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-3249266 | Sr7ErBi6 | 146 | Trigonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[8.262281980269664,-2.0828042661e-6,-2.870246037769855],[-4.131139186373446,7.155347053678128,-2.870246037769855],[0.0,0.0,8.610738113309568]],"pbc":[true,true,true],"a":8.746634543573128,"b":8.746634481507963,"c":8.610738113309568,"alpha":109.15678947704593,"beta":109.15678933580887,"gamma":109.78381355315096,"volume":509.0624149544841},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Sr","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.14671480818172,0.502445891155041,0.9998728376357771],"properties":{"magmom":-0.0},"label":"Sr","xyz":[-0.8634747941043716,3.5951744213306753,6.746392226346128]},{"species":[{"element":"Sr","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.35573108297334205,0.35328519181828705,0.35315802945406405],"properties":{"magmom":-0.0},"label":"Sr","xyz":[1.479680216786472,2.5278774154668753,1.0059001508063963]},{"species":[{"element":"Sr","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.9975541088449371,0.14426891702667102,0.49742694648072205],"properties":{"magmom":-0.0},"label":"Sr","xyz":[7.646078361348947,1.0322920926741712,1.0059001508063818]},{"species":[{"element":"Sr","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8626345532029731,0.8586162241524561,0.861540566655378],"properties":{"magmom":0.0},"label":"Sr","xyz":[3.5802667948346807,6.143695273030588,2.4780869697490817]},{"species":[{"element":"Sr","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.9959816709494901,0.637365446797012,0.49890601345241203],"properties":{"magmom":0.0},"label":"Sr","xyz":[5.596036039261286,4.56056889742037,-0.3921590680206902]},{"species":[{"element":"Sr","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.0,0.14442266473015],"properties":{"magmom":0.0},"label":"Sr","xyz":[4.131140990134832,-1.04140213305e-6,-0.1915372752672955]},{"species":[{"element":"Sr","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.641383775847536,0.504018329050531,0.0029243425029290004],"properties":{"magmom":0.0},"label":"Sr","xyz":[3.2171237438313005,3.6064247298946257,-3.262405105790587]},{"species":[{"element":"Er","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.0,0.6418142261956561],"properties":{"magmom":-0.0},"label":"Er","xyz":[4.131140990134832,-1.04140213305e-6,4.091371200282296]},{"species":[{"element":"Bi","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8619677076958391,0.241855613312026,0.10618628437259701],"properties":{"magmom":-0.0},"label":"Bi","xyz":[6.122681057271987,1.730559054817703,-2.2539022275629383]},{"species":[{"element":"Bi","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.14082197499391202,0.8790405540845391,0.26835345662048105],"properties":{"magmom":-0.0},"label":"Bi","xyz":[-2.467928012971881,6.289839945427786,-0.616535046397026]},{"species":[{"element":"Bi","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.37988790561616503,0.63803229230416,0.744217576676746],"properties":{"magmom":-0.0},"label":"Bi","xyz":[0.5029407921854313,4.565341691657923,3.486581237238623]},{"species":[{"element":"Bi","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.258144386687995,0.12011209438381301,0.864330671060578],"properties":{"magmom":-0.0},"label":"Bi","xyz":[1.6366619345736293,0.8594431829960958,6.356835885746629]},{"species":[{"element":"Bi","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.738218579090627,0.359178025006109,0.627531481626583],"properties":{"magmom":-0.0},"label":"Bi","xyz":[4.615555649533806,2.5700418854085854,2.2537109913728894]},{"species":[{"element":"Bi","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.62095944591546,0.7617814209093581,0.38931390253594605],"properties":{"magmom":-0.0},"label":"Bi","xyz":[1.9835169610956476,5.45080915231353,-0.616526435658832]}]} | false | -36.127599 | -36.127599 | -1.05912 | 0 | true | -0.002815 | 0 | null | null | 3.075532 | false | true | false | NM | 0.000028 | 0 | 0.000028 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249267 | TmCuAuO4 | 15 | Monoclinic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.102067621499866,0.026779987484488003,-3.752422051094827],[-1.290450894338824,4.935753265474312,-3.753074479266426],[0.009105989155313,0.010150190028020001,6.372517334729703]],"pbc":[true,true,true],"a":6.333441594554234,"b":6.333442338512379,"c":6.372531924347391,"alpha":126.27269269592301,"beta":126.2506182769405,"gamma":79.0327269353793,"volume":161.1076877144317},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Tm","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.74963739405878,0.24963739405927002,0.49999999999909006],"properties":{"magmom":0.014},"label":"Tm","xyz":[3.507108872246287,1.2572989579573388,-0.5636049531467978]},{"species":[{"element":"Tm","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.00036260594121900004,0.000362605940729,9.095000000000001e-13],"properties":{"magmom":0.014},"label":"Tm","xyz":[0.001382114871558917,0.001799444038610424,-0.0027215376260727705]},{"species":[{"element":"Cu","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.375,0.625,0.25],"properties":{"magmom":0.62},"label":"Cu","xyz":[1.1090200463895128,3.097425833735133,-2.159700485019651]},{"species":[{"element":"Cu","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.375,0.125,0.75],"properties":{"magmom":0.62},"label":"Cu","xyz":[1.7587984881365815,0.634624296011987,2.9030954219784135]},{"species":[{"element":"Au","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.375,0.625,0.75],"properties":{"magmom":0.016},"label":"Au","xyz":[1.1135730409671694,3.102500928749143,1.0265581823452006]},{"species":[{"element":"Au","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.875,0.625,0.25],"properties":{"magmom":0.016},"label":"Au","xyz":[3.660053857139446,3.110815827477377,-4.035911510567065]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.14215985479050602,0.601899466554883,0.8579837648692461],"properties":{"magmom":0.083},"label":"O","xyz":[-0.043599721855712564,2.9833429949219754,2.6750991136383835]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7439157016863901,0.284177089918699,0.14201623513692102],"properties":{"magmom":0.083},"label":"O","xyz":[3.4300848331603295,1.4239915444935851,-2.9530225467066824]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.350987486963767,0.012777871266777001,0.967785875574598],"properties":{"magmom":0.088},"label":"O","xyz":[1.7830853250731307,0.08229107088242242,4.802222780113799]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.705008004303692,0.8667993886083211,0.46778587557162105],"properties":{"magmom":0.088},"label":"O","xyz":[2.482696118524115,4.30193613389585,-2.917676644555294]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.044991995696307005,0.38320061139167905,0.032214124428378],"properties":{"magmom":0.088},"label":"O","xyz":[-0.2646560257450944,1.8929155335744163,-1.4017243254840095]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.39901251303623303,0.23722212873322202,0.5322141244254011],"properties":{"magmom":0.088},"label":"O","xyz":[1.7345116512000338,1.1869575211415468,1.0039680638430257]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.006084298313609001,0.9658229100813001,0.35798376486307804],"properties":{"magmom":0.083},"label":"O","xyz":[-1.2120447403813073,4.770860122976676,-1.366378423332618]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.607840145209493,0.6481005334451161,0.642016235130753],"properties":{"magmom":0.083},"label":"O","xyz":[2.2707458037900476,3.221658862576306,-0.6219827489479806]}]} | false | -19.000614 | -19.000614 | -1.79448 | 0 | true | -0.035121 | 1.0141 | 5.7176 | 4.7035 | 5.21055 | true | false | true | FM | 2 | 0.012414 | 1 | 2 | 1 | [
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"Cu2+"
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mp-3249268 | LiEr2Si3Ag | 12 | Monoclinic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[9.170684051477222,-0.013906122909967001,-0.046671992316605],[-8.201525342467432,4.103245267330437,0.046671992137272],[0.001167213291218,-0.00027626907318500005,6.767419489608683]],"pbc":[true,true,true],"a":9.170813356902423,"b":9.170813374060952,"c":6.767419595905585,"alpha":89.7182940576325,"beta":90.28170459891734,"gamma":153.50830647013797,"volume":253.8834593454944},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Li","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.187778779327942,0.8122212206723131,0.06094281744427801],"properties":{"magmom":-0.0},"label":"Li","xyz":[-4.939321934978665,3.3301147683481087,0.4415695832029995]},{"species":[{"element":"Li","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.812221220672057,0.18777877932768602,0.9390571825557211],"properties":{"magmom":-0.0},"label":"Li","xyz":[5.909647857279671,0.7589481069991728,6.3258499062263445]},{"species":[{"element":"Er","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.552666450066858,0.44733354993338903,0.25195126350213504],"properties":{"magmom":0.0},"label":"Er","xyz":[1.399806033963555,1.8277642177574018,1.7001437946699447]},{"species":[{"element":"Er","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.44733354993314106,0.5526664500666101,0.7480487364978641],"properties":{"magmom":0.0},"label":"Er","xyz":[-0.429480111662549,2.2612986575898795,5.067275694759399]},{"species":[{"element":"Er","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.344636736249235,0.655363263750629,0.23828059589651202],"properties":{"magmom":0.0},"label":"Er","xyz":[-2.214145671220361,2.6842578199940395,1.6270469746522083]},{"species":[{"element":"Er","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.655363263750764,0.34463673624937,0.761719404103487],"properties":{"magmom":0.0},"label":"Er","xyz":[3.184471593521368,1.4048050553532416,5.140372514777135]},{"species":[{"element":"Si","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.9411172951033391,0.058882704896341,0.071029893945521],"properties":{"magmom":0.0},"label":"Si","xyz":[8.147844279369489,0.2285032640521545,0.4395134426056128]},{"species":[{"element":"Si","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.058882704896660004,0.941117295103659,0.928970106054478],"properties":{"magmom":0.0},"label":"Si","xyz":[-7.17751835706849,3.860559611295131,6.32790604682373]},{"species":[{"element":"Si","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.058449812386179,0.941550187613394,0.578035239267919],"properties":{"magmom":-0.0},"label":"Si","xyz":[-7.185448272240384,3.862438847743817,3.9530229976608777]},{"species":[{"element":"Si","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.94155018761382,0.058449812386605,0.42196476073208006],"properties":{"magmom":-0.0},"label":"Si","xyz":[8.15577419454139,0.22662402760346448,2.8143964917684654]},{"species":[{"element":"Si","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.721920009726829,0.278079990273198,0.23620117938659702],"properties":{"magmom":0.0},"label":"Si","xyz":[4.340095929341363,1.1309260405604535,1.5777575668218027]},{"species":[{"element":"Si","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.27807999027317004,0.721920009726801,0.7637988206134021],"properties":{"magmom":0.0},"label":"Si","xyz":[-3.369770007040356,2.9581368347868278,5.189661922607541]},{"species":[{"element":"Ag","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8120296646560231,0.18797033534387,0.562604728451582],"properties":{"magmom":0.0},"label":"Ag","xyz":[5.905880705749287,0.759840774288105,3.778256112012765]},{"species":[{"element":"Ag","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.187970335343976,0.81202966465613,0.437395271548418],"properties":{"magmom":0.0},"label":"Ag","xyz":[-4.935554783448287,3.3292221010591803,2.989163377416585]}]} | false | -17.456018 | -17.456018 | -0.611054 | 0 | true | -0.020026 | 0 | null | null | 6.372894 | 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-3249269 | Nd4DyOs2 | 15 | Monoclinic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[8.689087013948136,-0.011631628729025002,0.9597547480932881],[6.165129349590357,6.123032913947385,0.95975475113032],[-0.034386103183800004,-0.014147334713558002,7.322253006768027]],"pbc":[true,true,true],"a":8.741939007293327,"b":8.741938065714068,"c":7.322347413657391,"alpha":83.96586742232566,"beta":83.9658680191087,"gamma":44.59448708290126,"volume":390.3317796957526},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Nd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.20611465301908502,0.9751141960257851,0.5855892130534031],"properties":{"magmom":0.0},"label":"Nd","xyz":[7.782517172949955,5.959974341401979,5.42152237542824]},{"species":[{"element":"Nd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.024885803974129,0.793885346980687,0.9144107869471441],"properties":{"magmom":0.0},"label":"Nd","xyz":[5.079197745351276,4.847760171562206,7.481366636286589]},{"species":[{"element":"Nd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.210610447031534,0.35920236705860004,0.314542764740871],"properties":{"magmom":0.0},"label":"Nd","xyz":[4.03372565593472,2.1925082319667757,2.850042259819284]},{"species":[{"element":"Nd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6407976329421311,0.7893895529671291,0.185457235259527],"properties":{"magmom":0.0},"label":"Nd","xyz":[10.428257940596017,4.823380969004855,2.7305937432419487]},{"species":[{"element":"Nd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.789389552968465,0.640797632941399,0.685457235259129],"properties":{"magmom":0.0},"label":"Nd","xyz":[10.78610460441996,3.90474571853802,6.3917202461723495]},{"species":[{"element":"Nd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.359202367057868,0.21061044703287002,0.814542764740473],"properties":{"magmom":0.0},"label":"Nd","xyz":[4.391572319758661,1.2738729814999408,6.511168762749685]},{"species":[{"element":"Nd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.9751141960258701,0.206114653019312,0.08558921305285501],"properties":{"magmom":0.0},"label":"Nd","xyz":[9.740632515003401,1.2494937789425888,1.760395869705037]},{"species":[{"element":"Nd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7938853469809141,0.024885803974214003,0.41441078694659605],"properties":{"magmom":0.0},"label":"Nd","xyz":[7.037313087404724,0.1372796091028173,3.820240130563387]},{"species":[{"element":"Dy","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5661386840638151,0.433861315936837,0.7499999999996441],"properties":{"magmom":-0.0},"label":"Dy","xyz":[7.568249842938833,2.639351501552446,6.451444504484979]},{"species":[{"element":"Dy","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.43386131593618404,0.566138684063162,0.250000000000355],"properties":{"magmom":-0.0},"label":"Dy","xyz":[7.2515804174158465,3.4579024489523507,2.7903180015066478]},{"species":[{"element":"Os","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.17955876716948102,0.607072561679807,0.57009566261243],"properties":{"magmom":-0.0},"label":"Os","xyz":[5.283279251116827,3.70697138124733,4.929357834415012]},{"species":[{"element":"Os","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.392927438320604,0.8204412328311641,0.9299043373868011],"properties":{"magmom":-0.0},"label":"Os","xyz":[8.440331239380527,5.005862618592195,7.973531176254394]},{"species":[{"element":"Os","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8204412328305181,0.39292743832019206,0.429904337387562],"properties":{"magmom":-0.0},"label":"Os","xyz":[9.536551009237852,2.390282569257466,4.312404671576563]},{"species":[{"element":"Os","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.607072561679395,0.179558767168835,0.07009566261319801],"properties":{"magmom":-0.0},"label":"Os","xyz":[6.379499020974152,1.0913913319126014,1.2682313297372336]}]} | false | -36.720327 | -36.720327 | -0.20257 | 0 | true | -0.004942 | 0 | null | null | 4.080126 | false | true | false | NM | 0.000005 | 0 | 0.000003 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249270 | NdY2As4Pd7 | 12 | Monoclinic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[6.712419765282271,-0.010371599476665001,4.531742011610508],[5.457076706349997,3.9085809712525292,4.531742013787988],[0.035170604518385,0.011265569099220002,9.625328460697189]],"pbc":[true,true,true],"a":8.09897353590092,"b":8.098973828044903,"c":9.625399309159938,"alpha":55.76642493744022,"beta":55.766421822170045,"gamma":29.43470927607611,"volume":252.38653850467398},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"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":[6.102333538075326,1.9547374704375422,9.344406243047843]},{"species":[{"element":"Y","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8215854709563921,0.8215854709556321,0.17202685056255201],"properties":{"magmom":0.0},"label":"Y","xyz":[10.004331778271679,3.204650162966058,9.10224173223315]},{"species":[{"element":"Y","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.17841452904360702,0.17841452904436703,0.827973149437447],"properties":{"magmom":0.0},"label":"Y","xyz":[2.2003352978789623,0.7048247779090229,9.586570753862517]},{"species":[{"element":"As","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.392488388066823,0.39248838806685105,0.319706162807087],"properties":{"magmom":-0.0},"label":"As","xyz":[4.787630312750171,1.533603584543951,6.634589063325527]},{"species":[{"element":"As","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.607511611933176,0.6075116119331481,0.680293837192913],"properties":{"magmom":-0.0},"label":"As","xyz":[7.417036763400472,2.3758713563311296,12.05422342277015]},{"species":[{"element":"As","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8379717113264321,0.8379717113261901,0.757277623436387],"properties":{"magmom":0.0},"label":"As","xyz":[10.224327696117852,3.2751203417689263,14.883989080853244]},{"species":[{"element":"As","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.162028288673568,0.162028288673809,0.242722376563612],"properties":{"magmom":0.0},"label":"As","xyz":[1.9803393800327969,0.6343545991061542,3.8048234052424266]},{"species":[{"element":"Pd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.665308866070148,0.6653088660691111,0.07206226577763801],"properties":{"magmom":0.0},"label":"Pd","xyz":[8.099008371631037,2.5943250792707357,6.723639257309899]},{"species":[{"element":"Pd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.011997430628447001,0.011997430628568001,0.20468687038628203],"properties":{"magmom":0.0},"label":"Pd","xyz":[0.15320165067066083,0.04907441059555558,2.078916879907421]},{"species":[{"element":"Pd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.9880025693715521,0.988002569371431,0.79531312961371],"properties":{"magmom":0.0},"label":"Pd","xyz":[12.05146542547998,3.8604005302795246,16.60989560618818]},{"species":[{"element":"Pd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.5,0.0],"properties":{"magmom":-0.0},"label":"Pd","xyz":[6.084748235816134,1.9491046858879322,4.531742012699247]},{"species":[{"element":"Pd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.19307032083965903,0.193070320839126,0.47520341185436604],"properties":{"magmom":-0.0},"label":"Pd","xyz":[2.366281779496349,0.7579819709792789,6.323878693448633]},{"species":[{"element":"Pd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8069296791603401,0.8069296791608731,0.524796588145633],"properties":{"magmom":-0.0},"label":"Pd","xyz":[9.838385296654293,3.1514929698958016,12.364933792647033]},{"species":[{"element":"Pd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.334691133929851,0.334691133930888,0.927937734222361],"properties":{"magmom":0.0},"label":"Pd","xyz":[4.1056587045196045,1.315149861604345,11.965173228785767]}]} | false | -21.684447 | -21.684447 | -0.99884 | 0 | true | -0.016364 | 0 | null | null | 7.611169 | false | true | false | NM | 0 | 0 | 0 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249271 | BaPrB12 | 123 | Tetragonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.200169338445068,0.0,0.0],[0.0,4.200169338445068,0.0],[0.0,0.0,8.415271611876381]],"pbc":[true,true,true],"a":4.200169338445068,"b":4.200169338445068,"c":8.415271611876381,"alpha":90.0,"beta":90.0,"gamma":90.0,"volume":148.45736171849205},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Ba","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.5],"properties":{"magmom":0.0},"label":"Ba","xyz":[0.0,0.0,4.207635805938191]},{"species":[{"element":"Pr","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.0],"properties":{"magmom":0.0},"label":"Pr","xyz":[0.0,0.0,0.0]},{"species":[{"element":"B","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.20224704591394202,0.5,0.24538622056127202],"properties":{"magmom":-0.0},"label":"B","xyz":[0.8494718410388312,2.100084669222534,2.064991695834909]},{"species":[{"element":"B","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.20224704591394202,0.5,0.7546137794387271],"properties":{"magmom":-0.0},"label":"B","xyz":[0.8494718410388312,2.100084669222534,6.350279916041465]},{"species":[{"element":"B","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.5,0.39585500201278],"properties":{"magmom":-0.0},"label":"B","xyz":[2.100084669222534,2.100084669222534,3.331227360857415]},{"species":[{"element":"B","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.5,0.9013737165819721],"properties":{"magmom":-0.0},"label":"B","xyz":[2.100084669222534,2.100084669222534,7.585304648843777]},{"species":[{"element":"B","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.20224704591394202,0.24538622056127202],"properties":{"magmom":-0.0},"label":"B","xyz":[2.100084669222534,0.8494718410388312,2.064991695834909]},{"species":[{"element":"B","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.20224704591394202,0.7546137794387271],"properties":{"magmom":-0.0},"label":"B","xyz":[2.100084669222534,0.8494718410388312,6.350279916041465]},{"species":[{"element":"B","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.5,0.09862628341802801],"properties":{"magmom":-0.0},"label":"B","xyz":[2.100084669222534,2.100084669222534,0.8299669630326054]},{"species":[{"element":"B","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.5,0.6041449979872191],"properties":{"magmom":-0.0},"label":"B","xyz":[2.100084669222534,2.100084669222534,5.084044251018958]},{"species":[{"element":"B","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.7977529540860641,0.24538622056127202],"properties":{"magmom":-0.0},"label":"B","xyz":[2.100084669222534,3.3506974974062627,2.064991695834909]},{"species":[{"element":"B","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.7977529540860641,0.7546137794387271],"properties":{"magmom":-0.0},"label":"B","xyz":[2.100084669222534,3.3506974974062627,6.350279916041465]},{"species":[{"element":"B","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7977529540860641,0.5,0.24538622056127202],"properties":{"magmom":-0.0},"label":"B","xyz":[3.3506974974062627,2.100084669222534,2.064991695834909]},{"species":[{"element":"B","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7977529540860641,0.5,0.7546137794387271],"properties":{"magmom":-0.0},"label":"B","xyz":[3.3506974974062627,2.100084669222534,6.350279916041465]}]} | false | -10.810945 | -10.810945 | -0.52096 | 0 | true | -0.012235 | 0 | null | null | 5.846175 | false | true | false | NM | 0.000002 | 0 | 0.000002 | 0 | 0 | [
