"element":"Tc","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.842865546858881,0.8428655468588171,0.32206761540273005],"properties":{"magmom":-0.0},"label":"Tc","xyz":[8.547637711589068,2.6244354902216975,5.482200773800511]},{"species":[{"element":"Tc","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.157134453141118,0.15713445314118202,0.677932384597269],"properties":{"magmom":-0.0},"label":"Tc","xyz":[1.6448461046043994,0.5050275582470225,4.485763412014698]},{"species":[{"element":"C","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.754617002014448,0.754617002014313,0.731597397442804],"properties":{"magmom":0.0},"label":"C","xyz":[7.689509649106282,2.3609589906488124,7.39295355231938]},{"species":[{"element":"C","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.24538299798555102,0.24538299798568602,0.268402602557195],"properties":{"magmom":0.0},"label":"C","xyz":[2.502974167087186,0.7685040578199075,2.5750106334958294]},{"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]}]} | false | -22.2368 | -22.2368 | -0.520639 | 0 | true | -0.146082 | 0 | null | null | 7.131371 | 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-3249755 | TbHoCdIn | 216 | Cubic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.5661134933954335,9.377597e-10,2.6362472103680172],[1.522037500778252,4.304972664074203,2.6362472103680172],[-3.623226e-9,-2.5620076e-9,5.272493433298583]],"pbc":[true,true,true],"a":5.272493887027371,"b":5.272493446783467,"c":5.272493433298583,"alpha":59.99999392877443,"beta":59.999996690874276,"gamma":59.99999858588637,"volume":103.64137062554386},"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":0.001},"label":"Tb","xyz":[1.5220377476376148,1.076243165612489,2.636246963508654]},{"species":[{"element":"Ho","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.75,0.75,0.75],"properties":{"magmom":0.001},"label":"Ho","xyz":[4.566113242912845,3.2287294968374662,7.908740890525963]},{"species":[{"element":"Cd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.5,0.5],"properties":{"magmom":0.0},"label":"Cd","xyz":[3.0440754952752296,2.152486331224978,5.272493927017308]},{"species":[{"element":"In","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.0],"properties":{"magmom":-0.0},"label":"In","xyz":[0.0,0.0,0.0]}]} | false | -27.209661 | -27.209661 | -0.511822 | 0 | true | -0.01689 | 0 | null | null | 4.600836 | false | true | false | NM | 0.002559 | 0.000025 | 0.002559 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249756 | Ho2ZnNiIr | 44 | Orthorhombic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[3.819111314821159,8.124586000000001e-10,1.610738015556941],[1.18795918423394,4.5684294724228485,2.516296151307376],[-0.006683056447058001,-0.05932236803871001,5.348830840419062]],"pbc":[true,true,true],"a":4.1448869936049295,"b":5.349162662416594,"c":5.349163968884417,"alpha":62.57215442516506,"beta":67.20512924964613,"gamma":67.20512225254674,"volume":93.82862754865404},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Ho","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.202721464613958,0.291311349443638,0.30324472132955504],"properties":{"magmom":0.0},"label":"Ho","xyz":[1.1182552307175189,1.3128461596497822,2.681561514702076]},{"species":[{"element":"Ho","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.79727853538656,0.696755278667446,0.708688650558386],"properties":{"magmom":0.0},"label":"Ho","xyz":[3.867876101760253,3.1410362618250294,6.828105182410347]},{"species":[{"element":"Zn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.999999999999673,0.9903938246416071,0.009606175359046001],"properties":{"magmom":0.0},"label":"Zn","xyz":[4.995594556199321,4.523974477540669,4.154243991799621]},{"species":[{"element":"Ni","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.49999999999965805,0.7415110170272281,0.25848898297341805],"properties":{"magmom":-0.0},"label":"Ni","xyz":[2.7887129838332645,3.3722066061377576,4.0538441701123284]},{"species":[{"element":"Ir","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.500000000000156,0.28002953022007604,0.7199704697796101],"properties":{"magmom":0.0},"label":"Ir","xyz":[2.237407706403078,1.2365848062270803,5.36100648987209]}]} | false | -28.516085 | -28.516085 | -0.713213 | 0 | true | -0.029031 | 0 | null | null | 4.875211 | 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-3249757 | NaLiPrPt3 | 160 | Trigonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.669045235788347,-1.2863296500000001e-8,2.8993016509528102],[1.434344186215377,4.443268565763623,2.899302633677464],[-0.011843648218561001,-0.008621988287128,5.228244321094945]],"pbc":[true,true,true],"a":5.49599249244898,"b":5.495992590395484,"c":5.228264845218411,"alpha":58.291100535344405,"beta":58.29111394314654,"gamma":59.99999181552816,"volume":108.69766037940884},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Na","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.252514670177205,0.25251467017705603,0.24245398946878502],"properties":{"magmom":-0.0},"label":"Na","xyz":[1.5383238270996435,1.1199000576863436,2.7318413419880985]},{"species":[{"element":"Li","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.621758497882368,0.621758497882119,0.134724506353556],"properties":{"magmom":-0.0},"label":"Li","xyz":[3.793238609356142,2.761478388022394,4.309704125080559]},{"species":[{"element":"Pr","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.005248872309636001,0.005248872310176,0.984254383069675],"properties":{"magmom":-0.0},"label":"Pr","xyz":[0.020378749062201152,0.014835919511613175,5.176358522262536]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.622846918591704,0.12478312244707701,0.6295220403692451],"properties":{"magmom":0.0},"label":"Pt","xyz":[3.0796265465038504,0.5490171858365133,5.458900167477714]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.12478312244692001,0.6228469185914131,0.629522040369977],"properties":{"magmom":0.0},"label":"Pt","xyz":[1.4685390623593686,2.762048401396279,5.458900656939814]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.622846918592159,0.622846918592159,0.629522040368776],"properties":{"magmom":0.0},"label":"Pt","xyz":[3.7940214568710395,2.7620483949928616,6.902937843379413]}]} | false | -32.488884 | -32.488884 | -0.852552 | 0 | true | -0.045141 | 0 | null | null | 6.189395 | false | true | false | NM | 0.000068 | 0.000001 | 0.000068 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249758 | LiSmNi4 | 216 | Cubic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.224426736292534,1.5014413000000001e-9,2.43897413515463],[1.408141916746026,3.982827909091211,2.4389741351546292],[-5.801123e-9,-4.1020139e-9,4.877947290055927]],"pbc":[true,true,true],"a":4.877947937632839,"b":4.8779479951190865,"c":4.877947290055927,"alpha":59.99999820194112,"beta":59.9999978120989,"gamma":60.00000272987957,"volume":82.07226665277304},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Li","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.0],"properties":{"magmom":0.0},"label":"Li","xyz":[0.0,0.0,0.0]},{"species":[{"element":"Sm","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.25,0.25,0.25],"properties":{"magmom":0.0},"label":"Sm","xyz":[1.4081421618093592,0.9957069766226596,2.4389738900912965]},{"species":[{"element":"Ni","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6260324397828471,0.6260324397828471,0.12190368065145601],"properties":{"magmom":-0.001},"label":"Ni","xyz":[3.526170695398936,2.4933794736034867,3.6483935854778373]},{"species":[{"element":"Ni","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6260324397828181,0.12190368065150602,0.6260324397828471],"properties":{"magmom":-0.001},"label":"Ni","xyz":[2.816285855304298,0.4855213798917176,4.877950095613054]},{"species":[{"element":"Ni","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.12190368065150602,0.6260324397828181,0.6260324397828471],"properties":{"magmom":-0.001},"label":"Ni","xyz":[1.3965156838659663,2.493379470778508,4.877950095613053]},{"species":[{"element":"Ni","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6260324397828321,0.6260324397828251,0.626032439782854],"properties":{"magmom":-0.001},"label":"Ni","xyz":[3.5261706924743286,2.493379471535456,6.107507099922007]}]} | false | -13.593061 | -13.593061 | -0.251978 | 0 | true | -0.009149 | 0 | null | null | 5.635508 | false | true | false | NM | 0.001473 | 0.000018 | 0.001473 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249759 | YbCeFeIr3 | 160 | Trigonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.625748504900294,-7.1197597000000006e-9,2.928826303560479],[1.385670503492797,4.413328949539541,2.928826308347],[0.009367783273328,0.006877483109886001,5.102538227837241]],"pbc":[true,true,true],"a":5.474995228035824,"b":5.474995772195562,"c":5.102551461933313,"alpha":57.55460324413565,"beta":57.55460028316196,"gamma":60.00000243731977,"volume":103.98171024692184},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Yb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.750406059592528,0.750406059592378,0.748781821222117],"properties":{"magmom":-0.23500000000000001},"label":"Yb","xyz":[4.5180196764678895,3.3169385156946705,8.216305882058375]},{"species":[{"element":"Ce","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.49899419905280906,0.498994199053065,0.5030174028420971],"properties":{"magmom":-0.47000000000000003},"label":"Ce","xyz":[3.0043753712768333,2.2056850344724945,5.489600200678322]},{"species":[{"element":"Fe","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.125225389838796,0.125225389838718,0.6243228304834361],"properties":{"magmom":2.865},"label":"Fe","xyz":[0.7586308097788247,0.5569546070