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mp-3249272 | Tb4ErRu2 | 15 | Monoclinic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.891395649703445,-1.8625516e-9,-2.370218534832128],[-0.34127933400096205,7.154015940654866,-0.8482816999866891],[-0.004166396453566,0.017788012312076003,8.496555336766232]],"pbc":[true,true,true],"a":6.350313268194447,"b":7.2122116930586815,"c":8.496574978364643,"alpha":96.63346197246649,"beta":111.94388945433037,"gamma":89.9999982347374,"volume":358.13813133254894},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Tb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7929264059491811,0.5864619003497681,0.8143606591225491],"properties":{"magmom":0.0},"label":"Tb","xyz":[4.467902902413593,4.210043639643062,4.542366642375462]},{"species":[{"element":"Tb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.9785657468267881,0.913538099650232,0.18563934087748601],"properties":{"magmom":0.0},"label":"Tb","xyz":[5.452572862479532,6.538768280351818,-1.5170573904082356]},{"species":[{"element":"Tb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.20707359405081802,0.413538099650232,0.18563934087745002],"properties":{"magmom":0.0},"label":"Tb","xyz":[1.0780470168353176,2.961760311461329,0.7356884595719472]},{"species":[{"element":"Tb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.021434253173211,0.086461900349768,0.8143606591225131],"properties":{"magmom":0.0},"label":"Tb","xyz":[0.09337705676937948,0.6330356707525719,6.795112492355645]},{"species":[{"element":"Tb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.208800315336262,0.685840399583014,0.568630527676667],"properties":{"magmom":0.0},"label":"Tb","xyz":[0.9936929744142152,4.916627957800419,3.7547125070127527]},{"species":[{"element":"Tb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.640168787659604,0.8141596004170061,0.43136947232326806],"properties":{"magmom":0.0},"label":"Tb","xyz":[3.49183450825325,5.8321839639128505,1.4571779763522688]},{"species":[{"element":"Tb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.791199684663737,0.31415960041698504,0.43136947232333206],"properties":{"magmom":0.0},"label":"Tb","xyz":[4.552256944834696,2.2551759933039652,1.523342594934657]},{"species":[{"element":"Tb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.359831212340395,0.185840399582993,0.5686305276767311],"properties":{"magmom":0.0},"label":"Tb","xyz":[2.0541154109956614,1.3396199871915337,3.8208771255951417]},{"species":[{"element":"Er","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.42377594187724504,0.749999999999985,0.999999999999943],"properties":{"magmom":-0.0},"label":"Er","xyz":[2.2365058434702996,5.383299967013813,6.855902469722355]},{"species":[{"element":"Er","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.576224058122754,0.25000000000001404,5.679999999999999e-14],"properties":{"magmom":-0.0},"label":"Er","xyz":[3.3094440757786123,1.7885039840905712,-1.5778473677749387]},{"species":[{"element":"Ru","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6051284615300431,0.9256838148858291,0.7808394847423721],"properties":{"magmom":-0.0},"label":"Ru","xyz":[3.245881143070094,6.636246348940699,4.4149185556311235]},{"species":[{"element":"Ru","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8242879767876581,0.574316185114206,0.21916051525753402],"properties":{"magmom":-0.0},"label":"Ru","xyz":[4.659291245794383,4.1125655716915634,-0.578815104940093]},{"species":[{"element":"Ru","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.39487153846995604,0.07431618511417,0.219160515257627],"properties":{"magmom":-0.0},"label":"Ru","xyz":[2.3000687761788186,0.535557602163685,0.8631365463162868]},{"species":[{"element":"Ru","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.175712023212341,0.42568381488579304,0.780839484742465],"properties":{"magmom":-0.0},"label":"Ru","xyz":[0.8866586734545289,3.0592383794128204,5.8568702068875025]}]} | false | -30.334492 | -30.334492 | -0.380172 | 0 | true | -0.023705 | 0 | null | null | 4.712023 | false | true | false | NM | 0.00002 | 0 | 0.00001 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249273 | KErB12 | 225 | Cubic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.070136701224406,0.0,2.927244482200662],[1.690045567074802,4.7801708690284475,2.927244482200662],[0.0,0.0,5.854488964401324]],"pbc":[true,true,true],"a":5.854489425020505,"b":5.85448954345907,"c":5.854488964401324,"alpha":60.00000327186096,"beta":60.00000260264535,"gamma":60.00000240431247,"volume":141.8900956817658},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"K","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.0],"properties":{"magmom":0.0},"label":"K","xyz":[0.0,0.0,0.0]},{"species":[{"element":"Er","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.5,0.5],"properties":{"magmom":-0.0},"label":"Er","xyz":[3.380091134149604,2.3900854345142237,5.854488964401324]},{"species":[{"element":"B","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.399228821951837,0.100771178048148,0.100771178048248],"properties":{"magmom":0.0},"label":"B","xyz":[2.194452585113771,0.48170344974343604,2.053585990913476]},{"species":[{"element":"B","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8992288219518371,0.6007711780481481,0.6007711780482481],"properties":{"magmom":0.0},"label":"B","xyz":[5.574543719263375,2.87178888425766,7.9080749553148015]},{"species":[{"element":"B","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.399228821951823,0.39922882195185105,0.100771178048162],"properties":{"magmom":0.0},"label":"B","xyz":[2.698859603152743,1.9083819847707832,2.9272444822006563]},{"species":[{"element":"B","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8992288219518231,0.899228821951851,0.600771178048162],"properties":{"magmom":0.0},"label":"B","xyz":[6.078950737302347,4.298467419285007,8.781733446601981]},{"species":[{"element":"B","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.100771178048162,0.39922882195185105,0.100771178048233],"properties":{"magmom":0.0},"label":"B","xyz":[1.1856385490358268,1.9083819847707832,2.0535859909134704]},{"species":[{"element":"B","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.600771178048162,0.899228821951851,0.6007711780482331],"properties":{"magmom":0.0},"label":"B","xyz":[4.565729683185431,4.298467419285007,7.908074955314795]},{"species":[{"element":"B","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.10077117804817701,0.100771178048148,0.399228821951837],"properties":{"magmom":0.0},"label":"B","xyz":[0.6812315309968596,0.48170344974343604,2.927244482200659]},{"species":[{"element":"B","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.600771178048177,0.6007711780481481,0.8992288219518371],"properties":{"magmom":0.0},"label":"B","xyz":[4.061322665146464,2.87178888425766,8.781733446601983]},{"species":[{"element":"B","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.399228821951837,0.100771178048148,0.399228821951766],"properties":{"magmom":0.0},"label":"B","xyz":[2.194452585113771,0.48170344974343604,3.8009029734878426]},{"species":[{"element":"B","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8992288219518371,0.6007711780481481,0.8992288219517661],"properties":{"magmom":0.0},"label":"B","xyz":[5.574543719263375,2.87178888425766,9.655391937889167]},{"species":[{"element":"B","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.100771178048162,0.39922882195185105,0.399228821951751],"properties":{"magmom":0.0},"label":"B","xyz":[1.1856385490358268,1.9083819847707832,3.800902973487837]},{"species":[{"element":"B","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.600771178048162,0.899228821951851,0.899228821951751],"properties":{"magmom":0.0},"label":"B","xyz":[4.565729683185431,4.298467419285007,9.655391937889162]}]} | false | -9.48389 | -9.48389 | -0.333894 | 0 | true | -0.057095 | 0.1308 | 4.3461 | 4.2153 | 4.345758 | true | false | false | NM | 0 | 0 | 0 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249274 | Yb6Pd3Au5 | 1 | Triclinic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[7.153129768719849,-0.067776482690519,-3.244782385276121],[-4.904694408481317,5.184115118653489,-3.2038962697043942],[-0.037307482562325,-0.024079831088339002,7.92253290086717]],"pbc":[true,true,true],"a":7.854964790980936,"b":7.822789023811477,"c":7.922657335253314,"alpha":114.11784009943537,"beta":114.6669104076412,"gamma":114.04725165893153,"volume":289.5841247413331},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Yb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.276487821132093,0.40148172314849906,0.027479506527782003],"properties":{"magmom":-0.0},"label":"Yb","xyz":[0.0075829101839695115,2.0619263969385098,-1.965741312336812]},{"species":[{"element":"Yb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.40458685997396704,0.031463013359783,0.28483420038190105],"properties":{"magmom":0.0},"label":"Yb","xyz":[2.7291193994490706,0.12882764949163247,0.8430077761230301]},{"species":[{"element":"Yb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.025957012901486002,0.27413091361400804,0.391449736530788],"properties":{"magmom":-0.0},"label":"Yb","xyz":[-1.1734584817214846,1.4099408951858212,2.138761546925249]},{"species":[{"element":"Yb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.72202172703097,0.6010905642005181,0.9660942247952131],"properties":{"magmom":0.0},"label":"Yb","xyz":[2.180507036617477,3.0439232027190797,3.385278083224555]},{"species":[{"element":"Yb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.603265658067869,0.9707400170102711,0.725220966990299],"properties":{"magmom":-0.0},"label":"Yb","xyz":[-0.4730017649275149,4.974077575646222,0.6779708710867307]},{"species":[{"element":"Yb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.9732357850512231,0.7210749573241201,0.607279111425022],"properties":{"magmom":-0.0},"label":"Yb","xyz":[3.4023734998898667,3.6575499111804812,-0.6569989577284727]},{"species":[{"element":"Pd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.005974949803523,0.0010181591777320002,0.0017759768478030002],"properties":{"magmom":0.0},"label":"Pd","xyz":[0.037679574454940606,0.004830528082029173,-0.008579253258983666]},{"species":[{"element":"Pd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.503347179114364,0.49964354151098406,0.49912237376230406],"properties":{"magmom":0.0},"label":"Pd","xyz":[1.1312878073857893,2.544075753659491,0.7202552883931271]},{"species":[{"element":"Pd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.935034748738601,0.449212285676907,0.772801691705822],"properties":{"magmom":0.0},"label":"Pd","xyz":[4.456344624571484,2.2467859009985696,1.6493329796714586]},{"species":[{"element":"Au","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5519949756025181,0.228812428486129,0.06412077454938],"properties":{"magmom":0.0},"label":"Au","xyz":[2.8238444689008273,1.1472336745211817,-2.0161959136881356]},{"species":[{"element":"Au","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.22498820021579002,0.058257346127604005,0.5501229533371721],"properties":{"magmom":0.0},"label":"Au","xyz":[1.303111610280488,0.2735170121810674,3.4416789544396797]},{"species":[{"element":"Au","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.062751885671573,0.551346772519266,0.22217769135625],"properties":{"magmom":0.0},"label":"Au","xyz":[-2.2636039412148423,2.8486420356654607,-0.20986401144941252]},{"species":[{"element":"Au","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.43493598058259403,0.7631311081558461,0.9321383333562211],"properties":{"magmom":-0.0},"label":"Au","xyz":[-0.6665471035347796,3.9042353507278884,3.528631094941057]},{"species":[{"element":"Au","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7754172161134171,0.948596169688329,0.455381458434061],"properties":{"magmom":0.0},"label":"Au","xyz":[0.877096506561879,4.854111184652362,-1.947489266716253]}]} | false | -39.648585 | -39.648585 | -1.006983 | 0 | true | -0.011292 | 0 | null | null | 6.111709 | 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-3249275 | Yb6MnCoN6 | 38 | Orthorhombic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[6.393714537516317,0.087101052037549,0.0],[-1.168544195964849,6.286626409830132,0.0],[0.0,0.0,4.906693484096832]],"pbc":[true,true,true],"a":6.394307795259276,"b":6.3943074022678035,"c":4.906693484096832,"alpha":90.0,"beta":90.0,"gamma":99.74935212318157,"volume":197.72343803731295},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Yb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6672808558448291,0.900698944707613,0.75],"properties":{"magmom":0.058},"label":"Yb","xyz":[3.2138967844716677,5.72047863765361,3.680020113072624]},{"species":[{"element":"Yb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.39181392116565605,0.608186078834009,0.25],"properties":{"magmom":0.218},"label":"Yb","xyz":[1.7944540512700258,3.8575660700253973,1.226673371024208]},{"species":[{"element":"Yb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.903854814785468,0.6600914235757,0.25],"properties":{"magmom":0.214},"label":"Yb","xyz":[5.007643667272406,4.228474881610382,1.226673371024208]},{"species":[{"element":"Yb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6129825905396441,0.38701740946094504,0.75],"properties":{"magmom":0.049},"label":"Yb","xyz":[3.4669887528147956,2.486425295897924,3.680020113072624]},{"species":[{"element":"Yb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.339908576424129,0.09614518521479401,0.25],"properties":{"magmom":0.214},"label":"Yb","xyz":[2.060928508356717,0.6340352551524608,1.226673371024208]},{"species":[{"element":"Yb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.09930105529169701,0.33271914415535503,0.75],"properties":{"magmom":0.058},"label":"Yb","xyz":[0.24610557602010272,2.100330185087479,3.680020113072624]},{"species":[{"element":"Mn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.197018249645346,0.8029817503543271,0.75],"properties":{"magmom":-2.493},"label":"Mn","xyz":[0.3213587830712234,5.065206775203844,3.680020113072624]},{"species":[{"element":"Co","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8090622746579891,0.190937725340717,0.25],"properties":{"magmom":-1.495},"label":"Co","xyz":[4.9497940564991785,1.2708243220464468,1.226673371024208]},{"species":[{"element":"N","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.661209894557316,0.9318132902459121,0.25],"properties":{"magmom":-0.09},"label":"N","xyz":[3.138722303140973,5.915554116924239,1.226673371024208]},{"species":[{"element":"N","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.378566940269614,0.62143305972976,0.75],"properties":{"magmom":0.019},"label":"N","xyz":[1.6942769542970137,3.9396910640027745,3.680020113072624]},{"species":[{"element":"N","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6200001836794721,0.379999816321117,0.25],"properties":{"magmom":-0.082},"label":"N","xyz":[3.520057607824477,2.442919549276889,1.226673371024208]},{"species":[{"element":"N","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.927887393549625,0.677074460165719,0.75],"properties":{"magmom":0.005},"label":"N","xyz":[5.141455686653677,4.33733415084984,3.680020113072624]},{"species":[{"element":"N","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.32292553983423,0.07211260645127,0.75],"properties":{"magmom":0.005},"label":"N","xyz":[1.980426950848892,0.4814721704475956,3.680020113072624]},{"species":[{"element":"N","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.06818670975501101,0.338790105442733,0.25],"properties":{"magmom":-0.09},"label":"N","xyz":[0.04007514606059469,2.135785958420061,1.226673371024208]}]} | false | -22.96746 | -22.96746 | -1.405578 | 0 | true | -0.159371 | 0 | null | null | 5.110319 | false | true | true | FiM | 3.71087 | 0.018768 | 3.71087 | 7 | 6 | [
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] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249276 | ErTm(PdO2)4 | 82 | Tetragonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.108695711198719,0.009809677086566,-3.847176052692903],[-1.265220516207025,4.949553931654418,-3.847177025630978],[-0.007602565860145001,-0.009807790214867001,6.3952703288378]],"pbc":[true,true,true],"a":6.395281985948585,"b":6.395282491300106,"c":6.395282368329775,"alpha":127.05026484506973,"beta":127.05027514422649,"gamma":78.16868454802432,"volume":161.40369436807578},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Er","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.75,0.25,0.5],"properties":{"magmom":-0.0},"label":"Er","xyz":[3.5114153714172103,1.2398418456210956,-0.649541131508522]},{"species":[{"element":"Tm","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.0],"properties":{"magmom":-0.0},"label":"Tm","xyz":[0.0,0.0,0.0]},{"species":[{"element":"Pd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.37544494849318905,0.625345377170702,0.25070948700764],"properties":{"magmom":-0.0},"label":"Pd","xyz":[1.1249281618600475,3.0964047578722163,-2.2468622396650755]},{"species":[{"element":"Pd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8752645385151391,0.624555051507762,0.24990042867887002],"properties":{"magmom":-0.0},"label":"Pd","xyz":[3.679360444940751,3.0974040022339393,-4.171889821055359]},{"species":[{"element":"Pd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.37463489016315005,0.12473546148530801,0.7492905129923031],"properties":{"magmom":-0.0},"label":"Pd","xyz":[1.750381261198719,0.6137110569477776,2.870749605772668]},{"species":[{"element":"Pd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.374654622828515,0.6253651098362311,0.7500995713211861],"properties":{"magmom":-0.0},"label":"Pd","xyz":[1.1170690163473134,3.0915967597425715,0.9498369559746384]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.9892000071761081,0.96004663411832,0.342785832630127],"properties":{"magmom":0.0},"label":"O","xyz":[3.8362450843078326,4.758144353581283,-5.306887868680509]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7119817941755641,0.8668421175984371,0.473156884572318],"properties":{"magmom":0.0},"label":"O","xyz":[2.536954700481246,4.292825499312757,-3.0480482033888943]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.39368623302440403,0.238825909602866,0.5268431154279081],"properties":{"magmom":0.0},"label":"O","xyz":[1.7050503700953972,1.1807764879229403,0.9359183435326364]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6172608014869491,0.6464131745463321,0.657214167370135],"properties":{"magmom":0.0},"label":"O","xyz":[2.3305458848732767,3.199066180009989,-0.6585146236523902]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7611740903916621,0.28801820582701504,0.154860323419747],"properties":{"magmom":0.0},"label":"O","xyz":[3.5230229321980704,1.4315096775078493,-3.0460541254257185]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.039953365879839005,0.38273919850637805,0.029152373050941004],"properties":{"magmom":0.0},"label":"O","xyz":[-0.28036153022471516,1.894494314024158,-1.4397357773516526]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.133157882408369,0.606313766971688,0.8451396765800321],"properties":{"magmom":0.0},"label":"O","xyz":[-0.09328274451162827,2.9939999723087185,2.560018486309826]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.3535868254571,0.010799992828964001,0.9708476269487961],"properties":{"magmom":0.0},"label":"O","xyz":[1.785322193222919,0.04740184969252117,4.8069727707133945]}]} | false | -16.764127 | -16.764127 | -1.859229 | 0 | true | -0.013846 | 0 | null | null | 5.222216 | false | true | false | NM | 0.000014 | 0 | 0.000014 | 0 | 0 | [
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"O2-",
"Er3+",
"Pd2.50+"
] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249277 | Tb3Dy7Os4 | 1 | Triclinic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.893447771248381,-0.0013812547837370002,-2.400407408927313],[-0.34918210118714604,7.263140663382432,-0.8486510166341461],[-0.003726140397379,-0.029282312033165003,8.428572690639855]],"pbc":[true,true,true],"a":6.3635433737132985,"b":7.320884440004707,"c":8.428624380011263,"alpha":96.85441047648177,"beta":112.18626014616675,"gamma":90.03789303191563,"volume":360.54451794467303},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Tb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7934232423563751,0.085021993148956,0.8155266810132671],"properties":{"magmom":0.0},"label":"Tb","xyz":[4.643271514195707,0.5925502693281701,4.897032881787087]},{"species":[{"element":"Tb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.9771596622213111,0.41478044493499006,0.18371440754933102],"properties":{"magmom":-0.0},"label":"Tb","xyz":[5.613320980502718,3.005879426918418,-1.1491349008276166]},{"species":[{"element":"Tb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.20694580907814203,0.9149732389696511,0.184179384100907],"properties":{"magmom":0.001},"label":"Tb","xyz":[0.8994457609238747,6.639900294783121,0.2791221042095121]},{"species":[{"element":"Dy","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.022614660497303003,0.5854589765408701,0.8164469433138201],"properties":{"magmom":-0.0},"label":"Dy","xyz":[-0.07419567101984612,4.228332208495621,6.330347655524152]},{"species":[{"element":"Dy","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.20602557869912602,0.182489275003746,0.566271354909424],"properties":{"magmom":0.0},"label":"Dy","xyz":[1.1483689925431886,1.3085789655848357,4.123444243186524]},{"species":[{"element":"Dy","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6404926876561701,0.318207388038793,0.434024216204107],"properties":{"magmom":-0.0},"label":"Dy","xyz":[3.6619806430340422,2.2975911033356575,1.8507142396010487]},{"species":[{"element":"Dy","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7935963259514971,0.817261691201132,0.43379063648236305],"properties":{"magmom":0.0},"label":"Dy","xyz":[4.39002897908178,5.92208807049152,1.0577114465050756]},{"species":[{"element":"Dy","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.35925134825758603,0.6821036240715941,0.566357005633058],"properties":{"magmom":-0.0},"label":"Dy","xyz":[1.8769403553079318,4.937134108430458,3.332363658788526]},{"species":[{"element":"Dy","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.42324328510206005,0.250214870332712,0.999870132080602],"properties":{"magmom":0.0},"label":"Dy","xyz":[2.4032659846182547,1.7874826832840252,7.19917666801847]},{"species":[{"element":"Dy","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5767785781429631,0.7498299316886651,0.999899306183309],"properties":{"magmom":0.0},"label":"Dy","xyz":[3.133661469582313,5.416044225813592,6.4068764793711495]},{"species":[{"element":"Os","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.604756261371406,0.42252718316152005,0.7794507066330141],"properties":{"magmom":0.0},"label":"Os","xyz":[3.4136561683370394,3.04521492411976,4.759417405690268]},{"species":[{"element":"Os","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.824043745976325,0.077723940028462,0.22089440081990802],"properties":{"magmom":-0.0},"label":"Os","xyz":[4.828495885893207,0.5569133962016939,-0.18217669957782182]},{"species":[{"element":"Os","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.39593114738491403,0.577567008630516,0.22014276443545802],"properties":{"magmom":0.0},"label":"Os","xyz":[2.130903193625704,4.187957255301054,0.41494040370619484]},{"species":[{"element":"Os","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.175736667304796,0.921841434248385,0.7794340606414351],"properties":{"magmom":-0.0},"label":"Os","xyz":[0.7109000605413955,6.672397637794855,5.365355369107931]}]} | false | -38.152785 | -38.152785 | -0.331868 | 0 | true | -0.008354 | 0 | null | null | 3.968185 | false | true | false | NM | 0.000994 | 0.000003 | 0.000994 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249278 | Th6CoIrPd6 | 148 | Trigonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[7.324880056610789,0.062371847573062,-3.338090820219151],[-5.207600673213062,5.151568622782071,-3.338091128259971],[0.025327412504711003,0.062371972221093,8.049599790725185]],"pbc":[true,true,true],"a":8.04988250939947,"b":8.049883007065993,"c":8.049881274378269,"alpha":114.31406857567663,"beta":114.31407546501583,"gamma":114.31407130454973,"volume":309.4027505456025},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Th","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.39206963916562604,0.034663664064893004,0.272701244451454],"properties":{"magmom":0.0},"label":"Th","xyz":[2.698255377315284,0.22003526636300866,0.7706613473935072]},{"species":[{"element":"Th","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.034663664066656004,0.27270124445522703,0.39206963916726],"properties":{"magmom":0.0},"label":"Th","xyz":[-1.1562818931184133,1.4314553677435344,2.1299916217929633]},{"species":[{"element":"Th","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.272701244453585,0.392069639167466,0.034663664065490006],"properties":{"magmom":0.0},"label":"Th","xyz":[-0.04336026904517853,2.038944572624824,-1.9400370819305206]},{"species":[{"element":"Th","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.607930360834373,0.965336335935106,0.7272987555485451],"properties":{"magmom":0.0},"label":"Th","xyz":[-0.5556485814128485,5.056277176213213,0.6027564948525547]},{"species":[{"element":"Th","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.9653363359333441,0.7272987555447721,0.607930360832739],"properties":{"magmom":0.0},"label":"Th","xyz":[3.298888689020856,3.844857074832687,-0.7565737795469047]},{"species":[{"element":"Th","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7272987555464141,0.607930360832533,0.9653363359345091],"properties":{"magmom":0.0},"label":"Th","xyz":[2.185967064947615,3.2373678699513975,3.3134549241765825]},{"species":[{"element":"Co","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.0],"properties":{"magmom":-0.0},"label":"Co","xyz":[0.0,0.0,0.0]},{"species":[{"element":"Ir","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.5,0.5],"properties":{"magmom":0.0},"label":"Ir","xyz":[1.071303397951219,2.638156221288113,0.6867089211230315]},{"species":[{"element":"Pd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.23430705720320302,0.06900091305234901,0.5782118406112601],"properties":{"magmom":0.0},"label":"Pd","xyz":[1.371586498969446,0.40614131554147853,3.641904338714764]},{"species":[{"element":"Pd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.06900091304991901,0.57821184060841,0.23430705720085102],"properties":{"magmom":0.0},"label":"Pd","xyz":[-2.499738567034342,2.9976158830934425,-0.2743770912190718]},{"species":[{"element":"Pd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.578211840608808,0.23430705720077302,0.069000913050203],"properties":{"magmom":0.0},"label":"Pd","xyz":[3.016902405542381,1.2474167477912959,-2.1568322109601223]},{"species":[{"element":"Pd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.765692942796796,0.9309990869476501,0.42178815938873904],"properties":{"magmom":0.0},"label":"Pd","xyz":[0.7710202969329891,4.870171127034744,-2.268486496468701]},{"species":[{"element":"Pd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.93099908695008,0.42178815939158903,0.765692942799148],"properties":{"magmom":0.0},"label":"Pd","xyz":[4.642345362936778,2.278696559482779,1.6477949334651345]},{"species":[{"element":"Pd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.421788159391191,0.7656929427992261,0.930999086949796],"properties":{"magmom":0.0},"label":"Pd","xyz":[-0.8742956096399459,4.028895694784926,3.5302500532061845]}]} | false | -46.82091 | -46.82091 | -0.806061 | 0.000617 | false | null | 0 | null | null | 8.78386 | false | true | false | NM | 0.000025 | 0 | 0.000025 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | true | true |
mp-3249279 | TbMgCdPt3 | 160 | Trigonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.66557464358918,-0.021985948288977,2.358283780921957],[1.440965438805151,4.437531896997844,2.35828377924498],[-0.030406081031529003,-0.021985944568921,5.227635484660684]],"pbc":[true,true,true],"a":5.227769364478891,"b":5.227769420714171,"c":5.2277701433790895,"alpha":63.5176312228223,"beta":63.51763327641637,"gamma":63.517626199071266,"volume":108.88364846112067},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Tb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.24303258608338002,0.24303258608343703,0.243032586083636],"properties":{"magmom":-0.0},"label":"Tb","xyz":[1.4766985597404316,1.0677782499188841,2.4167653825241513]},{"species":[{"element":"Mg","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6288158306844941,0.62881583068431,0.628815830683606],"properties":{"magmom":-0.0},"label":"Mg","xyz":[3.820769249417011,2.7627400836646316,6.253072298123479]},{"species":[{"element":"Cd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.9957107360199721,0.9957107360202071,0.995710736021116],"properties":{"magmom":0.0},"label":"Cd","xyz":[6.0500718586532365,4.374714865471114,9.901549732903892]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6273242775786151,0.627324277578679,0.127791292054972],"properties":{"magmom":-0.0},"label":"Pt","xyz":[3.8268952133116247,2.7671695601257427,3.6268636303098143]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6273242775791771,0.12779129205425402,0.627324277578402],"properties":{"magmom":-0.0},"label":"Pt","xyz":[3.09189660519465,0.5394932987284665,5.060199454231846]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.12779129205435402,0.627324277579106,0.627324277578267],"properties":{"magmom":-0.0},"label":"Pt","xyz":[1.481097941978104,2.7671695619859498,5.060199453393502]}]} | false | -35.946728 | -35.946728 | -0.952749 | 0 | true | -0.067331 | 0 | null | null | 6.589757 | 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-3249280 | AcBi2BrO4 | 123 | Tetragonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.02165889383005,0.0,0.0],[0.0,4.02165889383005,0.0],[0.0,0.0,9.50035048270375]],"pbc":[true,true,true],"a":4.02165889383005,"b":4.02165889383005,"c":9.50035048270375,"alpha":90.0,"beta":90.0,"gamma":90.0,"volume":153.65620107027775},"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":"Bi","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.5,0.27870816690133104],"properties":{"magmom":-0.0},"label":"Bi","xyz":[2.010829446915025,2.010829446915025,2.6478252679545378]},{"species":[{"element":"Bi","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.5,0.7212928330986651],"properties":{"magmom":-0.0},"label":"Bi","xyz":[2.010829446915025,2.010829446915025,6.852534715099658]},{"species":[{"element":"Br","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.5],"properties":{"magmom":0.0},"label":"Br","xyz":[0.0,0.0,4.750175241351875]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.0,0.16833722233099702],"properties":{"magmom":0.0},"label":"O","xyz":[2.010829446915025,0.0,1.599262611429296]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.5,0.16833722233099702],"properties":{"magmom":0.0},"label":"O","xyz":[0.0,2.010829446915025,1.599262611429296]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.0,0.831663777669],"properties":{"magmom":0.0},"label":"O","xyz":[2.010829446915025,0.0,7.901097371624909]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.5,0.831663777669],"properties":{"magmom":0.0},"label":"O","xyz":[0.0,2.010829446915025,7.901097371624909]}]} | false | -29.960508 | -29.960508 | -2.111628 | 0 | true | -0.040894 | 1.4566 | 5.0883 | 3.6317 | 3.728484 | false | false | false | NM | 0 | 0 | 0 | 0 | 0 | [
"Br-",
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"Ac3+",
"Bi3+"
] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249281 | CeNi2Pt2Au | 44 | Orthorhombic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.516881116709985,0.0075320660918780005,-2.42007356183898],[-1.5787010483430481,4.130215525534091,-2.589990896078813],[0.092905151662692,-0.007532063175016,5.123508543116133]],"pbc":[true,true,true],"a":5.124356330235327,"b":5.124356557576124,"c":5.124356339147887,"alpha":120.80475170880167,"beta":117.14294154311632,"gamma":91.81508774797464,"volume":96.45344512964506},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Ce","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.9971760284717981,0.9971760284718201,0.0],"properties":{"magmom":-0.006},"label":"Ce","xyz":[2.9298827315091045,4.126062710236422,-4.995916178534234]},{"species":[{"element":"Ni","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.62199117857245,0.8711964767152761,0.24920629814244602],"properties":{"magmom":0.01},"label":"Ni","xyz":[1.4572539670751334,3.6010370550043844,-2.484844752817589]},{"species":[{"element":"Ni","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.621991178572557,0.37278488043005303,0.750793701857517],"properties":{"magmom":0.01},"label":"Ni","xyz":[2.2906969304516753,1.5387117539083532,1.3759240921145959]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.125132847767695,0.374705590678289,0.7504262570896141],"properties":{"magmom":0.001},"label":"Pt","xyz":[0.04338055356480774,1.5429050990269526,2.5715005740104777]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.624279333588553,0.37470559067796905,0.249573742910378],"properties":{"magmom":0.001},"label":"Pt","xyz":[2.251434111051233,1.5504371561245263,-1.2025927750470975]},{"species":[{"element":"Au","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.25943143302694605,0.7594314330265981,0.5000000000000421],"properties":{"magmom":0.0},"label":"Au","xyz":[0.019358317288020017,3.13480351837742,-0.03300937835520636]}]} | false | -35.371218 | -35.371218 | -0.643809 | 0 | true | -0.009424 | 0 | null | null | 9.091724 | false | true | false | NM | 0.01459 | 0.000151 | 0.01459 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249282 | Tm2Mn2Ga2C | 12 | Monoclinic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.945253064079707,0.14568859538708,-3.261610034370395],[3.462259513970695,3.534050751593577,-3.2616090096027612],[-0.052754748286427004,-0.023089277450921,7.172361816840262]],"pbc":[true,true,true],"a":5.925778687305259,"b":5.925778344525015,"c":7.172592990674161,"alpha":123.82165528719493,"beta":123.82166518362864,"gamma":36.36976756620961,"volume":121.03723106130779},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Tm","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5628134297776121,0.562813429800286,0.274888480150671],"properties":{"magmom":-0.06},"label":"Tm","xyz":[4.717359317452276,2.064659746255684,-1.6997556444811965]},{"species":[{"element":"Tm","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.437187570222384,0.43718757019971105,0.725112519849325],"properties":{"magmom":-0.06},"label":"Tm","xyz":[3.6374068670694992,1.5919939799241105,2.3488990664910685]},{"species":[{"element":"Mn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.19792139641637602,0.19792139622254,0.07909342647928201],"properties":{"magmom":3.471},"label":"Mn","xyz":[1.6598540753598452,0.7264729392491448,-0.7237979496377823]},{"species":[{"element":"Mn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8020796035836211,0.802079603777457,0.9209075735207081],"properties":{"magmom":3.471},"label":"Mn","xyz":[6.694912109161935,2.93018078693065,1.372941371647609]},{"species":[{"element":"Ga","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8633137771636321,0.8633137771468421,0.335138655294521],"properties":{"magmom":-0.124},"label":"Ga","xyz":[7.240641284848194,3.1690315651635474,-3.2278491774818274]},{"species":[{"element":"Ga","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.136686222836367,0.136686222853157,0.6648613447054781],"properties":{"magmom":-0.124},"label":"Ga","xyz":[1.1141165449157742,0.4876185043661852,3.876991950348932]},{"species":[{"element":"C","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.0],"properties":{"magmom":-0.114},"label":"C","xyz":[0.0,0.0,0.0]}]} | false | -19.443668 | -19.443668 | -0.523446 | 0 | true | -0.035297 | 0 | null | null | 5.34623 | false | true | true | FiM | 6.5757 | 0.054328 | 6.5757 | 4 | 2 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249283 | PrNd(Cd2Pt)2 | 38 | Orthorhombic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.47553200862083,-0.05975584891555401,0.0],[-3.801683712500788,3.941094033016869,0.0],[0.0,0.0,8.587392391521877]],"pbc":[true,true,true],"a":5.47585806416774,"b":5.4758580356849045,"c":8.587392391521877,"alpha":90.0,"beta":90.0,"gamma":134.5937473905765,"volume":183.36155485543114},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Pr","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.9327871894922091,0.06721281050828,0.25],"properties":{"magmom":-0.0},"label":"Pr","xyz":[4.851984266315324,0.20915251607081511,2.1468480978804694]},{"species":[{"element":"Nd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.067557009582579,0.9324429904173,0.75],"properties":{"magmom":0.0},"label":"Nd","xyz":[-3.1749427611288623,3.6708085792042233,6.440544293641408]},{"species":[{"element":"Cd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.643333930684384,0.35666606931555805,0.45396976136432704],"properties":{"magmom":-0.0},"label":"Cd","xyz":[2.166663943175565,1.3672115523949013,3.8984164747210244]},{"species":[{"element":"Cd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.35664145852990004,0.6433585414701211,0.54758489711461],"properties":{"magmom":-0.0},"label":"Cd","xyz":[-0.49304396662353617,2.5142250957653944,4.702326379194292]},{"species":[{"element":"Cd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.643333930684384,0.35666606931555805,0.046030238635673],"properties":{"magmom":-0.0},"label":"Cd","xyz":[2.166663943175565,1.3672115523949013,0.3952797210399147]},{"species":[{"element":"Cd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.35664145852990004,0.6433585414701211,0.9524151028853891],"properties":{"magmom":-0.0},"label":"Cd","xyz":[-0.49304396662353617,2.5142250957653944,8.178762208088516]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.22435354108728903,0.7756464589122131,0.25],"properties":{"magmom":0.0},"label":"Pt","xyz":[-1.7203075140345925,3.0434891946447054,2.1468480978804694]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.775351481409366,0.22464851859085402,0.75],"properties":{"magmom":-0.0},"label":"Pt","xyz":[3.391419240224282,0.8390291501649448,6.440544293641408]}]} | false | -30.989551 | -30.989551 | -0.712382 | 0 | true | -0.026152 | 0 | null | null | 4.481708 | 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-3249284 | NdCu2HgPt2 | 44 | Orthorhombic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.509252828156828,5.1163577e-9,2.525599031893043],[1.6492905647541751,4.400187259059395,2.343576580104044],[0.020826217311953003,-0.00045918667949,5.251068635360307]],"pbc":[true,true,true],"a":5.168366428392962,"b":5.251110212953823,"c":5.2511099546138515,"alpha":63.41851954670205,"beta":60.51989693164444,"gamma":60.519902485929926,"volume":103.96087261689789},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Nd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.9961665641465061,0.0038334358535500003,0.0038334358544670002],"properties":{"magmom":-0.0},"label":"Nd","xyz":[4.498369182244908,0.01686608043527561,2.545030895281403]},{"species":[{"element":"Cu","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.129293010840001,0.619740931605399,0.6197409316044611],"properties":{"magmom":-0.0},"label":"Cu","xyz":[1.6180546051986398,2.7266915750486587,5.033254804047481]},{"species":[{"element":"Cu","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.63122312594978,0.6197409316047661,0.61974093160429],"properties":{"magmom":-0.0},"label":"Cu","xyz":[3.8813843962934453,2.7266915776139276,6.300929016844321]},{"species":[{"element":"Hg","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.239620494062791,0.260379505937237,0.26037950593791204],"properties":{"magmom":-0.0},"label":"Hg","xyz":[1.5153735731088573,1.1455990229704558,2.582675256801471]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.626847902499967,0.6227325809484441,0.12357161405113],"properties":{"magmom":0.0},"label":"Pt","xyz":[3.8562561765832535,2.74008322925856,3.691470974841358]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.626847902500969,0.12357161405061101,0.6227325809477471],"properties":{"magmom":0.0},"label":"Pt","xyz":[3.043390338359838,0.543452294428026,5.142777520386987]}]} | false | -34.520519 | -34.520519 | -0.611379 | 0 | true | -0.03074 | 0 | null | null | 6.826932 | 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-3249285 | La2NiGeI2 | 156 | Trigonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.315412090967865,-1.2693650000000002e-9,0.0],[-2.157705547584481,3.737257161180108,0.0],[1e-16,0.0,12.03368057207234]],"pbc":[true,true,true],"a":4.315412090967865,"b":4.315412415849596,"c":12.03368057207234,"alpha":90.0,"beta":90.0,"gamma":119.99998989319492,"volume":194.0768505419234},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"La","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.156983562880142],"properties":{"magmom":-0.0},"label":"La","xyz":[1.56983562880142e-17,0.0,1.8890900507654615]},{"species":[{"element":"La","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.844441852104537],"properties":{"magmom":0.0},"label":"La","xyz":[8.44441852104537e-17,0.0,10.161743509915151]},{"species":[{"element":"Ni","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.995521738833929],"properties":{"magmom":-0.0},"label":"Ni","xyz":[-1.8257728900957428e-6,2.491506019449323,11.979790607681526]},{"species":[{"element":"Ge","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.005158733882566001],"properties":{"magmom":-0.0},"label":"Ge","xyz":[2.157708369156272,1.2457511404614166,0.06207855569912579]},{"species":[{"element":"I","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.660158393748098],"properties":{"magmom":-0.0},"label":"I","xyz":[2.157708369156272,1.2457511404614166,7.94413523733697]},{"species":[{"element":"I","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.33773571855072504],"properties":{"magmom":-0.0},"label":"I","xyz":[-1.8257728901615214e-6,2.491506019449323,4.0642037548187515]}]} | false | -23.729049 | -23.729049 | -1.318945 | 0 | true | -0.050963 | 0.3762 | 6.0178 | 5.6416 | 5.654653 | false | false | false | NM | 0 | 0 | 0 | 0 | 0 | [
"I-",
"Ni2+",
"Ge2-",
"La+"
] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249286 | YHoGa3Cu | 156 | Trigonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.331203431879987,1.52966347e-8,0.0],[-2.165603189551727,3.7509319212967482,0.0],[0.0,0.0,7.206766255505403]],"pbc":[true,true,true],"a":4.331203431879987,"b":4.331203926485052,"c":7.206766255505403,"alpha":90.0,"beta":90.0,"gamma":120.00001852961441,"volume":117.08147947257895},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Y","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.238760166396275],"properties":{"magmom":-0.0},"label":"Y","xyz":[-3.148010007694557e-6,2.5006225362739976,1.7206887103435298]},{"species":[{"element":"Ho","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.769841545755603],"properties":{"magmom":-0.0},"label":"Ho","xyz":[-3.148010007694557e-6,2.5006225362739976,5.548068074037598]},{"species":[{"element":"Ga","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.018882874950115],"properties":{"magmom":0.0},"label":"Ga","xyz":[0.0,0.0,0.13608446599741705]},{"species":[{"element":"Ga","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.45902433627772105],"properties":{"magmom":0.0},"label":"Ga","xyz":[0.0,0.0,3.3080810971420442]},{"species":[{"element":"Ga","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.5525280935108721],"properties":{"magmom":0.0},"label":"Ga","xyz":[2.1656033903382657,1.250309400319382,3.9819408195328863]},{"species":[{"element":"Cu","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.9609629831094111],"properties":{"magmom":0.0},"label":"Cu","xyz":[2.1656033903382657,1.250309400319382,6.925435599462712]}]} | false | -17.076644 | -17.076644 | -0.681633 | 0 | true | -0.002079 | 0 | null | null | 5.197995 | false | true | false | NM | 0.000029 | 0 | 0.000029 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249287 | Tb2PtRh3 | 166 | Trigonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.648552388877671,0.048170684868495,2.616226780576273],[1.5519558163485832,4.382099360010032,2.616226779421173],[0.067418249484836,0.048170689695866006,5.333774356288185]],"pbc":[true,true,true],"a":5.334416771721674,"b":5.334416952044433,"c":5.334417917590148,"alpha":59.90212257881544,"beta":59.902124265044556,"gamma":59.90212240350245,"volume":107.09779460385421},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Tb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6244372692290481,0.6244372692292041,0.624437269229787],"properties":{"magmom":-0.0},"label":"Tb","xyz":[3.913926879108594,2.796505302702485,6.597946506101484]},{"species":[{"element":"Tb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.37556273077095104,0.37556273077079505,0.375562730770212],"properties":{"magmom":-0.0},"label":"Tb","xyz":[2.353999575602491,1.6819354318719038,3.9682814101841375]},{"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]},{"species":[{"element":"Rh","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.5,0.0],"properties":{"magmom":0.0},"label":"Rh","xyz":[0.7759779081742916,2.191049680005016,1.3081133897105865]},{"species":[{"element":"Rh","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.0,0.0],"properties":{"magmom":0.0},"label":"Rh","xyz":[2.3242761944388355,0.0240853424342475,1.3081133902881366]},{"species":[{"element":"Rh","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.5],"properties":{"magmom":0.0},"label":"Rh","xyz":[0.033709124742418,0.024085344847933003,2.6668871781440924]}]} | false | -31.982205 | -31.982205 | -0.923993 | 0 | true | -0.010705 | 0 | null | null | 8.276805 | false | true | false | NM | 0 | 0 | 0 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249288 | CaLaInHg | 216 | Cubic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.750986977032738,-2.1091537e-9,2.742983047257922],[1.58366265502758,4.47927282257752,2.742983047257922],[0.0,0.0,5.485966094515845]],"pbc":[true,true,true],"a":5.485966938788369,"b":5.485966498398887,"c":5.485966094515845,"alpha":60.00000243536729,"beta":60.00000509086364,"gamma":59.999997319428296,"volume":116.74666259752053},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Ca","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.25,0.25,0.25],"properties":{"magmom":-0.0},"label":"Ca","xyz":[1.5836624080150796,1.1198182051170915,2.7429830472579226]},{"species":[{"element":"La","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.75,0.75,0.75],"properties":{"magmom":0.0},"label":"La","xyz":[4.750987224045239,3.3594546153512748,8.228949141773768]},{"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":"Hg","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.5,0.5],"properties":{"magmom":-0.0},"label":"Hg","xyz":[3.1673248160301593,2.239636410234183,5.485966094515845]}]} | false | -27.823536 | -27.823536 | -0.641168 | 0 | true | -0.007862 | 0 | null | null | 5.785263 | false | true | false | NM | 0.000053 | 0 | 0.000053 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249289 | Dy3Th(CBr)2 | 156 | Trigonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[3.676302853591926,-2.6915028999999993e-9,0.0],[-1.838150431413376,3.183771610901214,0.0],[0.0,0.0,14.480679225214715]],"pbc":[true,true,true],"a":3.676302853591926,"b":3.6763023105949397,"c":14.480679225214715,"alpha":90.0,"beta":90.0,"gamma":119.99998701478626,"volume":169.48923529854417},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Dy","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.40326167080544906],"properties":{"magmom":0.004},"label":"Dy","xyz":[1.8381535967412337,1.0612561405822079,5.839502898757841]},{"species":[{"element":"Dy","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.090929904687485],"properties":{"magmom":0.005},"label":"Dy","xyz":[1.8381535967412337,1.0612561405822079,1.3167267817588182]},{"species":[{"element":"Dy","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.915705587382554],"properties":{"magmom":0.006},"label":"Dy","xyz":[-1.1745626851831315e-6,2.1225154676275,13.260038875623588]},{"species":[{"element":"Th","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.5890408012338211],"properties":{"magmom":0.008},"label":"Th","xyz":[-1.1745626851831315e-6,2.1225154676275,8.529710893230423]},{"species":[{"element":"C","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.004313949909686],"properties":{"magmom":-0.001},"label":"C","xyz":[0.0,0.0,0.06246892483580696]},{"species":[{"element":"C","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.48523223818815303],"properties":{"magmom":-0.002},"label":"C","xyz":[0.0,0.0,7.026492390935625]},{"species":[{"element":"Br","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.246724854704879],"properties":{"magmom":0.0},"label":"Br","xyz":[-1.1745626851831315e-6,2.1225154676275,3.5727434778690603]},{"species":[{"element":"Br","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.7647919930879891],"properties":{"magmom":0.0},"label":"Br","xyz":[1.8381535967412337,1.0612561405822079,11.074707525919798]}]} | false | -28.133018 | -28.133018 | -1.153905 | 0 | true | -0.0483 | 0 | null | null | 6.001773 | false | true | false | NM | 0.037028 | 0.000218 | 0.037028 | 0 | 0 | [
"Br-",
"Th4+",
"C4-",
"Dy2+"
] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249290 | PrThCS | 160 | Trigonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[3.744861149053247,0.002963278827346,5.99941517609427],[1.720985444909642,3.325988614104201,5.9994151747902995],[0.004866143281506001,0.0029632813421660003,7.072266862719163]],"pbc":[true,true,true],"a":7.072268112979036,"b":7.07226792494782,"c":7.072269157625598,"alpha":31.933165051161037,"beta":31.93316442126526,"gamma":31.93316387835362,"volume":87.9186093131758},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Pr","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.26014025891880205,0.260140258918589,0.260140258919875],"properties":{"magmom":-0.0},"label":"Pr","xyz":[1.4231526279367837,0.8667652761303437,4.9611601670188294]},{"species":[{"element":"Th","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7361801698604391,0.7361801698606171,0.736180169859586],"properties":{"magmom":-0.0},"label":"Th","xyz":[4.027430232162549,2.452889878957986,14.039763586130777]},{"species":[{"element":"C","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.006152639993040001,0.006152639992997,0.006152639993253],"properties":{"magmom":0.0},"label":"C","xyz":[0.03365932597753023,0.020500074554510903,0.11733759542882045]},{"species":[{"element":"S","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.49752593122771305,0.49752593122779104,0.49752593122727906],"properties":{"magmom":0.0},"label":"S","xyz":[2.7218214490769608,1.6577141998525349,9.488365400729839]}]} | false | -31.592151 | -31.592151 | -1.377028 | 0 | true | -0.01991 | 0 | null | null | 6.443279 | false | true | false | NM | 0.000001 | 0 | 0.000001 | 0 | 0 | [
"Th3+",
"S2-",
"C4-",
"Pr3+"
] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249291 | EuAl2GaAg | 107 | Tetragonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.095997147052244,0.16360813029277302,-5.050309865328951],[-0.38945317003711805,4.080721741375816,-5.050309870294624],[-0.142877576897493,-0.16360814439593901,6.500954867909185]],"pbc":[true,true,true],"a":6.504582229843585,"b":6.504582499145086,"c":6.50458267850328,"alpha":142.22805468523862,"beta":142.22805454298248,"gamma":54.48541899686035,"volume":102.5425496135356},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Eu","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.9918699441635681,0.9918699441660621,0.999999999999552],"properties":{"magmom":6.686},"label":"Eu","xyz":[3.5335319906234024,4.046215088437999,-3.517546265296713]},{"species":[{"element":"Al","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7511282097241361,0.25112820972363104,0.500000000000092],"properties":{"magmom":-0.011},"label":"Al","xyz":[2.907377538289147,1.0658709550971461,-1.8112280500181595]},{"species":[{"element":"Al","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.251128209724136,0.751128209723631,0.500000000000092],"properties":{"magmom":-0.011},"label":"Al","xyz":[0.6646523797444657,3.024427760638668,-1.8112280525009956]},{"species":[{"element":"Ga","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.390055240498043,0.390055240498036,0.0],"properties":{"magmom":-0.031},"label":"Ga","xyz":[1.4457569023712105,1.655523108846691,-3.939799660157898]},{"species":[{"element":"Ag","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.615818395890116,0.6158183958886311,2.7e-13],"properties":{"magmom":-0.008},"label":"Ag","xyz":[2.2825579662221656,2.613736413193349,-6.2201474430785035]}]} | false | -17.392324 | -17.392324 | -0.435578 | 0 | true | -0.009295 | 0 | null | null | 5.792633 | false | true | true | FM | 6.874364 | 0.067039 | 6.874364 | 1 | 1 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249292 | AcTi(GaPt)2 | 164 | Trigonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.375329113692643,0.0,0.0],[-2.187664556846321,3.789146896679152,0.0],[0.0,0.0,7.27869113827964]],"pbc":[true,true,true],"a":4.375329113692643,"b":4.375329749618292,"c":7.27869113827964,"alpha":90.0,"beta":90.0,"gamma":119.99999519207653,"volume":120.67170794642651},"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":"Ti","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.5],"properties":{"magmom":0.0},"label":"Ti","xyz":[0.0,0.0,3.63934556913982]},{"species":[{"element":"Ga","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.321776004311132],"properties":{"magmom":0.0},"label":"Ga","xyz":[-2.1876645345752443e-6,2.5260991941683852,2.3421081510904678]},{"species":[{"element":"Ga","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.678223995688867],"properties":{"magmom":0.0},"label":"Ga","xyz":[2.1876667445108544,1.2630477025107634,4.9365829871891656]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.688534808570594],"properties":{"magmom":0.0},"label":"Pt","xyz":[-2.1876645345752443e-6,2.5260991941683852,5.011632209539851]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.31146519142940504],"properties":{"magmom":0.0},"label":"Pt","xyz":[2.1876667445108544,1.2630477025107634,2.2670589287397824]}]} | false | -35.588349 | -35.588349 | -1.015645 | 0 | true | -0.126507 | 0 | null | null | 7.670564 | false | true | false | NM | 0.000065 | 0.000001 | 0.000065 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249293 | CeZnAsN | 129 | Tetragonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[3.998603439050229,0.0,0.0],[0.0,3.998603439050229,0.0],[0.0,0.0,8.958322452816041]],"pbc":[true,true,true],"a":3.998603439050229,"b":3.998603439050229,"c":8.958322452816041,"alpha":90.0,"beta":90.0,"gamma":90.0,"volume":143.23308997070743},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Ce","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.25000099999999703,0.25000099999999703,0.12377423317629802],"properties":{"magmom":-0.0},"label":"Ce","xyz":[0.9996548583659844,0.9996548583659844,1.1088094921433187]},{"species":[{"element":"Ce","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.75,0.75,0.8762277668237031],"properties":{"magmom":-0.0},"label":"Ce","xyz":[2.998952579287672,2.998952579287672,7.849530877317638]},{"species":[{"element":"Zn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.75,0.25000099999999703,0.5],"properties":{"magmom":0.0},"label":"Zn","xyz":[2.998952579287672,0.9996548583659844,4.479161226408021]},{"species":[{"element":"Zn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.25000099999999703,0.75,0.5],"properties":{"magmom":0.0},"label":"Zn","xyz":[0.9996548583659844,2.998952579287672,4.479161226408021]},{"species":[{"element":"As","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.75,0.75,0.323984407699327],"properties":{"magmom":0.0},"label":"As","xyz":[2.998952579287672,2.998952579287672,2.9023567938551875]},{"species":[{"element":"As","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.25000099999999703,0.25000099999999703,0.6760145923006741],"properties":{"magmom":0.0},"label":"As","xyz":[0.9996548583659844,0.9996548583659844,6.0559567006384105]},{"species":[{"element":"N","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.75,0.25000099999999703,0.0],"properties":{"magmom":0.0},"label":"N","xyz":[2.998952579287672,0.9996548583659844,0.0]},{"species":[{"element":"N","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.25000099999999703,0.75,0.0],"properties":{"magmom":0.0},"label":"N","xyz":[0.9996548583659844,2.998952579287672,0.0]}]} | false | -17.058698 | -17.058698 | -1.16182 | 0 | true | -0.175746 | 0.3701 | 6.1003 | 5.7302 | 5.802235 | true | false | false | NM | 0 | 0 | 0 | 0 | 0 | [
"As3-",
"N3-",
"Zn2+",
"Ce4+"
] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249294 | Yb2MnPt3 | 166 | Trigonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.183461061810666,0.24704611540097202,-2.2879121e-9],[-2.417042925834881,3.665260751976734,-2.76641911739816],[-2.6859823e-9,5.9580035000000014e-9,5.53283725085454]],"pbc":[true,true,true],"a":5.1893448875982475,"b":5.189345586720498,"c":5.53283725085454,"alpha":122.21487530722742,"beta":90.00000005010708,"gamma":115.5702560152233,"volume":108.42069017584113},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Yb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.9996811379511711,0.000637724097828,0.000318862048878],"properties":{"magmom":-0.163},"label":"Yb","xyz":[5.180266846276326,0.24930476687871855,-2.601123445945578e-9]},{"species":[{"element":"Yb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7503198620488261,0.499362275902171,0.249681137951121],"properties":{"magmom":-0.163},"label":"Yb","xyz":[2.682273731764453,2.0156565595969616,-2.473881728624671e-7]},{"species":[{"element":"Mn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.375,0.25,0.625],"properties":{"magmom":3.852999999999999},"label":"Mn","xyz":[1.3395371650415406,1.0089574849933003,2.76641850157658]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.375,0.750000999999997,0.125],"properties":{"magmom":0.131},"label":"Pt","xyz":[0.13101328642417256,2.8415915232634066,-1.3832124489688786]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.875000999999997,0.25,0.625],"properties":{"magmom":0.131},"label":"Pt","xyz":[3.9312728794079206,1.132480789739901,2.766418500432622]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.375,0.750000999999997,0.625],"properties":{"magmom":0.131},"label":"Pt","xyz":[0.13101328508118143,2.841591526242408,1.3832061764583912]}]} | false | -41.531745 | -41.531745 | -1.164205 | 0.062317 | false | null | 0 | null | null | 7.417289 | false | true | true | FiM | 4.141402 | 0.038198 | 4.141402 | 3 | 2 | [] | true | null | null | null | null | null | null | null | false | false | false | true | true |
mp-3249295 | Np2Ir3Rh | 166 | Trigonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.616795644345023,0.00977401460551,2.6824964770103152],[1.547652730958567,4.379751441960718,2.682031801346664],[-0.000587658711435,-0.0000889953492115,5.363499201023977]],"pbc":[true,true,true],"a":5.339539765015093,"b":5.363836896516833,"c":5.36349923395611,"alpha":60.001589961926605,"beta":59.84846537732046,"gamma":59.85590163484778,"volume":108.37868129707482},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Np","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.750847539658266,0.749709840843905,0.749736690883388],"properties":{"magmom":3.758},"label":"Np","xyz":[4.626359543972361,3.290814828228743,8.046103657362472]},{"species":[{"element":"Np","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.49915246034173305,0.5002901591560941,0.500263309116611],"properties":{"magmom":3.758},"label":"Np","xyz":[3.0784663517678266,2.1959807482925244,5.363930691863712]},{"species":[{"element":"Ir","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.125,0.625,0.125],"properties":{"magmom":-0.211},"label":"Ir","xyz":[1.544308955053303,2.7385552786324863,2.6820193355959514]},{"species":[{"element":"Ir","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.125,0.125,0.625],"properties":{"magmom":-0.213},"label":"Ir","xyz":[0.7701887602183018,0.5486350599775214,4.022753035434608]},{"species":[{"element":"Ir","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.125,0.125,0.125],"properties":{"magmom":-0.213},"label":"Ir","xyz":[0.7704825895740194,0.5486795576521271,1.3410034349226194]},{"species":[{"element":"Rh","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.625,0.125,0.125],"properties":{"magmom":-0.167},"label":"Rh","xyz":[3.0788804117465314,0.5535665649548821,2.682251673427777]}]} | false | -58.615029 | -58.615029 | -0.73791 | 0 | true | -0.024153 | 0 | null | null | 11.474594 | false | true | true | FiM | 7.224839 | 0.066663 | 7.224839 | 5 | 2 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249296 | SmH2Br | 166 | Trigonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[3.798576534377406,-0.0019025921152580002,10.198288836101547],[1.836061822565689,3.325367189100981,10.198288836215754],[-0.0032263287404090003,-0.001902590901637,10.882750303424938]],"pbc":[true,true,true],"a":10.882751604807162,"b":10.88275172672406,"c":10.882750947979323,"alpha":20.445936705374887,"beta":20.445936764152314,"gamma":20.44593303394081,"volume":137.65279372322823},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Sm","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.885219908846529,0.8852199088466081,0.885219908846075],"properties":{"magmom":-0.0},"label":"Sm","xyz":[4.985038042282975,2.940312816254113,27.689083859463096]},{"species":[{"element":"Sm","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.11478009115347002,0.11478009115339201,0.11478009115392501],"properties":{"magmom":-0.0},"label":"Sm","xyz":[0.6463739859197071,0.38124918982997386,3.590244116279135]},{"species":[{"element":"H","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8134304063222401,0.813430406322268,0.8134304063220831],"properties":{"magmom":0.0},"label":"H","xyz":[4.580761774268913,2.7018595322335863,25.443556464793197]},{"species":[{"element":"H","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.18656959367775902,0.18656959367773102,0.186569593677916],"properties":{"magmom":0.0},"label":"H","xyz":[1.050650253933768,0.6197024738504966,5.835771510949013]},{"species":[{"element":"H","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5457793798464791,0.545779379846401,0.545779379846962],"properties":{"magmom":0.0},"label":"H","xyz":[3.07350856441232,1.812840051801939,17.07161222461968]},{"species":[{"element":"H","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.45422062015352005,0.45422062015359904,0.45422062015303705],"properties":{"magmom":0.0},"label":"H","xyz":[2.557903463790363,1.5087219542821473,14.207715751122539]},{"species":[{"element":"Br","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.719966355378794,0.719966355378794,0.7199663553787801],"properties":{"magmom":0.0},"label":"Br","xyz":[4.0544271935813905,2.391412891685035,22.52006376139294]},{"species":[{"element":"Br","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.280033644621205,0.280033644621205,0.28003364462121905],"properties":{"magmom":0.0},"label":"Br","xyz":[1.5769848346212902,0.9301491143990477,8.75926421434927]}]} | false | -13.721158 | -13.721158 | -1.245651 | 0 | true | -0.065969 | 2.1039 | 3.8381 | 1.7342 | 1.832257 | false | false | false | NM | 0 | 0 | 0 | 0 | 0 | [
"Br-",
"Sm3+",
"H-"
] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249297 | NdHo(ZnGa)2 | 156 | Trigonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.4088835948819725,-7.578771400000001e-9,0.0],[-2.204441310619596,3.8182052895427643,0.0],[0.0,0.0,7.343839005816131]],"pbc":[true,true,true],"a":4.4088835948819725,"b":4.408883432917975,"c":7.343839005816131,"alpha":90.0,"beta":90.0,"gamma":119.99999400848628,"volume":123.62635213432071},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Nd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.497949362419547],"properties":{"magmom":-0.0},"label":"Nd","xyz":[0.0,0.0,3.6568599506579424]},{"species":[{"element":"Ho","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.9989548383113981],"properties":{"magmom":0.0},"label":"Ho","xyz":[0.0,0.0,7.336163506639991]},{"species":[{"element":"Zn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.199188196953514],"properties":{"magmom":0.0},"label":"Zn","xyz":[2.204444164156394,1.272733818726653,1.462806050285402]},{"species":[{"element":"Zn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.73205271844143],"properties":{"magmom":-0.0},"label":"Zn","xyz":[-1.8798940194380882e-6,2.545471463237336,5.376077308003907]},{"species":[{"element":"Ga","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.791876847234235],"properties":{"magmom":-0.0},"label":"Ga","xyz":[2.204444164156394,1.272733818726653,5.815416078521476]},{"species":[{"element":"Ga","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.267578036639875],"properties":{"magmom":0.0},"label":"Ga","xyz":[-1.8798940194380882e-6,2.545471463237336,1.9650500225756118]}]} | false | -17.829294 | -17.829294 | -0.661609 | 0 | true | -0.028232 | 0 | null | null | 4.066592 | 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-3249298 | Th2SiPtI2 | 156 | Trigonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.25809833013957,-2.3027146e-9,0.0],[-2.129048669062115,3.6876202560137052,0.0],[0.0,0.0,12.933908511728493]],"pbc":[true,true,true],"a":4.25809833013957,"b":4.258097155749003,"c":12.933908511728493,"alpha":90.0,"beta":90.0,"gamma":120.00000144779688,"volume":203.09146039389606},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Th","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.146132275013684],"properties":{"magmom":-0.0},"label":"Th","xyz":[0.0,0.0,1.8900614756377365]},{"species":[{"element":"Th","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.848934279776223],"properties":{"magmom":-0.0},"label":"Th","xyz":[0.0,0.0,10.98003830709579]},{"species":[{"element":"Si","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.9831281488306651],"properties":{"magmom":0.0},"label":"Si","xyz":[2.1290514594546512,1.2292055212626838,12.715689532280816]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.020783030000217],"properties":{"magmom":0.0},"label":"Pt","xyz":[-1.7983771983401497e-6,2.458414732448303,0.2688058086193153]},{"species":[{"element":"I","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.680196615324661],"properties":{"magmom":0.0},"label":"I","xyz":[-1.7983771983401497e-6,2.458414732448303,8.797600792596544]},{"species":[{"element":"I","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.32082565105452604],"properties":{"magmom":0.0},"label":"I","xyz":[2.1290514594546512,1.2292055212626838,4.149529618954969]}]} | false | -44.119163 | -44.119163 | -1.397601 | 0 | true | -0.115777 | 0.5758 | 6.1302 | 5.5544 | 5.641677 | false | false | false | NM | 0 | 0 | 0 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249299 | TbSmSbI2 | 156 | Trigonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.385106588950116,-5.400583000000001e-10,0.0],[-2.192552795365702,3.797612960019859,0.0],[1e-16,0.0,11.306745158566665]],"pbc":[true,true,true],"a":4.385106588950116,"b":4.385105694801068,"c":11.306745158566665,"alpha":90.0,"beta":90.0,"gamma":119.99999922199054,"volume":188.2905217213133},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Tb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.150797486489501],"properties":{"magmom":-0.0},"label":"Tb","xyz":[-1.8598135352418548e-6,2.531743239037525,1.7050287502891874]},{"species":[{"element":"Sm","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.849722686608224],"properties":{"magmom":0.0},"label":"Sm","xyz":[2.192555653397947,1.2658697204422722,9.607597872931796]},{"species":[{"element":"Sb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.004096925264036],"properties":{"magmom":-0.0},"label":"Sb","xyz":[4.096925264036e-19,0.0,0.0463228898941485]},{"species":[{"element":"I","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.673444465384278],"properties":{"magmom":0.0},"label":"I","xyz":[-1.8598135351895902e-6,2.531743239037525,7.614464948547202]},{"species":[{"element":"I","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.321940436253953],"properties":{"magmom":0.0},"label":"I","xyz":[2.192555653397947,1.2658697204422722,3.6400984689612232]}]} | false | -28.683307 | -28.683307 | -1.526699 | 0 | true | -0.069347 | 0 | null | null | 4.478568 | false | true | false | NM | 0 | 0 | 0 | 0 | 0 | [
"Sm2+",
"I-",
"Sb3-",
"Tb3+"
] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-32493 | V(HO)2 | 58 | Orthorhombic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[3.324373,0.0,0.0],[0.0,4.925314,0.0],[0.0,0.0,5.410334]],"pbc":[true,true,true],"a":3.324373,"b":4.925314,"c":5.410334,"alpha":90.0,"beta":90.0,"gamma":90.0,"volume":88.58654132665332},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"V","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.0,0.5],"properties":{"magmom":2.734},"label":"V","xyz":[1.6621865,0.0,2.705167]},{"species":[{"element":"V","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.5,0.0],"properties":{"magmom":2.734},"label":"V","xyz":[0.0,2.462657,0.0]},{"species":[{"element":"H","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.493861999999999,0.666339],"properties":{"magmom":0.007},"label":"H","xyz":[1.6621865,2.432425422667995,3.605116547226]},{"species":[{"element":"H","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.506138,0.333661],"properties":{"magmom":0.007},"label":"H","xyz":[1.6621865,2.492888577332,1.805217452774]},{"species":[{"element":"H","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.006137999999999,0.166339],"properties":{"magmom":0.007},"label":"H","xyz":[0.0,0.030231577331995076,0.8999495472259998]},{"species":[{"element":"H","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.993861999999999,0.833661],"properties":{"magmom":0.007},"label":"H","xyz":[0.0,4.895082422667995,4.510384452774]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.342285,0.231371],"properties":{"magmom":-0.012},"label":"O","xyz":[1.6621865,1.68586110249,1.2517943879139999]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.157715,0.731371],"properties":{"magmom":-0.012},"label":"O","xyz":[0.0,0.77679589751,3.9569613879139998]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.842285,0.268629],"properties":{"magmom":-0.012},"label":"O","xyz":[0.0,4.14851810249,1.453372612086]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.657714999999999,0.768629],"properties":{"magmom":-0.012},"label":"O","xyz":[1.6621865,3.2394528975099957,4.158539612086]}]} | false | -6.090237 | -6.705037 | -1.551005 | 0.125118 | false | null | 1.4013 | 4.3947 | 2.9934 | 3.069283 | false | false | true | FM | 5.999242 | 0.067722 | 2.999621 | 2 | 1 | [
"V2+",
"O2-",
"H+"
] | true | null | null | null | null | null | null | null | true | true | true | true | true |
mp-3249300 | YPaSbN2 | 107 | Tetragonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[3.876958730996799,0.13241901420669,-6.028134128827545],[-0.224052541334425,3.872743913667545,-6.028134127957119],[-0.12077213104275601,-0.13241902146023501,7.166214486515549]],"pbc":[true,true,true],"a":7.168454845523629,"b":7.1684549260470884,"c":7.168455257001079,"alpha":148.2242265298577,"beta":148.22422272837744,"gamma":45.554473341715855,"volume":101.81285286135655},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Y","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33542006134472,0.335420061344329,2.8635e-12],"properties":{"magmom":-0.0},"label":"Y","xyz":[1.2252580182228028,1.3434119949612808,-4.043914238256235]},{"species":[{"element":"Pa","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.673199370040627,0.6731993700407061,0.9999999999994311],"properties":{"magmom":-0.0},"label":"Pa","xyz":[2.3383620146555124,2.563854138495155,-0.9500577089972486]},{"species":[{"element":"Sb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0019877283633600003,0.001987728363332,2.274e-13],"properties":{"magmom":0.0},"label":"Sb","xyz":[0.007260985241864016,0.00796117595147505,-0.02396458636848932]},{"species":[{"element":"N","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7446964201256421,0.24469642012581203,0.499999999998735],"properties":{"magmom":0.0},"label":"N","xyz":[2.771946367642319,0.9800490268448138,-2.3810855036757106]},{"species":[{"element":"N","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.24469642012564202,0.744696420125812,0.499999999998735],"properties":{"magmom":0.0},"label":"N","xyz":[0.7214407314767066,2.8502114765752413,-2.381085503240497]}]} | false | -29.917079 | -29.917079 | -1.690392 | 0 | true | -0.014512 | 0 | null | null | 6.385128 | false | true | false | NM | 0.000003 | 0 | 0.000003 | 0 | 0 | [
"N3-",
"Y3+",
"Sb2-",
"Pa5+"
] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249301 | Yb2CuNiPt2 | 12 | Monoclinic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.38846701447375,0.08073759850706401,2.382900794232072],[1.4881780051316111,4.348168098494502,2.317155123447965],[0.032869804867764,-0.054526059197804004,5.146494090635158]],"pbc":[true,true,true],"a":4.9943345394645595,"b":5.146887161561242,"c":5.146887888826245,"alpha":63.70024839842258,"beta":61.149580427050466,"gamma":61.14957364114803,"volume":97.61265009500696},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Yb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.621688856840783,0.6271542527482551,0.627154252747224],"properties":{"magmom":0.0},"label":"Yb","xyz":[3.6821926441861637,2.7429695300435974,6.162282216359226]},{"species":[{"element":"Yb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.37831114315921605,0.372845747251744,0.37284574725277503],"properties":{"magmom":0.0},"label":"Yb","xyz":[2.2273221802869556,1.6314101077601604,3.6842677919559588]},{"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":"Ni","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.0,0.0],"properties":{"magmom":-0.0},"label":"Ni","xyz":[2.194233507236875,0.040368799253532005,1.191450397116036]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.5,0.0],"properties":{"magmom":0.0},"label":"Pt","xyz":[0.7440890025658056,2.174084049247251,1.1585775617239824]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.5],"properties":{"magmom":0.0},"label":"Pt","xyz":[0.016434902433882,-0.027263029598902002,2.573247045317579]}]} | false | -34.06048 | -34.06048 | -0.916696 | 0.05939 | false | null | 0 | null | null | 6.995809 | false | true | false | NM | 0.000046 | 0 | 0.000046 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | true | true |