227803,3.9191579409194093]},{"species":[{"element":"Ir","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.12429005864226601,0.626793234230973,0.12462564848443201],"properties":{"magmom":0.11800000000000001},"label":"Ir","xyz":[1.444630915466443,2.7671018359146666,2.835699642892941]},{"species":[{"element":"Ir","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.12429005864239401,0.12429005864252901,0.12462564848367201],"properties":{"magmom":0.11800000000000001},"label":"Ir","xyz":[0.7483270871426594,0.5493900238546302,1.363955122198091]},{"species":[{"element":"Ir","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6267932342312,0.12429005864232301,0.12462564848424701],"properties":{"magmom":0.11800000000000001},"label":"Ir","xyz":[3.0727804003299486,0.5493900202760232,2.8356996404875865]}]} | false | -40.60002 | -40.60002 | -0.789777 | 0.018563 | false | null | 0 | null | null | 8.099466 | false | true | true | FiM | 2.399296 | 0.023074 | 2.399296 | 3 | 3 | [] | true | null | null | null | null | null | null | null | false | false | false | true | true |
mp-3249760 | LiPmPtPb | 216 | Cubic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.219390771440836,0.0,2.436066786551652],[1.4064635904802791,3.9780803175200763,2.436066786551652],[0.0,0.0,4.872133573103305]],"pbc":[true,true,true],"a":4.872132989837222,"b":4.8721334374714536,"c":4.872133573103305,"alpha":59.99999907911686,"beta":59.99999603986855,"gamma":60.00000039916037,"volume":81.77912928496718},"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":[4.219390771440837,2.983560238140057,7.308200359654957]},{"species":[{"element":"Pm","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.0],"properties":{"magmom":0.0},"label":"Pm","xyz":[0.0,0.0,0.0]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.25,0.25,0.25],"properties":{"magmom":-0.0},"label":"Pt","xyz":[1.406463590480279,0.9945200793800191,2.4360667865516525]},{"species":[{"element":"Pb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.5,0.5],"properties":{"magmom":-0.0},"label":"Pb","xyz":[2.812927180960558,1.9890401587600381,4.872133573103305]}]} | false | -35.760923 | -35.760923 | -0.835881 | 0 | true | -0.356643 | 0.4502 | 6.9972 | 6.547 | 6.707156 | false | false | false | NM | 0 | 0 | 0 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249761 | AcNdRh4 | 216 | Cubic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.720727661745814,-1.0734717000000001e-9,2.725512781815493],[1.573576217166337,4.450743554678056,2.725512781815492],[4.147576e-9,2.9327782e-9,5.451026549236609]],"pbc":[true,true,true],"a":5.451026470327559,"b":5.4510256121742255,"c":5.451026549236609,"alpha":60.00000025099112,"beta":60.000005458722676,"gamma":59.99999500334908,"volume":114.53014626706424},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Ac","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.75,0.75,0.75],"properties":{"magmom":-0.0},"label":"Ac","xyz":[4.720727912294795,3.3380576674030213,8.176539084650695]},{"species":[{"element":"Nd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.5,0.5],"properties":{"magmom":-0.0},"label":"Nd","xyz":[3.1471519415298634,2.225371778268681,5.451026056433797]},{"species":[{"element":"Rh","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.12552986197802302,0.12552986197829302,0.6234114140654791],"properties":{"magmom":0.0},"label":"Rh","xyz":[0.7901230997536484,0.5587012258130882,4.082498655810071]},{"species":[{"element":"Rh","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.125529861978499,0.6234114140647621,0.12552986197829302],"properties":{"magmom":0.0},"label":"Rh","xyz":[1.5735776670200243,2.7746443332948707,2.7255156310507953]},{"species":[{"element":"Rh","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.125529861978172,0.125529861978449,0.125529861978215],"properties":{"magmom":0.0},"label":"Rh","xyz":[0.7901230976895955,0.5587012243536064,1.3685330970080969]},{"species":[{"element":"Rh","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6234114140653021,0.125529861978499,0.12552986197802302],"properties":{"magmom":0.0},"label":"Rh","xyz":[3.140486312900329,0.5587012238193672,2.725515631050796]}]} | false | -33.080265 | -33.080265 | -0.646865 | 0 | true | -0.280471 | 0 | null | null | 8.999733 | false | true | false | NM | 0.000003 | 0 | 0.000003 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249762 | CaPrCdIn | 216 | Cubic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.721400499927552,-2.0300037e-9,2.725901266414841],[1.573800496148039,4.451378843470172,2.725901266414841],[0.0,0.0,5.451802532829683]],"pbc":[true,true,true],"a":5.451803407585253,"b":5.451803309365782,"c":5.451802532829683,"alpha":60.0000047117633,"beta":60.00000530772635,"gamma":59.9999994996935,"volume":114.57912890363288},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Ca","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.75,0.75,0.75],"properties":{"magmom":0.0},"label":"Ca","xyz":[4.721400747056693,3.3385341310801264,8.177703799244524]},{"species":[{"element":"Pr","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.25,0.25,0.25],"properties":{"magmom":-0.0},"label":"Pr","xyz":[1.5738002490188978,1.112844710360042,2.7259012664148417]},{"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":"In","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.5,0.5],"properties":{"magmom":0.0},"label":"In","xyz":[3.1476004980377956,2.225689420720084,5.451802532829683]}]} | false | -20.309021 | -20.309021 | -0.527564 | 0 | true | -0.021753 | 0 | null | null | 4.291466 | 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-3249763 | Ca(Nd2Ir)2 | 5 | Monoclinic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[8.777968962744062,-0.062747587379246,1.006899832893181],[6.254205467591642,6.159673984348745,1.006899837422246],[-0.013813505513567002,-0.005603194938203,7.368057204661085]],"pbc":[true,true,true],"a":8.835752579384526,"b":8.835752198138927,"c":7.368072283839662,"alpha":83.56361143607909,"beta":83.56360871545178,"gamma":44.66443163343624,"volume":401.3789099334894},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Ca","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.015913959418689002,0.798537159573498,0.914373897595631],"properties":{"magmom":0.0},"label":"Ca","xyz":[5.121277002455392,4.912606589606812,7.557229883163051]},{"species":[{"element":"Ca","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.20146284042579002,0.9840860405822831,0.5856261024046241],"properties":{"magmom":0.0},"label":"Ca","xyz":[7.915021306599715,6.045726498139492,5.508655597690697]},{"species":[{"element":"Nd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.9776386791203321,0.20481748434820402,0.08285194222073501],"properties":{"magmom":-0.0},"label":"Nd","xyz":[9.861508136804604,1.1998002258526834,1.801072764127263]},{"species":[{"element":"Nd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7951825156520651,0.022361320878999003,0.41714805777858205],"properties":{"magmom":-0.0},"label":"Nd","xyz":[7.11417746041848,0.0855053002048918,3.896755505013114]},{"species":[{"element":"Nd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.35327364525925703,0.212084800805378,0.821435339403038],"properties":{"magmom":-0.0},"label":"Nd","xyz":[4.416100112641411,1.2796034987361786,6.621641896479553]},{"species":[{"element":"Nd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7879151991952751,0.6467263547397331,0.678564660596741],"properties":{"magmom":-0.0},"label":"Nd","xyz":[10.951681310978815,3.930381594402591,6.44424358018606]},{"species":[{"element":"Nd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6630368824524311,0.7780867032691171,0.18273856574709402],"properties":{"magmom":0.0},"label":"Nd","xyz":[10.683907028982603,4.750132539170507,2.7974953070877633]},{"species":[{"element":"Nd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.22191329673017102,0.336963117548755,0.31726143425368003],"properties":{"magmom":0.0},"label":"Nd","xyz":[4.051002110696498,2.0598807472104244,2.900332966085455]},{"species":[{"element":"Nd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5584638506217771,0.441536149378002,0.7499999999996371],"properties":{"magmom":-0.0},"label":"Nd","xyz":[7.653276018016585,2.68047407700451,6.532942738385844]},{"species":[{"element":"Nd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.425093651434409,0.574906348565669,0.250000000000127],"properties":{"magmom":0.0},"label":"Nd","xyz":[7.323587930724945,3.513161278924588,2.8489141366632547]},{"species":[{"element":"Ir","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.173136475028165,0.5914155898033541,0.5671542919843301],"properties":{"magmom":-0.0},"label":"Ir","xyz":[5.2107868305438485,3.628885450296598,4.948652616205153]},{"species":[{"element":"Ir","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.40858441019616204,0.8268635249723381,0.9328457080152931],"properties":{"magmom":-0.0},"label":"Ir","xyz":[8.745029780866117,5.0623451410491525,8.117232862993557]},{"species":[{"element":"Ir","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.816300954615755,0.39791636014970705,0.424094220677588],"properties":{"magmom":0.0},"label":"Ir","xyz":[9.64825689131231,2.3974378534927605,4.34734569125417]},{"species":[{"element":"Ir","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.602083639849709,0.18369904538495502,0.07590577932288001],"properties":{"magmom":0.0},"label":"Ir","xyz":[6.4329145527134814,1.0933216201278404,1.3504825795004836]}]} | false | -33.340841 | -33.340841 | -0.565265 | 0 | true | -0.001271 | 0 | null | null | 4.21313 | false | true | false | NM | 0.000001 | 0 | 0 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.