mp-3249302 | LaCdNiPt3 | 160 | Trigonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.6488562590475775,-0.0000674555812281,2.429041845232745],[1.4714200033083191,4.409851502970577,2.429040859491526],[-0.00009364217113300003,-0.0000674593439955,5.245198183144342]],"pbc":[true,true,true],"a":5.245198643304922,"b":5.245198432992506,"c":5.245198184414038,"alpha":62.41382614554096,"beta":62.413815318690695,"gamma":62.4138309165979,"volume":107.53262368054382},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"La","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.24983762821850702,0.24983762821842903,0.24983762821846503],"properties":{"magmom":0.0},"label":"La","xyz":[1.5290519100909745,1.1017131334727144,2.5241797342500565]},{"species":[{"element":"Cd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.9960704948665431,0.9960704948659891,0.9960704948662451],"properties":{"magmom":0.0},"label":"Cd","xyz":[6.096133331160239,4.392388584073096,10.063579993752068]},{"species":[{"element":"Ni","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.62709177364416,0.62709177364514,0.627091773644686],"properties":{"magmom":-0.003},"label":"Ni","xyz":[3.837916174319268,2.765296996469756,6.335684331603812]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.626940325485428,0.6269403254844691,0.12312045230071],"properties":{"magmom":-0.0},"label":"Pt","xyz":[3.8370364627142695,2.764663140361553,3.6915191248482273]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6269403254837721,0.12312045230207501,0.626940325484405],"properties":{"magmom":-0.0},"label":"Pt","xyz":[3.0956586444549514,0.5428583280235905,5.110355150515461]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.12312045230160601,0.6269403254839141,0.626940325485499],"properties":{"magmom":-0.0},"label":"Pt","xyz":[1.4948031130435,2.764663138463349,5.1103546538843885]}]} | false | -36.833898 | -36.833898 | -0.784792 | 0 | true | -0.045992 | 0 | null | null | 8.496477 | false | true | false | NM | 0.003316 | 0.000031 | 0.003316 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249303 | TbCdCuPt3 | 160 | Trigonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.375981196559903,-0.0005515699906590001,2.712036042711799],[1.681350111483665,4.386170655719919,2.712036039037737],[1.31125015e-8,3.6322966000000005e-9,5.424074051254191]],"pbc":[true,true,true],"a":5.148237682337828,"b":5.42407325683606,"c":5.424074051254191,"alpha":60.00000710348923,"beta":58.21122983909056,"gamma":58.21124323303444,"volume":104.11362423746654},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Tb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.9955334284984111,0.0014885238337570001,0.001488523833877],"properties":{"magmom":-0.0},"label":"Tb","xyz":[4.358938293389211,0.005979813201513838,2.712033333596261]},{"species":[{"element":"Cd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.24254502250450102,0.252484659165205,0.25248465916516905],"properties":{"magmom":-0.0},"label":"Cd","xyz":[1.485887570944933,1.1073070234111695,2.712033826090299]},{"species":[{"element":"Cu","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.12879722605236302,0.623734591315887,0.62373459131588],"properties":{"magmom":0.0},"label":"Cu","xyz":[1.6123304721981215,2.7357353229680186,5.42407602132457]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6277077743149061,0.623322983512558,0.62332298351253],"properties":{"magmom":0.0},"label":"Pt","xyz":[3.7948615933289895,2.7336547568114513,6.773790523899669]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6277077743149131,0.623322983512551,0.125646258660033],"properties":{"magmom":0.0},"label":"Pt","xyz":[3.794861586803222,2.733654755003711,4.074355114714069]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6277077743149201,0.125646258660047,0.623322983512522],"properties":{"magmom":0.0},"label":"Pt","xyz":[2.958092776515456,0.5507597102285714,5.424073310309386]}]} | false | -36.948282 | -36.948282 | -0.841387 | 0 | true | -0.062707 | 0 | null | null | 7.170444 | false | true | false | NM | 0 | 0 | 0 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249304 | AcPrCu4 | 191 | Hexagonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.323252251347535,0.0,0.0],[-2.161626125673767,3.744044414880273,0.0],[0.0,0.0,7.827341531264362]],"pbc":[true,true,true],"a":4.323252251347535,"b":4.323250639020544,"c":7.827341531264362,"alpha":90.0,"beta":90.0,"gamma":120.000012336863,"volume":126.69686016329435},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Ac","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.5],"properties":{"magmom":0.0},"label":"Ac","xyz":[0.0,0.0,3.913670765632181]},{"species":[{"element":"Pr","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.0],"properties":{"magmom":0.0},"label":"Pr","xyz":[0.0,0.0,0.0]},{"species":[{"element":"Cu","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.23411810125165203],"properties":{"magmom":-0.0},"label":"Cu","xyz":[-2.161626103495561e-6,2.496030857934972,1.832522337147811]},{"species":[{"element":"Cu","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.7658818987483471],"properties":{"magmom":-0.0},"label":"Cu","xyz":[2.1616282872998696,1.2480135569452975,5.994819194116544]},{"species":[{"element":"Cu","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.7656011787634891],"properties":{"magmom":-0.0},"label":"Cu","xyz":[-2.161626103495561e-6,2.496030857934972,5.992621902920409]},{"species":[{"element":"Cu","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.23439882123651],"properties":{"magmom":-0.0},"label":"Cu","xyz":[2.1616282872998696,1.2480135569452975,1.8347196283439458]}]} | false | -23.749759 | -23.749759 | -0.178322 | 0 | true | -0.052575 | 0 | null | null | 5.82071 | false | true | false | NM | 0.000011 | 0 | 0.000011 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249305 | CeTmSe2 | 166 | Trigonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[3.919456757392674,0.025845816120105003,6.253679637312964],[1.8172270721481572,3.472821380346121,6.253679630708938],[0.04237889373259,0.025845816969173003,7.380302296628431]],"pbc":[true,true,true],"a":7.3804687036410375,"b":7.380468243619858,"c":7.380469224006539,"alpha":31.74798296941134,"beta":31.747988105918445,"gamma":31.747989083317005,"volume":98.85757140730186},"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":1.134},"label":"Ce","xyz":[0.0,0.0,0.0]},{"species":[{"element":"Tm","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.5,0.5],"properties":{"magmom":-0.06},"label":"Tm","xyz":[2.889531361636711,1.7622565067176996,9.943830782325167]},{"species":[{"element":"Se","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.24243944915217902,0.24243944915227902,0.24243944915197302],"properties":{"magmom":-0.008},"label":"Se","xyz":[1.4010727832464729,0.8544809935073067,4.821553714657894]},{"species":[{"element":"Se","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.75756055084782,0.757560550847721,0.7575605508480261],"properties":{"magmom":-0.008},"label":"Se","xyz":[4.3779899400269455,2.6700320199280925,15.066107849992425]}]} | false | -25.677115 | -25.677115 | -2.030915 | 0 | true | -0.006164 | 0 | null | null | 6.855832 | false | true | true | FiM | 1.293355 | 0.013083 | 1.293355 | 2 | 2 | [
"Ce2+",
"Se2-",
"Tm2+"
] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249306 | LaPrSnI2 | 156 | Trigonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.611412830766997,1e-16,0.0],[-2.305706415383498,3.9936002968900692,0.0],[0.0,1e-16,11.30405293740495]],"pbc":[true,true,true],"a":4.611412830766997,"b":4.6114125173596285,"c":11.30405293740495,"alpha":90.0,"beta":90.0,"gamma":120.00000224821189,"volume":208.17701750662383},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"La","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.8423798978282591],"properties":{"magmom":0.001},"label":"La","xyz":[2.305708721089889,1.3311987677632697,9.522306958456413]},{"species":[{"element":"Pr","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.15814976734938502],"properties":{"magmom":-0.0},"label":"Pr","xyz":[-2.305706391883532e-6,2.6624015291267957,1.7877333421557253]},{"species":[{"element":"Sn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.00203321043061],"properties":{"magmom":-0.0},"label":"Sn","xyz":[0.0,2.03321043061e-19,0.022983518340499356]},{"species":[{"element":"I","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.665824057259492],"properties":{"magmom":-0.0},"label":"I","xyz":[-2.305706391883532e-6,2.6624015291267957,7.526510390259043]},{"species":[{"element":"I","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.331613067132259],"properties":{"magmom":-0.0},"label":"I","xyz":[2.305708721089889,1.3311987677632697,3.7485716655982775]}]} | false | -28.005147 | -28.005147 | -1.402689 | 0 | true | -0.064236 | 0.3304 | 4.3109 | 3.9805 | 4.002603 | false | false | false | NM | 0 | 0 | 0 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249307 | AcInPt4 | 216 | Cubic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.771125178396514,0.0,2.75461053606899],[1.590375059465504,4.498260033410879,2.75461053606899],[0.0,0.0,5.509221072137981]],"pbc":[true,true,true],"a":5.5092208771614395,"b":5.509220939785754,"c":5.509221072137981,"alpha":59.99999920530026,"beta":59.99999882927691,"gamma":59.99999959554129,"volume":118.23758982698189},"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":"In","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.25,0.25,0.25],"properties":{"magmom":0.0},"label":"In","xyz":[1.5903750594655044,1.1245650083527197,2.7546105360689905]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.623993748547484,0.6239937485475481,0.12801875435721402],"properties":{"magmom":0.0},"label":"Pt","xyz":[3.9695363798093335,2.806886140189673,4.143003127513963]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6239937485475481,0.128018754357349,0.6239937485475481],"properties":{"magmom":0.0},"label":"Pt","xyz":[3.1807501189309986,0.5758616462527077,5.5092210721379615]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.128018754357469,0.6239937485475481,0.623993748547484],"properties":{"magmom":0.0},"label":"Pt","xyz":[1.6031775971742883,2.806886140189673,5.509221072137939]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.623993748547484,0.6239937485475481,0.623993748547739],"properties":{"magmom":0.0},"label":"Pt","xyz":[3.9695363798093335,2.806886140189673,6.875439016761916]}]} | false | -50.380869 | -50.380869 | -0.853046 | 0 | true | -0.559753 | 0 | null | null | 9.687163 | 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-3249308 | KNd(DyTe2)2 | 187 | Hexagonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.40261354910993,-4.7819527e-9,0.0],[-2.20130578282361,3.812775113217454,0.0],[0.0,0.0,15.739137859792889]],"pbc":[true,true,true],"a":4.40261354910993,"b":4.402612998375287,"c":15.739137859792889,"alpha":90.0,"beta":90.0,"gamma":119.99998929720265,"volume":264.1999281711517},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"K","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.75],"properties":{"magmom":0.0},"label":"K","xyz":[2.2013093064385028,1.270923763626155,11.804353394844666]},{"species":[{"element":"Nd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.25],"properties":{"magmom":-0.0},"label":"Nd","xyz":[-1.5401521851693407e-6,2.5418513448093423,3.934784464948222]},{"species":[{"element":"Dy","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.015974190886069002],"properties":{"magmom":0.0},"label":"Dy","xyz":[0.0,0.0,0.25141999255448716]},{"species":[{"element":"Dy","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.48402580911393006],"properties":{"magmom":0.0},"label":"Dy","xyz":[0.0,0.0,7.618148937341942]},{"species":[{"element":"Te","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.5945287659060341],"properties":{"magmom":-0.0},"label":"Te","xyz":[-1.5401521851693407e-6,2.5418513448093423,9.357370208207605]},{"species":[{"element":"Te","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.12573574567099402],"properties":{"magmom":0.0},"label":"Te","xyz":[2.2013093064385028,1.270923763626155,1.9789722350196317]},{"species":[{"element":"Te","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.374264254329006],"properties":{"magmom":0.0},"label":"Te","xyz":[2.2013093064385028,1.270923763626155,5.890596694876813]},{"species":[{"element":"Te","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.905471234093965],"properties":{"magmom":-0.0},"label":"Te","xyz":[-1.5401521851693407e-6,2.5418513448093423,14.251336581481715]}]} | false | -26.756572 | -26.756572 | -1.622974 | 0 | true | -0.032672 | 0 | null | null | 5.282129 | false | true | false | NM | 0.00001 | 0 | 0.00001 | 0 | 0 | [
"K+",
"Nd3+",
"Dy2+",
"Te2-"
] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249309 | TbY(H2Cl)2 | 160 | Trigonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[3.482158407027466,-0.10549338949542501,9.619986368922456],[1.600686923262175,3.094246293872723,9.619986359641066],[-0.17940859856528202,-0.10549338646931701,10.229240414269947]],"pbc":[true,true,true],"a":10.231358353860603,"b":10.231358478380463,"c":10.231357473608353,"alpha":20.902472410312587,"beta":20.902471646352865,"gamma":20.902474871235928,"volume":119.37573186400861},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Tb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.11266691093751201,0.112666910939857,0.11266691091958501],"properties":{"magmom":-0.0},"label":"Tb","xyz":[0.5524550695478831,0.3248479433230195,3.3202052124013566]},{"species":[{"element":"Y","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8872893714254101,0.887289371422426,0.887289371448261],"properties":{"magmom":-0.0},"label":"Y","xyz":[4.350767295507097,2.5582855252892593,26.147719606111185]},{"species":[{"element":"H","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.813491730360681,0.8134917303617251,0.813491730352623],"properties":{"magmom":0.0},"label":"H","xyz":[3.9889052316076876,2.345507774305947,23.97296119185894]},{"species":[{"element":"H","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.18658050712117102,0.18658050711866903,0.186580507140362],"properties":{"magmom":0.0},"label":"H","xyz":[0.9148857120342604,0.5379600230034479,5.498380732823987]},{"species":[{"element":"H","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.546837504021375,0.546837504018981,0.5468375040397],"properties":{"magmom":0.0},"label":"H","xyz":[2.681383103495757,1.5766744382093325,16.114870960665375]},{"species":[{"element":"H","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.453213245138577,0.45321324514134104,0.453213245117403],"properties":{"magmom":-0.0},"label":"H","xyz":[2.222302473524718,1.3067314026985515,13.355837719953957]},{"species":[{"element":"Cl","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.720409247932693,0.7204092479378801,0.7204092478929951],"properties":{"magmom":0.0},"label":"Cl","xyz":[3.532481168202513,2.0771268209111056,21.229893677040714]},{"species":[{"element":"Cl","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.279511483062563,0.279511483059103,0.27951148308905904],"properties":{"magmom":-0.0},"label":"Cl","xyz":[1.3705668729774305,0.805904143891209,8.236983470477906]}]} | false | -11.085025 | -11.085025 | -1.376855 | 0 | true | -0.000455 | 2.0963 | 4.6864 | 2.5901 | 2.736194 | false | false | false | NM | 0 | 0 | 0 | 0 | 0 | [
"Y3+",
"Cl-",
"H-",
"Tb3+"
] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249310 | La2GePtI2 | 156 | Trigonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.445572678921441,9e-16,1e-16],[-2.22278633946072,3.849978490855969,0.0],[2e-16,2e-16,11.88225013649348]],"pbc":[true,true,true],"a":4.445572678921441,"b":4.445572346835308,"c":11.88225013649348,"alpha":90.0,"beta":90.0,"gamma":120.0000024710701,"volume":203.36897911172792},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"La","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.15983233986234702],"properties":{"magmom":-0.0},"label":"La","xyz":[3.1966467972469405e-17,3.1966467972469405e-17,1.8991678421454452]},{"species":[{"element":"La","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.8421850914227701],"properties":{"magmom":-0.0},"label":"La","xyz":[1.6843701828455402e-16,1.6843701828455402e-16,10.007053917510984]},{"species":[{"element":"Ge","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.011148330472771],"properties":{"magmom":-0.0},"label":"Ge","xyz":[2.2227885622470356,1.283324880292505,0.1324672512817577]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.9904396720134231],"properties":{"magmom":0.0},"label":"Pt","xyz":[-2.22278631646741e-6,2.566653610563461,11.768651927970055]},{"species":[{"element":"I","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.6590703339838121],"properties":{"magmom":0.0},"label":"I","xyz":[2.2227885622470356,1.2833248802925052,7.831238565937955]},{"species":[{"element":"I","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.337324232244874],"properties":{"magmom":0.0},"label":"I","xyz":[-2.2227863165980333e-6,2.566653610563461,4.008170904634213]}]} | false | -30.560483 | -30.560483 | -1.566046 | 0 | true | -0.089755 | 0.3248 | 6.1161 | 5.7913 | 5.805438 | false | false | false | NM | 0 | 0 | 0 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249311 | Pa2AlSi2 | 71 | Orthorhombic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.942881546004485,0.098075589998022,-2.662222049796127],[-0.7681072945143651,3.663406749684508,-4.185520611939108],[-0.10234162527257101,-0.09807558715883401,5.613290883139559]],"pbc":[true,true,true],"a":5.615079967516566,"b":5.61507975210391,"c":5.61508033493713,"alpha":138.94433970242483,"beta":119.3615069311719,"gamma":75.85419266157439,"volume":98.88143290865018},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Pa","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7181223708880601,0.21812237088806002,0.500000000000007],"properties":{"magmom":0.0},"label":"Pa","xyz":[3.3308816180234078,0.8204634474047139,-0.0181114479372491]},{"species":[{"element":"Pa","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.28187762911193903,0.781877629111939,0.49999999999999206],"properties":{"magmom":0.0},"label":"Pa","xyz":[0.7415510081941377,2.8429433051189785,-1.216340330658426]},{"species":[{"element":"Al","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.0],"properties":{"magmom":-0.0},"label":"Al","xyz":[0.0,0.0,0.0]},{"species":[{"element":"Si","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.291975951799933,0.49999999999986505,0.7919759517997981],"properties":{"magmom":-0.0},"label":"Si","xyz":[0.9780967906879224,1.7826655820913306,1.5755262670425991]},{"species":[{"element":"Si","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.708024048200066,0.500000000000135,0.208024048200201],"properties":{"magmom":-0.0},"label":"Si","xyz":[3.0943358355296224,1.8807411704323655,-2.809978045638278]}]} | false | -36.08254 | -36.08254 | -0.484208 | 0 | true | -0.053472 | 0 | null | null | 10.705725 | false | true | false | NM | 0.000071 | 0.000001 | 0.000071 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249312 | Ce2MnIrRh2 | 12 | Monoclinic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.685396364205267,-0.032880632078607,2.201381019918771],[1.387067278525753,4.453626403001427,2.196049349785331],[-0.034873447610142,-0.031643256526389,5.15549643190363]],"pbc":[true,true,true],"a":5.176881167318063,"b":5.155712998156592,"c":5.155711484596754,"alpha":65.24079833136149,"beta":65.2201736898832,"gamma":65.22016544590016,"volume":108.38828893576238},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Ce","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6250839125833281,0.626482901286415,0.6264829012877581],"properties":{"magmom":-0.839},"label":"Ce","xyz":[3.7758922056346855,2.749743676895361,5.981665591276832]},{"species":[{"element":"Ce","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.37491608741667104,0.373517098713584,0.37351709871224104],"properties":{"magmom":-0.839},"label":"Ce","xyz":[2.2616979894861866,1.6393588375010655,3.5712612103308903]},{"species":[{"element":"Mn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.0],"properties":{"magmom":3.58},"label":"Mn","xyz":[0.0,0.0,0.0]},{"species":[{"element":"Ir","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.0,0.0],"properties":{"magmom":0.1},"label":"Ir","xyz":[2.3426981821026334,-0.0164403160393035,1.1006905099593856]},{"species":[{"element":"Rh","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.5,0.0],"properties":{"magmom":0.17500000000000002},"label":"Rh","xyz":[0.6935336392628765,2.2268132015007134,1.0980246748926654]},{"species":[{"element":"Rh","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.5],"properties":{"magmom":0.17500000000000002},"label":"Rh","xyz":[-0.017436723805071,-0.0158216282631945,2.577748215951815]}]} | false | -30.274876 | -30.274876 | -0.775476 | 0 | true | -0.028273 | 0 | null | null | 9.842746 | false | true | true | FiM | 1.952735 | 0.018016 | 1.952735 | 3 | 2 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249313 | Th2CuSi4Rh | 38 | Orthorhombic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[8.580533141680927,0.007305700351362,0.0],[-7.542105856991471,4.091731437972849,0.0],[0.0,0.0,4.1702588319641]],"pbc":[true,true,true],"a":8.580536251816806,"b":8.580537682369352,"c":4.1702588319641,"alpha":90.0,"beta":90.0,"gamma":151.4705697767564,"volume":146.64438934561875},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Th","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.601363751523123,0.39863624847892903,0.25],"properties":{"magmom":0.0},"label":"Th","xyz":[2.153464815687693,1.6355058535875893,1.042564707991025]},{"species":[{"element":"Th","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.391030083077723,0.6089699169170181,0.75],"properties":{"magmom":-0.0},"label":"Th","xyz":[-1.2376689898688025,2.494598102444411,3.127694123973075]},{"species":[{"element":"Cu","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8244887371976191,0.175511262803169,0.25],"properties":{"magmom":0.0},"label":"Cu","xyz":[5.750828411311077,0.72416841938708,1.042564707991025]},{"species":[{"element":"Si","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.9641510293000191,0.035848970698509,0.25],"properties":{"magmom":0.0},"label":"Si","xyz":[8.002553128622251,0.15372815893957997,1.042564707991025]},{"species":[{"element":"Si","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.037211000542136004,0.9627889994597391,0.75],"properties":{"magmom":0.0},"label":"Si","xyz":[-6.942166328485351,3.9397458696435743,3.127694123973075]},{"species":[{"element":"Si","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.25179865754512304,0.7482013424557431,0.25],"properties":{"magmom":0.0},"label":"Si","xyz":[-3.482447001047647,3.0632785204005537,1.042564707991025]},{"species":[{"element":"Si","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.74888977213201,0.25111022786769804,0.75],"properties":{"magmom":-0.0},"label":"Si","xyz":[4.531973588893162,1.0329467780341821,3.127694123973075]},{"species":[{"element":"Rh","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.18106796868222802,0.818932031319192,0.75],"properties":{"magmom":-0.0},"label":"Rh","xyz":[-4.622812363715699,3.3521727664341263,3.127694123973075]}]} | false | -27.956829 | -27.956829 | -0.828253 | 0 | true | -0.008428 | 0 | null | null | 9.143303 | 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-3249314 | Ho2MoRuC3 | 8 | Monoclinic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.565212163772132,-0.033799034084665,2.230600544492338],[4.581207385994657,3.159949096454146,2.230600545009656],[0.041998924783181006,0.012940534059412001,5.658166011705989]],"pbc":[true,true,true],"a":5.995690751831007,"b":5.9956916362560495,"c":5.6583366799024555,"alpha":67.73447431428015,"beta":67.73447389561231,"gamma":32.36428149666303,"volume":100.05181293073542},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Ho","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.390375360143885,0.390375360144922,0.820448435448597],"properties":{"magmom":-0.0},"label":"Ho","xyz":[3.995370138044801,1.2309889973875054,6.383776433803553]},{"species":[{"element":"Ho","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6084222358849231,0.608422235885633,0.168762160217674],"properties":{"magmom":-0.0},"label":"Ho","xyz":[6.180395097972085,1.9042030831431116,3.669178260614365]},{"species":[{"element":"Mo","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.841855782413908,0.841855782416523,0.323834664630247],"properties":{"magmom":0.0},"label":"Mo","xyz":[8.555422676502664,2.635958100214876,5.587998226537384]},{"species":[{"element":"Ru","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.15884188685449602,0.158841886851306,0.681399081536],"properties":{"magmom":-0.0},"label":"Ru","xyz":[1.6402944548604477,0.5053812425096572,4.5640947222413875]},{"species":[{"element":"C","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7529076876508041,0.75290768765268,0.730482111470365],"properties":{"magmom":-0.0},"label":"C","xyz":[7.669996744413522,2.3631552433572245,7.492061651727223]},{"species":[{"element":"C","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.24625041471956802,0.24625041471660503,0.27117091377214503],"properties":{"magmom":-0.0},"label":"C","xyz":[2.509948908846133,0.7733248457703156,2.6329026660994517]},{"species":[{"element":"C","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0013466323323990002,0.0013466323323350002,0.0039026329249620003],"properties":{"magmom":-0.0},"label":"C","xyz":[0.013827403010179911,0.00426027690400251,0.02808934260049899]}]} | false | -21.466213 | -21.466213 | -0.451797 | 0 | true | -0.016569 | 0 | null | null | 6.834328 | false | true | false | NM | 0 | 0 | 0 | 0 | 0 | [
"Ho3+",
"C4-",
"Mo3+",
"Ru3+"
] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249315 | RbPr(DyTe2)2 | 187 | Hexagonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.426993873113827,1e-16,0.0],[-2.213496936556913,3.833890754571231,0.0],[0.0,0.0,16.039539648687864]],"pbc":[true,true,true],"a":4.426993873113827,"b":4.426995257071505,"c":16.039539648687864,"alpha":90.0,"beta":90.0,"gamma":119.99998965868575,"volume":272.2328651623311},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Rb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.75],"properties":{"magmom":0.0},"label":"Rb","xyz":[2.2134991500538255,1.277962306893504,12.029654736515898]},{"species":[{"element":"Pr","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.25],"properties":{"magmom":0.0},"label":"Pr","xyz":[-2.213496914014273e-6,2.5559284476777235,4.009884912171966]},{"species":[{"element":"Dy","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.019506843688212],"properties":{"magmom":0.0},"label":"Dy","xyz":[0.0,0.0,0.312880792757833]},{"species":[{"element":"Dy","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.480493156311787],"properties":{"magmom":0.0},"label":"Dy","xyz":[0.0,0.0,7.706889031586083]},{"species":[{"element":"Te","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.587884359805336],"properties":{"magmom":-0.0},"label":"Te","xyz":[-2.213496914014273e-6,2.5559284476777235,9.42939449794117]},{"species":[{"element":"Te","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.126537597126393],"properties":{"magmom":0.0},"label":"Te","xyz":[2.2134991500538255,1.277962306893504,2.0296048061584724]},{"species":[{"element":"Te","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.37346240287360605],"properties":{"magmom":0.0},"label":"Te","xyz":[2.2134991500538255,1.277962306893504,5.9901650181854444]},{"species":[{"element":"Te","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.9121156401946631],"properties":{"magmom":-0.0},"label":"Te","xyz":[-2.213496914014273e-6,2.5559284476777235,14.629914975090612]}]} | false | -27.7448 | -27.7448 | -1.623885 | 0 | true | -0.066474 | 0 | null | null | 5.247948 | false | true | false | NM | 0.000002 | 0 | 0.000002 | 0 | 0 | [
"Te2-",
"Rb+",
"Pr3+",
"Dy2+"
] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249316 | ThSi2IrRu | 119 | Tetragonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[3.9255804723054872,0.061673344587407,-4.242182442084035],[-0.5576654003343501,3.886257903818267,-4.242182441033766],[-0.05261304125802101,-0.061673342332440005,5.779579646767974]],"pbc":[true,true,true],"a":5.780146842244133,"b":5.780147321369519,"c":5.78014814919129,"alpha":137.74388374284686,"beta":137.74389481898328,"gamma":61.2954742452066,"volume":86.34441913392264},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Th","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.0],"properties":{"magmom":-0.0},"label":"Th","xyz":[0.0,0.0,0.0]},{"species":[{"element":"Si","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6285336012237861,0.6285336012208801,1.12266e-11],"properties":{"magmom":-0.0},"label":"Si","xyz":[2.1168477888029154,2.48140744493235,-5.332708414005445]},{"species":[{"element":"Si","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.371466398776213,0.371466398779119,0.9999999999887731],"properties":{"magmom":-0.0},"label":"Si","xyz":[1.1984542419101976,1.4048504611408803,2.627923177655625]},{"species":[{"element":"Ir","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.25,0.75,0.5],"properties":{"magmom":0.0},"label":"Ir","xyz":[0.5368395471965988,2.899275092844332,-1.3523926179123453]},{"species":[{"element":"Ru","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.75,0.25,0.5],"properties":{"magmom":0.0},"label":"Ru","xyz":[2.7784624835165173,0.986982813228902,-1.3523926184374808]}]} | false | -34.861822 | -34.861822 | -1.100486 | 0 | true | -0.008076 | 0 | null | null | 9.822414 | 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-3249317 | Sm2GePdI2 | 156 | Trigonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.358220661558555,-2.9402729000000003e-9,0.0],[-2.179109835823098,3.774328819844877,0.0],[0.0,2e-16,11.542926437001332]],"pbc":[true,true,true],"a":4.358220661558555,"b":4.358219558132953,"c":11.542926437001332,"alpha":90.0,"beta":90.0,"gamma":120.00000090024217,"volume":189.87372748022256},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Sm","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.156109948952163],"properties":{"magmom":-0.0},"label":"Sm","xyz":[0.0,3.12219897904326e-17,1.801965656838851]},{"species":[{"element":"Sm","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.841473720773606],"properties":{"magmom":-0.0},"label":"Sm","xyz":[0.0,1.682947441547212e-16,9.713069257559535]},{"species":[{"element":"Ge","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.9889015601811901],"properties":{"magmom":0.0},"label":"Ge","xyz":[2.1791126748748124,1.2581083465451812,11.414817962607323]},{"species":[{"element":"Pd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.009657536413953],"properties":{"magmom":-0.0},"label":"Pd","xyz":[-1.8491393573551678e-6,2.5162204703594195,0.11147623238892113]},{"species":[{"element":"I","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.665892597248102],"properties":{"magmom":-0.0},"label":"I","xyz":[-1.8491393573551678e-6,2.5162204703594195,7.686349264978597]},{"species":[{"element":"I","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.337964636430975],"properties":{"magmom":-0.0},"label":"I","xyz":[2.1791126748748124,1.258108346545181,3.901100936630645]}]} | false | -25.613136 | -25.613136 | -1.377195 | 0 | true | -0.077989 | 0.084 | 4.5894 | 4.5054 | 4.556876 | false | false | false | NM | 0 | 0 | 0 | 0 | 0 | [
"Sm2+",
"I-",
"Ge4-",
"Pd2+"
] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249318 | Dy2ThSb3 | 164 | Trigonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.425040593719975,0.0,0.0],[-2.212520296859987,3.832197909084993,0.0],[0.0,0.0,10.803080522720384]],"pbc":[true,true,true],"a":4.425040593719975,"b":4.425040890027209,"c":10.803080522720384,"alpha":90.0,"beta":90.0,"gamma":119.99999778493248,"volume":183.19465652593198},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Dy","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.660109890972648],"properties":{"magmom":-0.0},"label":"Dy","xyz":[-2.212520274347169e-6,2.5547998834559498,7.1312203060216905]},{"species":[{"element":"Dy","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.339890109027358],"properties":{"magmom":-0.0},"label":"Dy","xyz":[2.2125225093802596,1.2773980256290396,3.671860216698759]},{"species":[{"element":"Th","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.0],"properties":{"magmom":0.0},"label":"Th","xyz":[0.0,0.0,0.0]},{"species":[{"element":"Sb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.175004009390718],"properties":{"magmom":0.0},"label":"Sb","xyz":[-2.212520274347169e-6,2.5547998834559498,1.8905824052468407]},{"species":[{"element":"Sb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.8249959906092811],"properties":{"magmom":0.0},"label":"Sb","xyz":[2.2125225093802596,1.2773980256290396,8.912498117473532]},{"species":[{"element":"Sb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.5],"properties":{"magmom":0.0},"label":"Sb","xyz":[0.0,0.0,5.401540261360192]}]} | false | -37.039374 | -37.039374 | -1.279738 | 0 | true | -0.007696 | 0 | null | null | 6.278376 | false | true | false | NM | 0.000008 | 0 | 0.000008 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249319 | LuURe2C3 | 8 | Monoclinic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.599778862464495,-0.05977329355115701,2.297929082497432],[4.73743531035937,2.986269968189209,2.29792908528637],[-0.026333338000023004,-0.007455503077099,5.611990631586643]],"pbc":[true,true,true],"a":6.053228413277794,"b":6.05322886761715,"c":5.612057365907141,"alpha":67.95787528033694,"beta":67.95787101895046,"gamma":30.317368709909903,"volume":95.63449654939173},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Lu","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.607931754491559,0.607931754491538,0.183985672263553],"properties":{"magmom":0.0},"label":"Lu","xyz":[6.279475791744845,1.7777385521806583,3.82649398842435]},{"species":[{"element":"U","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.39044211058919104,0.39044211058968104,0.818288927145829],"properties":{"magmom":-0.017},"label":"U","xyz":[4.014535440351962,1.1365267826651015,6.386646356072683]},{"species":[{"element":"Re","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.849926313870979,0.8499263138698221,0.32834108809183205],"properties":{"magmom":-0.012},"label":"Re","xyz":[8.777224020745532,2.4848585832347356,5.748787901951985]},{"species":[{"element":"Re","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.152849751607419,0.152849751608023,0.666489635514921],"properties":{"magmom":0.013000000000000001},"label":"Re","xyz":[1.562489721786154,0.44234527427173154,4.442809369929403]},{"species":[{"element":"C","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.751069199801293,0.751069199800923,0.744110141502424],"properties":{"magmom":-0.002},"label":"C","xyz":[7.744368273090224,2.1924538001907696,7.627746659456982]},{"species":[{"element":"C","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.24601351276993402,0.24601351277032502,0.257453364993161],"properties":{"magmom":0.003},"label":"C","xyz":[2.536314764433791,0.7180382826834895,2.5754690844618606]},{"species":[{"element":"C","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.001767356869621,0.001767356869685,0.001332170488282],"properties":{"magmom":-0.005},"label":"C","xyz":[0.01823446598564543,0.005162232000861088,0.01559864980469834]}]} | false | -36.446422 | -36.446422 | -0.348586 | 0.028766 | false | null | 0 | null | null | 8.0291 | false | true | false | NM | 0.003021 | 0.000032 | 0.003021 | 0 | 0 | [
"Re3+",
"Lu3+",
"C4-",
"U3+"
] | true | null | null | null | null | null | null | null | false | false | false | true | true |
mp-3249320 | SmY3(CI)2 | 156 | Trigonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[3.798986277870818,0.0,0.0],[-1.899493138935409,3.290020325321542,0.0],[0.0,0.0,14.819587527283398]],"pbc":[true,true,true],"a":3.798986277870818,"b":3.798987750163398,"c":14.819587527283398,"alpha":90.0,"beta":90.0,"gamma":119.99998717999463,"volume":185.22620208452744},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Sm","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.914538269160544],"properties":{"magmom":-0.0},"label":"Sm","xyz":[-1.8994931198594622e-6,2.193347980221123,13.553079926874945]},{"species":[{"element":"Y","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.5829068022058761],"properties":{"magmom":0.0},"label":"Y","xyz":[-1.8994931198594622e-6,2.193347980221123,8.638438375538852]},{"species":[{"element":"Y","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.41442952770162106],"properties":{"magmom":0.0},"label":"Y","xyz":[1.8994950384285272,1.0966723451004154,6.141674659664893]},{"species":[{"element":"Y","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.08727920025767501],"properties":{"magmom":-0.0},"label":"Y","xyz":[1.8994950384285272,1.0966723451004154,1.2934417475299105]},{"species":[{"element":"C","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.006049270028583],"properties":{"magmom":0.0},"label":"C","xyz":[0.0,0.0,0.08964768666475792]},{"species":[{"element":"C","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.49829333438134404],"properties":{"magmom":-0.0},"label":"C","xyz":[0.0,0.0,7.384501683126222]},{"species":[{"element":"I","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.251744684794445],"properties":{"magmom":-0.0},"label":"I","xyz":[-1.8994931198594622e-6,2.193347980221123,3.7307523908396476]},{"species":[{"element":"I","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.744758911469894],"properties":{"magmom":-0.0},"label":"I","xyz":[1.8994950384285272,1.0966723451004154,11.037019875252401]}]} | false | -20.896602 | -20.896602 | -0.935906 | 0 | true | -0.029051 | 0 | null | null | 6.022872 | false | true | false | NM | 0.000395 | 0.000002 | 0.000395 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249321 | NaTbFePt3 | 160 | Trigonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.682081165893817,-9.299391999999999e-10,2.886164679471274],[1.451484609232782,4.451411940256779,2.88616467946922],[0.07122338594074801,0.051689675856073,5.125293426771519]],"pbc":[true,true,true],"a":5.500166415759175,"b":5.500165669297238,"c":5.126048897913704,"alpha":57.55486329754443,"beta":57.55486346078716,"gamma":59.99999550215932,"volume":105.42371031337193},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Na","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.251645109546288,0.251645109546288,0.24506567136113902],"properties":{"magmom":-0.005},"label":"Na","xyz":[1.5609362382832788,1.132843410223665,2.70861192842243]},{"species":[{"element":"Tb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.002011372174074,0.002011372174138,0.9939658834776561],"properties":{"magmom":-0.115},"label":"Tb","xyz":[0.08313049925890083,0.06033122043934295,5.105977111675524]},{"species":[{"element":"Fe","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6242737643652131,0.624273764365142,0.12717770690451102],"properties":{"magmom":3.182},"label":"Fe","xyz":[3.8380822223217343,2.7854734625495166,4.25533684329098]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.623247807600883,0.12557513871269702,0.6279302460855191],"properties":{"magmom":0.161},"label":"Pt","xyz":[3.1450905210572775,0.5914441821659029,5.379553101560744]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.125575138712356,0.6232478076008401,0.6279302460856611],"properties":{"magmom":0.161},"label":"Pt","xyz":[1.537310910601147,2.8067902432568546,5.379553101559342]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.623247807601181,0.62324780760089,0.6279302460855191],"properties":{"magmom":0.161},"label":"Pt","xyz":[3.8674547403856874,2.8067902427942637,6.815918380443887]}]} | false | -34.730655 | -34.730655 | -0.786129 | 0 | true | -0.048791 | 0 | null | null | 7.109928 | false | true | true | FiM | 3.500605 | 0.033205 | 3.500605 | 2 | 2 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249322 | La3PbN | 221 | Cubic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.125514110690037,0.0,0.0],[0.0,5.125514110690037,0.0],[0.0,0.0,5.125514110690037]],"pbc":[true,true,true],"a":5.125514110690037,"b":5.125514110690037,"c":5.125514110690037,"alpha":90.0,"beta":90.0,"gamma":90.0,"volume":134.65184250467806},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"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":[2.5627570553450183,2.5627570553450183,0.0]},{"species":[{"element":"La","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.0,0.5],"properties":{"magmom":-0.0},"label":"La","xyz":[2.5627570553450183,0.0,2.5627570553450183]},{"species":[{"element":"La","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.5,0.5],"properties":{"magmom":-0.0},"label":"La","xyz":[0.0,2.5627570553450183,2.5627570553450183]},{"species":[{"element":"Pb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.0],"properties":{"magmom":-0.0},"label":"Pb","xyz":[0.0,0.0,0.0]},{"species":[{"element":"N","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.5,0.5],"properties":{"magmom":0.0},"label":"N","xyz":[2.5627570553450183,2.5627570553450183,2.5627570553450183]}]} | false | -32.048374 | -32.048374 | -1.118729 | 0 | true | -0.090303 | 0 | null | null | 8.98355 | false | true | false | NM | 0.000245 | 0.000002 | 0.000245 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249323 | TbLu(SI)2 | 25 | Orthorhombic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.150442041976405,0.0,0.0],[0.0,5.276447736887577,0.0],[0.0,0.0,10.060466382374404]],"pbc":[true,true,true],"a":4.150442041976405,"b":5.276447736887577,"c":10.060466382374404,"alpha":90.0,"beta":90.0,"gamma":90.0,"volume":220.3200942088877},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Tb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.11214341213869901],"properties":{"magmom":-0.0},"label":"Tb","xyz":[0.0,0.0,1.1282150278261391]},{"species":[{"element":"Lu","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.5,0.888812306360172],"properties":{"magmom":-0.0},"label":"Lu","xyz":[2.0752210209882027,2.6382238684437884,8.94186632837717]},{"species":[{"element":"S","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.0,0.9330306171020261],"properties":{"magmom":0.0},"label":"S","xyz":[2.0752210209882027,0.0,9.386723157080977]},{"species":[{"element":"S","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.5,0.057388212456338],"properties":{"magmom":0.0},"label":"S","xyz":[0.0,2.6382238684437884,0.5773521821615485]},{"species":[{"element":"I","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.0,0.33372226346606404],"properties":{"magmom":-0.0},"label":"I","xyz":[2.0752210209882027,0.0,3.357401612650231]},{"species":[{"element":"I","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.5,0.6749031884766901],"properties":{"magmom":-0.0},"label":"I","xyz":[0.0,2.6382238684437884,6.789840839027037]}]} | false | -24.476574 | -24.476574 | -2.061282 | 0 | true | -0.045451 | 3.1543 | 3.5988 | 0.4445 | 0.518235 | true | false | false | NM | 0 | 0 | 0 | 0 | 0 | [
"I-",
"Lu3+",
"S2-",
"Tb3+"
] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249324 | PmPrCuSi3 | 8 | Monoclinic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.719592968534028,0.36132111316318505,-1.324858950058693],[-0.910288621690546,3.887311669777373,-4.319436227349532],[-0.39939814335848506,-0.36186564393853804,5.857207197082484]],"pbc":[true,true,true],"a":5.882138039018805,"b":5.881950927617994,"c":5.8819505073348,"alpha":139.589133784475,"beta":107.10308394057368,"gamma":86.81759149813085,"volume":121.34461684503704},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Pm","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5027708946281491,0.503445061655007,0.999325832971472],"properties":{"magmom":0.0},"label":"Pm","xyz":[2.018235680128898,1.7770879165237534,3.0125591037409793]},{"species":[{"element":"Pr","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.9959842509033261,0.9963914796252311,0.9995927712796371],"properties":{"magmom":-0.0},"label":"Pr","xyz":[4.390385194621389,3.8714360827878815,0.23143387144831537]},{"species":[{"element":"Cu","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.421138399219152,0.7515714179233081,0.669566981294877],"properties":{"magmom":0.0},"label":"Cu","xyz":[1.4571695076468012,2.831465251919775,0.11747875433187054]},{"species":[{"element":"Si","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.572612152266167,0.248940581341926,0.32367257092518203],"properties":{"magmom":0.0},"label":"Si","xyz":[2.9192264372425347,1.057480503896128,0.06190401157319648]},{"species":[{"element":"Si","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.094791387470401,0.7507399449973131,0.344052442474648],"properties":{"magmom":0.0},"label":"Si","xyz":[-0.27863578326867683,2.828109520150451,-1.3531720915821157]},{"species":[{"element":"Si","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.9127049155127971,0.248914514457197,0.6637914010541831],"properties":{"magmom":-0.0},"label":"Si","xyz":[4.728599513671056,1.057184550105689,1.6035881242767993]}]} | false | -16.799989 | -16.799989 | -0.781213 | 0 | true | -0.172256 | 0 | null | null | 6.051203 | 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-3249325 | AcZnCuP2 | 156 | Trigonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.122968685233444,-3.9876936000000015e-9,0.0],[-2.061483849535974,3.570596237301578,0.0],[0.0,0.0,6.969806450810015]],"pbc":[true,true,true],"a":4.122968685233444,"b":4.122968972928349,"c":6.969806450810015,"alpha":90.0,"beta":90.0,"gamma":119.99998983491008,"volume":102.6057022405555},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Ac","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.9853577930242631],"properties":{"magmom":0.0},"label":"Ac","xyz":[-1.7327636587458877e-6,2.380398680403887,6.867753102176429]},{"species":[{"element":"Zn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.379325250704859],"properties":{"magmom":-0.0},"label":"Zn","xyz":[0.0,0.0,2.6438235793178526]},{"species":[{"element":"Cu","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.6367683474500581],"properties":{"magmom":0.0},"label":"Cu","xyz":[2.061486568461127,1.190197552909994,4.438152135729048]},{"species":[{"element":"P","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.277064289593248],"properties":{"magmom":0.0},"label":"P","xyz":[2.061486568461127,1.190197552909994,1.9310844728961143]},{"species":[{"element":"P","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.7214843192275701],"properties":{"magmom":0.0},"label":"P","xyz":[0.0,0.0,5.02860606231059]}]} | false | -22.098212 | -22.098212 | -0.818406 | 0 | true | -0.02528 | 0.3794 | 6.583 | 6.2036 | 6.349259 | false | false | false | NM | 0 | 0 | 0 | 0 | 0 | [
"P3-",
"Cu+",
"Zn2+",
"Ac3+"
] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249326 | YbGaHgPd3 | 160 | Trigonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.639672313721294,0.000860615077134,2.141604928810377],[1.370554603293183,4.432622281279978,2.141605900428274],[0.001166254066083,0.000860610548766,5.110090737241966]],"pbc":[true,true,true],"a":5.110091152853843,"b":5.1100915884020175,"c":5.11009094279595,"alpha":65.20955257388474,"beta":65.20956569949234,"gamma":65.20955576468366,"volume":105.0705693663784},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Yb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8751146084290721,0.875114608429392,0.8751146084290291],"properties":{"magmom":-0.0},"label":"Yb","xyz":[5.260657981023801,3.880558781687354,8.22021542220734]},{"species":[{"element":"Ga","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.500504754843206,0.5005047548427081,0.50050475484327],"properties":{"magmom":0.0},"label":"Ga","xyz":[3.008730865357116,2.219410009812282,4.701392097698944]},{"species":[{"element":"Hg","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.125628851535864,0.125628851535509,0.125628851535907],"properties":{"magmom":-0.0},"label":"Hg","xyz":[0.7552044202128999,0.5570814820865276,1.1800696879264516]},{"species":[{"element":"Pd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.49895361545086503,0.0008435542901420001,0.498953615450808],"properties":{"magmom":0.0},"label":"Pd","xyz":[2.316719319336808,0.004597969291002179,3.620066331570994]},{"species":[{"element":"Pd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0008435542899860001,0.49895361545114203,0.49895361545098604],"properties":{"magmom":0.0},"label":"Pd","xyz":[0.6883388966535148,2.2121030438942766,3.6200668155448126]},{"species":[{"element":"Pd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.498953615451014,0.49895361545111405,0.0008435542900140001],"properties":{"magmom":0.0},"label":"Pd","xyz":[2.9988254337241327,2.212103046149778,2.1414341679515365]}]} | false | -28.453443 | -28.453443 | -0.749889 | 0 | true | -0.004687 | 0 | null | null | 6.897092 | 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-3249327 | HoCdGaNi3 | 160 | Trigonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.400727613792333,-2.3944092000000004e-9,2.540761734389562],[1.466909530263967,4.149045899636714,2.540761739086741],[0.09391940081347601,0.06641070454556801,4.918850049011489]],"pbc":[true,true,true],"a":5.081522775874632,"b":5.081522966796329,"c":4.920194817300198,"alpha":58.90928853201238,"beta":58.90928361627184,"gamma":59.99999455862973,"volume":88.32729407073768},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Ho","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.24656396320145202,0.246563963201808,0.26030711039494003],"properties":{"magmom":-0.0},"label":"Ho","xyz":[1.471195756702873,1.040292378529813,2.53333220944662]},{"species":[{"element":"Cd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.9964900759783291,0.996490075979181,0.010529772063328],"properties":{"magmom":-0.0},"label":"Cd","xyz":[5.848031133378068,4.135182350965524,5.11548208200201]},{"species":[{"element":"Ga","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.62792887522545,0.6279288752247041,0.11621437432511],"properties":{"magmom":0.0},"label":"Ga","xyz":[3.695373576499778,2.6130236019882864,3.7624763999747084]},{"species":[{"element":"Ni","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6269254880328531,0.125167109529655,0.620982914405324],"properties":{"magmom":0.0},"label":"Ni","xyz":[3.00085947605741,0.5605639939186962,4.965409932150327]},{"species":[{"element":"Ni","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.12516710952940702,0.62692548803249,0.620982914405949],"properties":{"magmom":0.0},"label":"Ni","xyz":[1.528791671641292,2.6423825380557067,4.965409934508697]},{"species":[{"element":"Ni","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.626925488032512,0.6269254880321561,0.620982914405338],"properties":{"magmom":0.0},"label":"Ni","xyz":[3.736893623371024,2.6423825368528653,6.240258422514887]}]} | false | -17.179479 | -17.179479 | -0.450436 | 0 | true | -0.001877 | 0 | null | null | 5.919755 | false | true | false | NM | 0.000103 | 0.000001 | 0.000103 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249328 | SmNiBr | 164 | Trigonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.006660510069491,-2.6280830000000004e-9,0.0],[-2.003329759531679,3.46986852424876,0.0],[-1e-16,0.0,11.187642919830303]],"pbc":[true,true,true],"a":4.006660510069491,"b":4.006659169557291,"c":11.187642919830303,"alpha":90.0,"beta":90.0,"gamma":120.00000292316996,"volume":155.5371587232186},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Sm","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.332704421998869],"properties":{"magmom":-0.0},"label":"Sm","xyz":[-3.32704421998869e-17,0.0,3.72217827117188]},{"species":[{"element":"Sm","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.667295578001123],"properties":{"magmom":-0.0},"label":"Sm","xyz":[-6.67295578001123e-17,0.0,7.465464648658334]},{"species":[{"element":"Ni","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.6666659999999991,0.48376095776687505],"properties":{"magmom":0.0},"label":"Ni","xyz":[3.303350613758766e-7,2.313243368710794,5.412144854050906]},{"species":[{"element":"Ni","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6666659999999991,0.33333499999999805,0.516239042233124],"properties":{"magmom":0.0},"label":"Ni","xyz":[2.003324410212495,1.1566286227784,5.775498065779386]},{"species":[{"element":"Br","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6666659999999991,0.33333499999999805,0.160455441755218],"properties":{"magmom":-0.0},"label":"Br","xyz":[2.003324410212495,1.1566286227784,1.7951181869010082]},{"species":[{"element":"Br","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.6666659999999991,0.839544558244782],"properties":{"magmom":-0.0},"label":"Br","xyz":[3.3033506134029825e-7,2.313243368710794,9.392524732929296]}]} | false | -19.518931 | -19.518931 | -1.194424 | 0 | true | -0.052753 | 0.148 | 3.2641 | 3.1161 | 3.133953 | false | false | false | NM | 0 | 0 | 0 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249329 | Rb2YbHgBi2 | 115 | Tetragonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.093141920089891,0.0,0.0],[0.0,5.093141920089891,0.0],[0.0,0.0,8.85461539355352]],"pbc":[true,true,true],"a":5.093141920089891,"b":5.093141920089891,"c":8.85461539355352,"alpha":90.0,"beta":90.0,"gamma":90.0,"volume":229.68956111634432},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Rb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.499999000000002,0.0,0.15327255706470302],"properties":{"magmom":-0.0},"label":"Rb","xyz":[2.5465658669030353,0.0,1.3571695431944297]},{"species":[{"element":"Rb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.499999000000002,0.846728442935301],"properties":{"magmom":-0.0},"label":"Rb","xyz":[0.0,2.5465658669030353,7.497454704974519]},{"species":[{"element":"Yb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.499999000000002,0.499999000000002,0.5],"properties":{"magmom":-0.0},"label":"Yb","xyz":[2.5465658669030353,2.5465658669030353,4.42730769677676]},{"species":[{"element":"Hg","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.5],"properties":{"magmom":0.0},"label":"Hg","xyz":[0.0,0.0,4.42730769677676]},{"species":[{"element":"Bi","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.499999000000002,0.29335470230502303],"properties":{"magmom":0.0},"label":"Bi","xyz":[0.0,2.5465658669030353,2.597543062801367]},{"species":[{"element":"Bi","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.499999000000002,0.0,0.706646297694973],"properties":{"magmom":0.0},"label":"Bi","xyz":[2.5465658669030353,0.0,6.257081185367511]}]} | false | -38.958782 | -38.958782 | -0.498206 | 0.00905 | false | null | 0 | null | null | 3.319805 | false | true | false | NM | 0.000006 | 0 | 0.000006 | 0 | 0 | [
"Rb+",
"Bi3-",
"Hg+",
"Yb3+"
] | true | null | null | null | null | null | null | null | false | false | false | true | true |
mp-3249330 | Dy3Lu(CI)2 | 156 | Trigonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[3.740321391062141,0.0,0.0],[-1.8701606955310701,3.239214984193425,0.0],[0.0,0.0,14.577312005670425]],"pbc":[true,true,true],"a":3.740321391062141,"b":3.74032281239634,"c":14.577312005670425,"alpha":90.0,"beta":90.0,"gamma":119.99998742960001,"volume":176.61441334765578},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Dy","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.586619520194688],"properties":{"magmom":-0.001},"label":"Dy","xyz":[-1.8701606764515297e-6,2.159477735867265,8.55133577449465]},{"species":[{"element":"Dy","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.415009721774445],"properties":{"magmom":-0.001},"label":"Dy","xyz":[1.8701625656917458,1.0797372483261567,6.04972619969256]},{"species":[{"element":"Dy","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.083168853027622],"properties":{"magmom":-0.002},"label":"Dy","xyz":[1.8701625656917458,1.0797372483261567,1.2123783197373934]},{"species":[{"element":"Lu","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.9167151050581521],"properties":{"magmom":-0.001},"label":"Lu","xyz":[-1.8701606764515297e-6,2.159477735867265,13.363242106743625]},{"species":[{"element":"C","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.9944210343527261],"properties":{"magmom":0.0},"label":"C","xyz":[0.0,0.0,14.495985682761196]},{"species":[{"element":"C","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.500895517106378],"properties":{"magmom":0.0},"label":"C","xyz":[0.0,0.0,7.3017102351013]},{"species":[{"element":"I","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.24864551283062702],"properties":{"magmom":-0.0},"label":"I","xyz":[-1.8701606764515297e-6,2.159477735867265,3.624583219341979]},{"species":[{"element":"I","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.7545257356553561],"properties":{"magmom":-0.0},"label":"I","xyz":[1.8701625656917458,1.0797372483261567,10.998957064956132]}]} | false | -26.327905 | -26.327905 | -0.948264 | 0 | true | -0.022988 | 0 | null | null | 6.144793 | false | true | false | NM | 0.00448 | 0.000025 | 0.00448 | 0 | 0 | [
"C4-",
"Dy3+",
"Dy2+",
"I-",
"Lu3+"
] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249331 | PmNdGa3Si | 8 | Monoclinic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.765111050219069,0.028489066610338003,-1.575211264176018],[-1.100809290402946,3.769890672925442,-4.503517551667842],[-0.028224707963486,-0.028142960060101002,5.97527830215726]],"pbc":[true,true,true],"a":5.976504628548476,"b":5.9754102049840885,"c":5.975411236774581,"alpha":139.0917789705572,"beta":105.55363392953748,"gamma":88.62795512382372,"volume":129.1096525175661},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Pm","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0012537218696590002,0.0013250533759850002,0.999928668493375],"properties":{"magmom":0.0},"label":"Pm","xyz":[-0.02245347991443458,-0.023109928851249253,5.966909798606588]},{"species":[{"element":"Nd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.49852259600091003,0.498779286272693,0.9997433097286],"properties":{"magmom":-0.0},"label":"Nd","xyz":[2.2967597918436735,1.8664100865760178,2.9422048275438537]},{"species":[{"element":"Ga","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5830842879953331,0.250186368051458,0.332898919943431],"properties":{"magmom":0.0},"label":"Ga","xyz":[3.0767422188510336,0.9504180215224052,-0.05603594497250338]},{"species":[{"element":"Ga","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.083432708811933,0.7492098986561331,0.33422181015560404],"properties":{"magmom":0.0},"label":"Ga","xyz":[-0.35317169836780576,2.817410337951572,-1.5084357408719509]},{"species":[{"element":"Ga","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.9178399208798921,0.25072777971159604,0.6671121411686151],"properties":{"magmom":0.0},"label":"Ga","xyz":[4.996616555564853,0.9525902104771087,1.4112319635281847]},{"species":[{"element":"Si","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.415863764442271,0.749768613932133,0.666094150510367],"properties":{"magmom":0.0},"label":"Si","xyz":[1.5533482150284634,2.8196474139269267,-0.05157147390666964]}]} | false | -17.828711 | -17.828711 | -0.818592 | 0 | true | -0.020726 | 0 | null | null | 5.243227 | 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-3249332 | TbHo3(CI)2 | 156 | Trigonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[3.753580435858081,5.541853e-10,0.0],[-1.876789716962234,3.250696236583313,0.0],[0.0,0.0,14.621678644617408]],"pbc":[true,true,true],"a":3.753580435858081,"b":3.7535803793487754,"c":14.621678644617408,"alpha":90.0,"beta":90.0,"gamma":119.99999165966031,"volume":178.41006444248453},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Tb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.9146692350209371],"properties":{"magmom":0.011},"label":"Tb","xyz":[-1.542812161126824e-6,2.1671319081390026,13.373999620594176]},{"species":[{"element":"Ho","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.583805595317727],"properties":{"magmom":0.043000000000000003},"label":"Ho","xyz":[-1.542812161126824e-6,2.1671319081390026,8.53621780566536]},{"species":[{"element":"Ho","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.41513069257025104],"properties":{"magmom":0.042},"label":"Ho","xyz":[1.8767922617080062,1.0835643289984924,6.069907582279674]},{"species":[{"element":"Ho","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.085479465302704],"properties":{"magmom":0.01},"label":"Ho","xyz":[1.8767922617080062,1.0835643289984924,1.2498532723698619]},{"species":[{"element":"C","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.0026310286918090004],"properties":{"magmom":-0.002},"label":"C","xyz":[0.0,0.0,0.03847005603639934]},{"species":[{"element":"C","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.49947813745413305],"properties":{"magmom":-0.008},"label":"C","xyz":[0.0,0.0,7.303208815866375]},{"species":[{"element":"I","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.25060507499831103],"properties":{"magmom":0.001},"label":"I","xyz":[-1.542812161126824e-6,2.1671319081390026,3.6642668733355483]},{"species":[{"element":"I","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.748199770644127],"properties":{"magmom":0.0},"label":"I","xyz":[1.8767922617080062,1.0835643289984924,10.939936608334873]}]} | false | -25.814743 | -25.814743 | -0.954455 | 0 | true | -0.043342 | 0 | null | null | 6.090966 | false | true | false | NM | 0.140572 | 0.000788 | 0.140572 | 0 | 0 | [
"I-",
"Ho3+",
"Tb+",
"C4-"
] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249333 | PrNdNbIr3 | 160 | Trigonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.844115836251339,0.001146307029311,2.185272887852539],[1.411975718119751,4.633763801285542,2.185273880399982],[0.001547043154575,0.0011463030693020001,5.314213419882239]],"pbc":[true,true,true],"a":5.314214630914354,"b":5.314213425053835,"c":5.31421376869709,"alpha":65.7022573127387,"beta":65.70227651475531,"gamma":65.7022669643409,"volume":119.25257063801658},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Pr","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.9997997270174671,0.999799727016842,0.999799727016856],"properties":{"magmom":0.0},"label":"Pr","xyz":[6.256385361579241,4.63512793453656,9.682820592322154]},{"species":[{"element":"Nd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.250995756969409,0.250995756970105,0.250995756970098],"properties":{"magmom":-0.0},"label":"Nd","xyz":[1.570640736627929,1.1636304883314739,2.4308337144932626]},{"species":[{"element":"Nb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.624830558304843,0.624830558304807,0.624830558304807],"properties":{"magmom":0.0},"label":"Nb","xyz":[3.9099638185618453,2.8967497158577418,6.051334115400489]},{"species":[{"element":"Ir","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6246975494094751,0.624697549409582,0.124980858889181],"properties":{"magmom":0.0},"label":"Ir","xyz":[3.908358413679282,2.8955602523401374,3.394444813244378]},{"species":[{"element":"Ir","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.624697549409525,0.124980858889131,0.624697549409582],"properties":{"magmom":0.0},"label":"Ir","xyz":[3.2035436640107813,0.5805639676843868,4.95802812475288]},{"species":[{"element":"Ir","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.12498085888927302,0.624697549409525,0.6246975494094681],"properties":{"magmom":0.0},"label":"Ir","xyz":[1.488445962776478,2.895560250360991,4.958028620745107]}]} | false | -40.850526 | -40.850526 | -0.744843 | 0 | true | -0.053454 | 0 | null | null | 6.362022 | false | true | false | NM | 0 | 0 | 0 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249334 | K4YUSe6 | 5 | Monoclinic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[7.390873078165574,0.004268834764544,1.183036189487875],[-3.9828959926178262,6.225877803342813,1.183036184864837],[0.0038447291312640004,0.0070293347524220005,7.997171852033916]],"pbc":[true,true,true],"a":7.484958096485303,"b":7.48495754997097,"c":7.997175865544832,"alpha":80.87839540854588,"beta":80.8784006113278,"gamma":119.99838228992677,"volume":368.0003328893031},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"K","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.34420004992734404,0.655799950072619,0.5],"properties":{"magmom":-0.001},"label":"K","xyz":[-0.06612174602631969,4.0879143531057425,5.1816221124730015]},{"species":[{"element":"K","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6548382299292961,0.345161770070717,0.5],"properties":{"magmom":-0.002},"label":"K","xyz":[3.4670051778841295,2.155245066423079,5.181622113909152]},{"species":[{"element":"K","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0009149364779120001,0.9990850635221091,0.49999999999999206],"properties":{"magmom":-0.001},"label":"K","xyz":[-3.9705673518380715,6.223700093722499,5.181622110885987]},{"species":[{"element":"K","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.499907972727115,0.500092027272877,0.0],"properties":{"magmom":-0.0},"label":"K","xyz":[1.7029418458238976,3.1156458767599644,1.1830361871759212]},{"species":[{"element":"Y","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.16767955998164302,0.832320440018335,0.0],"properties":{"magmom":-0.004},"label":"Y","xyz":[-2.0757473994959574,5.182641149113628,1.18303618564]},{"species":[{"element":"U","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.832323743547917,0.16767625645209702,0.9999999999999851],"properties":{"magmom":1.45},"label":"U","xyz":[5.487606787757335,1.0545142704769628,9.180208040746516]},{"species":[{"element":"Se","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.795189105351859,0.805866367387245,0.206722331044488],"properties":{"magmom":-0.049},"label":"Se","xyz":[2.6682546169117294,5.022073180539779,3.5473005689182435]},{"species":[{"element":"Se","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.44008086305432603,0.062652512194873,0.209868111967509],"properties":{"magmom":-0.051000000000000004},"label":"Se","xyz":[3.0038502492594943,0.39342075069801996,2.273103133959611]},{"species":[{"element":"Se","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.050620283802430006,0.41723286521774805,0.20892091091412301],"properties":{"magmom":-0.052000000000000005},"label":"Se","xyz":[-1.2868637697874197,2.5993254990311847,2.224263632791561]},{"species":[{"element":"Se","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5827671347822511,0.9493797161976041,0.791079089085833],"properties":{"magmom":-0.052000000000000005},"label":"Se","xyz":[0.528918745004683,5.91877059835598,8.138980591899891]},{"species":[{"element":"Se","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.937347487805105,0.559919136945616,0.7901318880325401],"properties":{"magmom":-0.051000000000000004},"label":"Se","xyz":[4.700754468861618,3.49554360945852,8.09014109417218]},{"species":[{"element":"Se","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.194133632612796,0.20481089464816102,0.7932776689555251],"properties":{"magmom":-0.049},"label":"Se","xyz":[0.6221264850687824,1.281532541559343,6.8159436574192]}]} | false | -19.228522 | -19.228522 | -1.712018 | 0 | true | -0.097426 | 1.3349 | 2.4271 | 1.0922 | 1.146177 | false | false | true | FM | 0.999981 | 0.002717 | 0.999981 | 1 | 1 | [
"U5+",
"K+",
"Y3+",
"Se2-"
] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249335 | NdNp(SbSe)2 | 99 | Tetragonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.202733634945038,0.0,0.0],[0.0,4.209792180179046,0.0],[0.0,0.0,18.169846959991318]],"pbc":[true,true,true],"a":4.202733634945038,"b":4.209792180179046,"c":18.169846959991318,"alpha":90.0,"beta":90.0,"gamma":90.0,"volume":321.47247375336445},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Nd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.25,0.754124365457649,0.14729490728486602],"properties":{"magmom":-0.009000000000000001},"label":"Nd","xyz":[1.0506834087362595,3.1747068565860963,2.676325923352126]},{"species":[{"element":"Nd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.25,0.7458756345423511,0.647294907284866],"properties":{"magmom":-0.009000000000000001},"label":"Nd","xyz":[1.0506834087362595,3.1399814136824733,11.761249403347785]},{"species":[{"element":"Np","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.75,0.24480754103415503,0.8519425041146391],"properties":{"magmom":3.924},"label":"Np","xyz":[3.152050226208779,1.0305888718944467,15.479664918474766]},{"species":[{"element":"Np","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.75,0.255192458965844,0.351942504114632],"properties":{"magmom":3.924},"label":"Np","xyz":[3.152050226208779,1.0743072181950724,6.394741438478978]},{"species":[{"element":"Sb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.25,0.24986971579991002,0.49843468687473],"properties":{"magmom":-0.008},"label":"Sb","xyz":[1.0506834087362595,1.0518995756380218,9.056481980065039]},{"species":[{"element":"Sb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.25,0.25013028420008204,0.99843468687473],"properties":{"magmom":-0.008},"label":"Sb","xyz":[1.0506834087362595,1.0529965144514677,18.141405460060696]},{"species":[{"element":"Sb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.75,0.751281848414961,0.49973793227120905],"properties":{"magmom":-0.006},"label":"Sb","xyz":[3.152050226208779,3.1627404505677625,9.080161749470376]},{"species":[{"element":"Sb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.75,0.7487181515850381,0.9997379322712021],"properties":{"magmom":-0.006},"label":"Sb","xyz":[3.152050226208779,3.151947819700803,18.16508522946591]},{"species":[{"element":"Se","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.75,0.24516822342791003,0.687282614038856],"properties":{"magmom":-0.02},"label":"Se","xyz":[3.152050226208779,1.032107269815205,12.487819915348794]},{"species":[{"element":"Se","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.75,0.254831776572089,0.18728261403885602],"properties":{"magmom":-0.02},"label":"Se","xyz":[3.152050226208779,1.072788820274314,3.4028964353531355]},{"species":[{"element":"Se","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.25,0.7561364947222551,0.31530735541569005],"properties":{"magmom":-0.049},"label":"Se","xyz":[1.0506834087362595,3.183177502629744,5.729086393262678]},{"species":[{"element":"Se","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.25,0.743863505277744,0.8153073554156901],"properties":{"magmom":-0.049},"label":"Se","xyz":[1.0506834087362595,3.1315107676388214,14.814009873258337]}]} | false | -33.57442 | -33.57442 | -1.494758 | 0 | true | -0.001204 | 0 | null | null | 6.871474 | false | true | true | FM | 7.963824 | 0.024773 | 3.981912 | 1 | 1 | [
"Nd3+",
"Sb2-",
"Se2-",
"Np5+"
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mp-3249336 | HoTa5TiSn6 | 35 | Orthorhombic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.728963537805302,-2.605226e-9,0.0],[-2.864481274425004,4.972715948256317,0.0],[0.0,0.0,9.597641657083702]],"pbc":[true,true,true],"a":5.728963537805302,"b":5.738741750033209,"c":9.597641657083702,"alpha":90.0,"beta":90.0,"gamma":119.94364593071367,"volume":273.4224944301742},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Ho","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.9985050631469571],"properties":{"magmom":0.0},"label":"Ho","xyz":[0.0,0.0,9.583293788868229]},{"species":[{"element":"Ta","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.5,0.7514729043465921],"properties":{"magmom":0.0},"label":"Ta","xyz":[-1.432240637212502,2.4863579741281585,7.212367650926529]},{"species":[{"element":"Ta","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.5,0.24950673057468703],"properties":{"magmom":0.0},"label":"Ta","xyz":[-1.432240637212502,2.4863579741281585,2.394676191086376]},{"species":[{"element":"Ta","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.5,0.24950673057468703],"properties":{"magmom":0.0},"label":"Ta","xyz":[1.4322411316901489,2.4863579728255454,2.394676191086376]},{"species":[{"element":"Ta","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.5,0.7514729043465921],"properties":{"magmom":0.0},"label":"Ta","xyz":[1.4322411316901489,2.4863579728255454,7.212367650926529]},{"species":[{"element":"Ta","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.0,0.750465344607228],"properties":{"magmom":-0.0},"label":"Ta","xyz":[2.864481768902651,-1.302613e-9,7.202697453600008]},{"species":[{"element":"Ti","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.0,0.24908892623999102],"properties":{"magmom":0.0},"label":"Ti","xyz":[2.864481768902651,-1.302613e-9,2.3906662547991875]},{"species":[{"element":"Sn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.674834795462757],"properties":{"magmom":-0.0},"label":"Sn","xyz":[0.0,0.0,6.476822544582917]},{"species":[{"element":"Sn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.334305396525365,0.668611793050914,0.49971688083571303],"properties":{"magmom":-0.0},"label":"Sn","xyz":[-2.5338687098272563e-6,3.3248165256255913,4.796103552256771]},{"species":[{"element":"Sn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6652882168788771,0.330576433758338,0.0015551831645550002],"properties":{"magmom":-0.0},"label":"Sn","xyz":[2.8644819323636357,1.6438627025345591,0.014926090724528327]},{"species":[{"element":"Sn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33471178312112904,0.669423566241654,0.0015551831645550002],"properties":{"magmom":-0.0},"label":"Sn","xyz":[3.3101672022726023e-7,3.328853243116492,0.014926090724528327]},{"species":[{"element":"Sn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.322600472699953],"properties":{"magmom":0.0},"label":"Sn","xyz":[0.0,0.0,3.0962037353799627]},{"species":[{"element":"Sn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.665694603474634,0.33138820694908505,0.49971688083571303],"properties":{"magmom":-0.0},"label":"Sn","xyz":[2.8644847972490046,1.6478994200254953,4.796103552256771]}]} | false | -33.900029 | -33.900029 | -0.265001 | 0 | true | -0.02569 | 0 | null | null | 7.472192 | false | true | false | NM | 0.000241 | 0.000001 | 0.000241 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249337 | La4AlCd4In3 | 156 | Trigonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.93541524873854,-4.6574947000000005e-9,0.0],[-2.467707132406967,4.274194318077495,0.0],[0.0,0.0,15.706768789827079]],"pbc":[true,true,true],"a":4.93541524873854,"b":4.9354144263697,"c":15.706768789827079,"alpha":90.0,"beta":90.0,"gamma":119.99999897123797,"volume":331.33309079731606},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"La","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.502648580415275],"properties":{"magmom":0.0},"label":"La","xyz":[0.0,0.0,7.894985035117529]},{"species":[{"element":"La","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.9995320678214191],"properties":{"magmom":-0.0},"label":"La","xyz":[0.0,0.0,15.699419087288788]},{"species":[{"element":"La","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.25181190591386104],"properties":{"magmom":-0.0},"label":"La","xyz":[0.0,0.0,3.9551513847147053]},{"species":[{"element":"La","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.7471854190233811],"properties":{"magmom":0.0},"label":"La","xyz":[0.0,0.0,11.73586861973031]},{"species":[{"element":"Al","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.6048791991219671],"properties":{"magmom":-0.0},"label":"Al","xyz":[-2.1397325669844405e-6,2.8494643018972554,9.500697726384512]},{"species":[{"element":"Cd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.40187815486043305],"properties":{"magmom":0.0},"label":"Cd","xyz":[-2.1397325669844405e-6,2.8494643018972554,6.3122072600751435]},{"species":[{"element":"Cd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.6418347618183511],"properties":{"magmom":-0.0},"label":"Cd","xyz":[2.4677102560641373,1.4247300115227406,10.081150205154573]},{"species":[{"element":"Cd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.850326886448947],"properties":{"magmom":0.0},"label":"Cd","xyz":[2.4677102560641373,1.4247300115227406,13.355887801227157]},{"species":[{"element":"Cd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.103748703111882],"properties":{"magmom":0.0},"label":"Cd","xyz":[-2.1397325669844405e-6,2.8494643018972554,1.6295568920227437]},{"species":[{"element":"In","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.8926067745617481],"properties":{"magmom":0.0},"label":"In","xyz":[-2.1397325669844405e-6,2.8494643018972554,14.01996822827468]},{"species":[{"element":"In","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.144430127178608],"properties":{"magmom":0.0},"label":"In","xyz":[2.4677102560641373,1.4247300115227406,2.268530613879716]},{"species":[{"element":"In","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.35911841972409003],"properties":{"magmom":0.0},"label":"In","xyz":[2.4677102560641373,1.4247300115227406,5.6405899867743585]}]} | false | -23.40114 | -23.40114 | -0.578895 | 0 | true | -0.047324 | 0 | null | null | 6.347371 | false | true | false | NM | 0.000017 | 0 | 0.000017 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249338 | NdSc2Ni9 | 166 | Trigonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.6167181375137,-0.035016416660750005,6.95843872331762],[2.072429934117826,4.125571093243961,6.958438727287857],[-0.057260663036928006,-0.035016422486539,8.350488399623746]],"pbc":[true,true,true],"a":8.35075936528229,"b":8.350758779814996,"c":8.350758135979387,"alpha":33.9556650289829,"beta":33.955669188859076,"gamma":33.955675754223655,"volume":161.93209513666605},"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":-0.06},"label":"Nd","xyz":[0.0,0.0,0.0]},{"species":[{"element":"Sc","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8581649610462061,0.8581649610460641,0.8581649610459291],"properties":{"magmom":-0.091},"label":"Sc","xyz":[5.6912533996591295,3.480320827847693,19.10907314746028]},{"species":[{"element":"Sc","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.141835038953793,0.141835038953935,0.14183503895407001],"properties":{"magmom":-0.091},"label":"Sc","xyz":[0.9406340089354626,0.5752174262489753,3.1582927027689234]},{"species":[{"element":"Ni","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.41313021820183504,0.9183897187374931,0.41313021820253903],"properties":{"magmom":0.277},"label":"Ni","xyz":[3.786948005610167,3.7599493938376147,12.715138988348611]},{"species":[{"element":"Ni","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.41313021820229,0.413130218202567,0.9183897187369531],"properties":{"magmom":0.277},"label":"Ni","xyz":[2.7109015981999582,1.6577730237077757,13.41848531051174]},{"species":[{"element":"Ni","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.9183897187378841,0.4131302182018,0.413130218202226],"properties":{"magmom":0.277},"label":"Ni","xyz":[5.072473792478484,1.657773026648116,12.715138986342474]},{"species":[{"element":"Ni","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5868697817981641,0.08161028126250601,0.5868697817974601],"properties":{"magmom":0.277},"label":"Ni","xyz":[2.844939402984424,0.29558886025905323,9.552226861880593]},{"species":[{"element":"Ni","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5868697817977091,0.5868697817974321,0.08161028126304601],"properties":{"magmom":0.277},"label":"Ni","xyz":[3.9209858103946336,2.3977652303888926,8.848880539717465]},{"species":[{"element":"Ni","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.081610281262115,0.586869781798199,0.586869781797773],"properties":{"magmom":0.277},"label":"Ni","xyz":[1.5594136161161076,2.3977652274485517,9.552226863886728]},{"species":[{"element":"Ni","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6664846604215741,0.666484660421467,0.666484660421367],"properties":{"magmom":0.277},"label":"Ni","xyz":[4.420051227471073,2.702954036107889,14.840857767170505]},{"species":[{"element":"Ni","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33351533957842605,0.333515339578532,0.33351533957863205],"properties":{"magmom":0.277},"label":"Ni","xyz":[2.2118361811235228,1.3525842179887786,7.426508083058705]},{"species":[{"element":"Ni","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.5,0.5],"properties":{"magmom":0.242},"label":"Ni","xyz":[3.3159437042972986,2.027769127048336,11.133682925114611]}]} | false | -13.712303 | -13.712303 | -0.374767 | 0 | true | -0.011881 | 0 | null | null | 6.731625 | false | true | true | FiM | 1.846075 | 0.0114 | 1.846075 | 10 | 4 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249339 | HoHf2Fe9 | 166 | Trigonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.775407705166001,0.0015394899347170002,6.998569098354409],[2.161350676686723,4.258295234361954,6.998569099089854],[0.002506467424687,0.0015394895079460002,8.472573083251287]],"pbc":[true,true,true],"a":8.472572840939717,"b":8.472572483333456,"c":8.472573593863975,"alpha":34.290348840601055,"beta":34.2903540704188,"gamma":34.29034905085721,"volume":172.15955938373406},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Ho","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.0],"properties":{"magmom":-0.723},"label":"Ho","xyz":[0.0,0.0,0.0]},{"species":[{"element":"Hf","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.14303004583300802,0.143030045832738,0.143030045834024],"properties":{"magmom":-0.866},"label":"Hf","xyz":[0.9925233694389485,0.6095045491109248,3.2138438343390603]},{"species":[{"element":"Hf","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8569699541669921,0.8569699541672621,0.8569699541659751],"properties":{"magmom":-0.866},"label":"Hf","xyz":[5.946741479838463,3.651869664693693,19.255867446356483]},{"species":[{"element":"Fe","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.5,0.5],"properties":{"magmom":2.317},"label":"Fe","xyz":[3.4696324246387054,2.130687106902309,11.234855640347774]},{"species":[{"element":"Fe","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.333039261690593,0.33303926169053705,0.33303926169080705],"properties":{"magmom":2.6470000000000002},"label":"Fe","xyz":[2.3110476420787123,1.419204921952583,7.483296055325057]},{"species":[{"element":"Fe","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666960738309406,0.666960738309462,0.666960738309192],"properties":{"magmom":2.6470000000000002},"label":"Fe","xyz":[4.628217207198691,2.8421692918520303,14.986415225370472]},{"species":[{"element":"Fe","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.082143369719005,0.585706945295079,0.585706945292237],"properties":{"magmom":2.473},"label":"Fe","xyz":[1.6596542386168567,2.495141242470628,9.636441476770923]},{"species":[{"element":"Fe","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.585706945293743,0.585706945295008,0.08214336971796801],"properties":{"magmom":2.473},"label":"Fe","xyz":[4.063113451758812,2.495141242685232,8.894186759728315]},{"species":[{"element":"Fe","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.585706945294674,0.08214336971843,0.5857069452930971],"properties":{"magmom":2.473},"label":"Fe","xyz":[2.975998142634474,0.35159409945040737,9.636441476401009]},{"species":[{"element":"Fe","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.414293054705325,0.917856630281569,0.41429305470690203],"properties":{"magmom":2.473},"label":"Fe","xyz":[3.96326670664293,3.909780114354206,12.833269804294522]},{"species":[{"element":"Fe","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.9178566302809941,0.41429305470492,0.414293054707762],"properties":{"magmom":2.473},"label":"Fe","xyz":[5.279610610660548,1.7662329713339855,12.833269803924606]},{"species":[{"element":"Fe","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.41429305470625605,0.41429305470499106,0.917856630282031],"properties":{"magmom":2.473},"label":"Fe","xyz":[2.8761513975185915,1.7662329711193812,13.575524520967214]}]} | false | -21.222027 | -21.222027 | -0.146638 | 0 | true | -0.001629 | 0 | null | null | 7.502824 | false | true | true | FiM | 18.453803 | 0.10719 | 18.453803 | 12 | 5 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249340 | Cs3SmBi2 | 72 | Orthorhombic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[10.118449883131213,0.079301653130304,3.553666628238013],[-5.916433890571991,6.092571684848006,-6.549371986366913],[0.060516350173088006,-0.079301642359606,10.72417579256572]],"pbc":[true,true,true],"a":10.724638142813014,"b":10.724639533911066,"c":10.72463973329509,"alpha":128.16817072050105,"beta":70.32951852279159,"gamma":135.94218514467147,"volume":661.2193263342853},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Cs","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.25,0.25,0.0],"properties":{"magmom":0.0},"label":"Cs","xyz":[1.0505039981398054,1.5429683344945775,-0.7489263395322251]},{"species":[{"element":"Cs","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.75,0.75,0.0],"properties":{"magmom":0.0},"label":"Cs","xyz":[3.1515119944194163,4.628905003483733,-2.2467790185966754]},{"species":[{"element":"Cs","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.31538568281210605,0.7873976939945561,0.10278137680672401],"properties":{"magmom":0.0},"label":"Cs","xyz":[-1.4611522229261054,4.814136769181722,-2.9339392700671674]},{"species":[{"element":"Cs","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.184614317187815,0.287396693994445,0.472012011182016],"properties":{"magmom":0.0},"label":"Cs","xyz":[0.19621161994090763,1.7281938529938041,3.83572966558204]},{"species":[{"element":"Cs","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.815385682812184,0.7126033060055541,0.5279889888179811],"properties":{"magmom":0.0},"label":"Cs","xyz":[4.066320783307748,4.364377763323253,3.892751493030544]},{"species":[{"element":"Cs","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.684614317187893,0.21260230600544303,0.897217623193284],"properties":{"magmom":0.0},"label":"Cs","xyz":[5.723684505142061,1.278435005738618,10.662398980328282]},{"species":[{"element":"Sm","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.75,0.25,0.5],"properties":{"magmom":0.0},"label":"Sm","xyz":[6.139987114791956,1.5429683398799265,6.389994870869642]},{"species":[{"element":"Sm","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.25,0.7499990000000021,0.499999000000002],"properties":{"magmom":0.0},"label":"Sm","xyz":[-1.8774489161421177,4.549597342468748,1.3384713887633806]},{"species":[{"element":"Bi","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.9030358895680731,0.31164779344812304,0.21468168301957002],"properties":{"magmom":0.0},"label":"Bi","xyz":[7.306471576090265,1.9533241508381611,3.4702752849828298]},{"species":[{"element":"Bi","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.596964110431983,0.811647793451697,0.40861290388041704],"properties":{"magmom":0.0},"label":"Bi","xyz":[1.2630186826249017,4.959958930902845,1.187664728593219]},{"species":[{"element":"Bi","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.403035889568016,0.188352206548302,0.5913870961195821],"properties":{"magmom":0.0},"label":"Bi","xyz":[2.9995136601074046,1.1326127647158535,6.540805705843595]},{"species":[{"element":"Bi","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.096964110431926,0.688352206551876,0.7853173169804251],"properties":{"magmom":0.0},"label":"Bi","xyz":[-3.0439392938743097,4.13924762408218,4.258184425278148]}]} | false | -37.712265 | -37.712265 | -0.701793 | 0 | true | -0.007307 | 0.7535 | 2.4916 | 1.7381 | 1.845559 | true | false | false | NM | 0 | 0 | 0 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249341 | Sm3Ho(Br3N)2 | 8 | Monoclinic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[7.348976564349154,-0.16533462939426502,-5.038245428184698],[6.373618316224467,3.662207883547782,-5.038245477556187],[0.629321154786257,0.160367103344206,11.355830912524354]],"pbc":[true,true,true],"a":8.911717515588903,"b":8.911716698557406,"c":11.374386068599055,"alpha":121.26950848397216,"beta":121.26950381664699,"gamma":25.607294455767285,"volume":330.5154229057645},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Sm","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.41825496364661,0.41825496369646203,0.042821215049698005],"properties":{"magmom":-0.0},"label":"Sm","xyz":[5.76649171973364,1.46945171019455,-3.728271860144004]},{"species":[{"element":"Sm","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.13627535594248702,0.136275355905532,0.28513420134066003],"properties":{"magmom":-0.0},"label":"Sm","xyz":[2.0494924864259443,0.5222637931935618,1.8647583931573262]},{"species":[{"element":"Sm","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8655906999729901,0.865590700002663,0.714092028923431],"properties":{"magmom":-0.0},"label":"Sm","xyz":[12.32754372857637,3.1413778380878767,-0.6130084800852886]},{"species":[{"element":"Ho","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.577938925571984,0.577938925545552,0.9589539293287501],"properties":{"magmom":0.0},"label":"Ho","xyz":[8.534311735361847,2.1747638351570875,5.066122346891531]},{"species":[{"element":"Br","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.22025803898485202,0.22025803896482102,0.11287361675797301],"properties":{"magmom":0.0},"label":"Br","xyz":[3.093545592894074,0.7883156604285342,-0.9376544202576448]},{"species":[{"element":"Br","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.954205307497318,0.9542053074672411,0.256948772448971],"properties":{"magmom":-0.0},"label":"Br","xyz":[13.255876165685672,3.3779411489940467,-6.697174289943663]},{"species":[{"element":"Br","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.338252973010263,0.338252972998745,0.48776285139353304],"properties":{"magmom":-0.0},"label":"Br","xyz":[4.948667996596847,1.26104889001221,2.1305494595160033]},{"species":[{"element":"Br","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.663622078706232,0.6636220786956171,0.510465302813862],"properties":{"magmom":-0.0},"label":"Br","xyz":[9.427863553667244,2.402464139824691,-0.890224175413969]},{"species":[{"element":"Br","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.048924059367387,0.048924059366406,0.7534718411466551],"properties":{"magmom":0.0},"label":"Br","xyz":[1.1455408157748723,0.29191333129895664,8.063315986127366]},{"species":[{"element":"Br","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.774991597600944,0.774991597665575,0.87827155053489],"properties":{"magmom":0.0},"label":"Br","xyz":[11.187610596536752,2.850893254590043,2.1643074375776603]},{"species":[{"element":"N","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5738961778457821,0.5738961778512031,0.15067613091481002],"properties":{"magmom":0.0},"label":"N","xyz":[7.970168428827881,2.031005689647619,-4.071806951707823]},{"species":[{"element":"N","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.42779282185314504,0.427792821840185,0.8485285593467891],"properties":{"magmom":-0.0},"label":"N","xyz":[6.404424559862749,1.6320133441769376,5.325096365510872]}]} | false | -20.445965 | -20.445965 | -2.121724 | 0 | true | -0.041664 | 2.0806 | 3.0382 | 0.9576 | 0.979835 | false | false | false | NM | 0 | 0 | 0 | 0 | 0 | [
"Br-",
"N3-",
"Sm3+",
"Ho3+"
] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249342 | PrTh3(ZnGe)4 | 187 | Hexagonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.202984822628342,-1.215090559999999e-8,0.0],[-2.101490932304748,3.639891920007347,0.0],[0.0,0.0,17.075266034443988]],"pbc":[true,true,true],"a":4.202984822628342,"b":4.2029843359086945,"c":17.075266034443988,"alpha":90.0,"beta":90.0,"gamma":119.99998071519916,"volume":261.2244286838709},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Pr","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.75],"properties":{"magmom":-0.0},"label":"Pr","xyz":[0.0,0.0,12.806449525832992]},{"species":[{"element":"Th","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.25],"properties":{"magmom":0.0},"label":"Th","xyz":[0.0,0.0,4.268816508610997]},{"species":[{"element":"Th","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.0011902740574990002],"properties":{"magmom":0.0},"label":"Th","xyz":[0.0,0.0,0.020324246185692507]},{"species":[{"element":"Th","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.49880972594250006],"properties":{"magmom":0.0},"label":"Th","xyz":[0.0,0.0,8.517308771036285]},{"species":[{"element":"Zn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.128441572815702],"properties":{"magmom":-0.0},"label":"Zn","xyz":[-1.1154856152433858e-6,2.426595822585226,2.193174025710521]},{"species":[{"element":"Zn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.8695170969068471],"properties":{"magmom":-0.0},"label":"Zn","xyz":[2.1014950058092072,1.2132960852712122,14.847235751181827]},{"species":[{"element":"Zn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.630482903093152],"properties":{"magmom":-0.0},"label":"Zn","xyz":[2.1014950058092072,1.2132960852712122,10.765663300484139]},{"species":[{"element":"Zn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.37155842718429705],"properties":{"magmom":-0.0},"label":"Zn","xyz":[-1.1154856152433858e-6,2.426595822585226,6.344458991511457]},{"species":[{"element":"Ge","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.619024734513914],"properties":{"magmom":-0.0},"label":"Ge","xyz":[-1.1154856152433858e-6,2.426595822585226,10.570012023726143]},{"species":[{"element":"Ge","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.37702109336278505],"properties":{"magmom":-0.0},"label":"Ge","xyz":[2.1014950058092072,1.2132960852712122,6.4377354697664995]},{"species":[{"element":"Ge","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.122978906637214],"properties":{"magmom":-0.0},"label":"Ge","xyz":[2.1014950058092072,1.2132960852712122,2.0998975474554786]},{"species":[{"element":"Ge","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.8809752654860851],"properties":{"magmom":-0.0},"label":"Ge","xyz":[-1.1154856152433858e-6,2.426595822585226,15.042887027939823]}]} | false | -29.131325 | -29.131325 | -0.717986 | 0 | true | -0.041339 | 0 | null | null | 5.96625 | false | true | false | NM | 0.000124 | 0 | 0.000124 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249343 | K3Dy(BiTe3)2 | 12 | Monoclinic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[7.7851028715009285,0.004825820130726,1.173772663792012],[-4.15299885174283,6.5848672234185734,1.173773652072309],[0.03695556891847,0.06704750059792901,8.625190571092903]],"pbc":[true,true,true],"a":7.8730929293802525,"b":7.873094715480607,"c":8.625530329729322,"alpha":81.18050455184782,"beta":81.18050638833142,"gamma":119.92446060082364,"volume":441.1085632204525},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"K","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.66859040706408,0.33140959293590505,0.500000000000007],"properties":{"magmom":-0.0},"label":"K","xyz":[3.847179223432407,2.219038413394718,5.486368276864077]},{"species":[{"element":"K","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33140959293591904,0.668590407064094,0.49999999999999206],"properties":{"magmom":-0.0},"label":"K","xyz":[-0.1781196347558422,4.437702130752505,5.486368610093137]},{"species":[{"element":"K","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.5],"properties":{"magmom":-0.0},"label":"K","xyz":[0.018477784459235,0.033523750298964504,4.312595285546451]},{"species":[{"element":"Dy","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.5,0.0],"properties":{"magmom":0.0},"label":"Dy","xyz":[1.8160520098790491,3.29484652177465,1.1737731579321604]},{"species":[{"element":"Bi","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8334761549818661,0.166523845018126,7.1e-15],"properties":{"magmom":-0.0},"label":"Bi","xyz":[5.7971242703288,1.1005596149846844,1.173772828364299]},{"species":[{"element":"Bi","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.16652384501813303,0.8334761549818731,0.9999999999999921],"properties":{"magmom":-0.0},"label":"Bi","xyz":[-2.1280646816522357,5.5561809291625375,9.798964058592915]},{"species":[{"element":"Te","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.757947551958793,0.757947551958665,0.211269885232646],"properties":{"magmom":-0.0},"label":"Te","xyz":[2.7607519490399857,5.008806828273697,3.601560005283593]},{"species":[{"element":"Te","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.242052448041207,0.24205244804133402,0.7887301147673541],"properties":{"magmom":-0.0},"label":"Te","xyz":[0.9083076396365863,1.6479337158735252,7.37117688167363]},{"species":[{"element":"Te","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.429439585496098,0.100701605637524,0.21070055406141103],"properties":{"magmom":0.0},"label":"Te","xyz":[2.9328042564473207,0.679306046029189,2.4395977698387274]},{"species":[{"element":"Te","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.570560414503901,0.899298394362475,0.789299445938588],"properties":{"magmom":0.0},"label":"Te","xyz":[0.7362553322292441,5.977434498118034,8.533139117118486]},{"species":[{"element":"Te","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8992983943624111,0.570560414503972,0.789299445938581],"properties":{"magmom":0.0},"label":"Te","xyz":[4.660762776073765,3.814324979815876,8.533138792233165]},{"species":[{"element":"Te","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.10070160563758801,0.429439585496027,0.21070055406141802],"properties":{"magmom":0.0},"label":"Te","xyz":[-0.9917031873972001,2.842415564331346,2.439598094724048]}]} | false | -27.669639 | -27.669639 | -1.040932 | 0 | true | -0.074346 | 2.0415 | 4.6113 | 2.5698 | 2.601885 | false | false | false | NM | 0 | 0 | 0 | 0 | 0 | [
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mp-3249344 | Pr3Ni2Pt7 | 166 | Trigonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.10725457222025,-0.06128019653049901,7.561752921713545],[2.269111293389634,4.575908759854759,7.561752922350661],[-0.10012393543611901,-0.06128020098336501,9.124369961179287]],"pbc":[true,true,true],"a":9.125125301988724,"b":9.125125440177941,"c":9.12512505415409,"alpha":34.66322679285113,"beta":34.66322337122299,"gamma":34.66323214482734,"volume":219.33433235287535},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Pr","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8611258163163661,0.8611258163163451,0.861125816316437],"properties":{"magmom":-0.0},"label":"Pr","xyz":[6.2657597718362,3.834893243861855,20.880471846728653]},{"species":[{"element":"Pr","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.13887418368363302,0.138874183683654,0.138874183683562],"properties":{"magmom":-0.0},"label":"Pr","xyz":[1.0104821583375587,0.618455118479036,3.3674039585148163]},{"species":[{"element":"Pr","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.0],"properties":{"magmom":-0.0},"label":"Pr","xyz":[0.0,0.0,0.0]},{"species":[{"element":"Ni","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6668525995445831,0.6668525995445831,0.6668525995445901],"properties":{"magmom":-0.001},"label":"Ni","xyz":[4.852180846051669,2.969726932104637,16.16975901416089]},{"species":[{"element":"Ni","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.333147400455416,0.333147400455416,0.333147400455409],"properties":{"magmom":-0.001},"label":"Ni","xyz":[2.4240610841220893,1.4836214302362536,8.078116791082584]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.42042426887613205,0.9238575520619531,0.42042426887757506],"properties":{"magmom":-0.0},"label":"Pt","xyz":[4.201454842004185,4.175960499820242,14.001233557570883]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.42042426887772405,0.420424268876928,0.9238575520609441],"properties":{"magmom":-0.0},"label":"Pt","xyz":[3.008702972127108,1.8414452365161547,14.787906983786169]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.9238575520614911,0.420424268875962,0.420424268878193],"properties":{"magmom":-0.0},"label":"Pt","xyz":[5.630270631014846,1.841445238753393,14.001233557250998]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5795757311238671,0.076142447938046,0.579575731122425],"properties":{"magmom":-0.0},"label":"Pt","xyz":[3.0747870881695736,0.27738786252064845,10.246642247672597]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.579575731122275,0.579575731123071,0.076142447939055],"properties":{"magmom":-0.0},"label":"Pt","xyz":[4.26753895804665,2.611903125824736,9.459968821457302]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.07614244793850801,0.579575731124037,0.579575731121806],"properties":{"magmom":-0.0},"label":"Pt","xyz":[1.6459712991589126,2.6119031235874974,10.246642247992472]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.5,0.5],"properties":{"magmom":0.0},"label":"Pt","xyz":[3.6381209650868827,2.226674181170447,12.123937902621746]}]} | false | -40.275905 | -40.275905 | -0.893462 | 0 | true | -0.01158 | 0 | null | null | 8.050078 | false | true | false | NM | 0.001798 | 0.000008 | 0.001798 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249345 | DyMn2(Al4Fe)2 | 12 | Monoclinic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[6.61273752492223,-0.009625481972788001,-0.9585329256207351],[-4.954155085012464,4.422333261977019,-0.957452054326768],[-0.0011921932953190002,0.009625480668827001,6.681847253930092]],"pbc":[true,true,true],"a":6.681854203207133,"b":6.709500616489851,"c":6.681854293237475,"alpha":98.14157438174401,"beta":98.25804821894694,"gamma":135.3342604145074,"volume":195.18508625299893},"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":-0.20600000000000002},"label":"Dy","xyz":[0.0,0.0,0.0]},{"species":[{"element":"Mn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.5],"properties":{"magmom":2.8890000000000002},"label":"Mn","xyz":[-0.0005960966476595001,0.004812740334413501,3.340923626965046]},{"species":[{"element":"Mn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.0,0.0],"properties":{"magmom":2.8890000000000002},"label":"Mn","xyz":[3.306368762461115,-0.004812740986394001,-0.47926646281036756]},{"species":[{"element":"Al","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.658519627159023,0.9999999999989341,0.6585196271607211],"properties":{"magmom":-0.034},"label":"Al","xyz":[-0.6003227182792524,4.4223332611136374,2.811462763277771]},{"species":[{"element":"Al","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.9971338074116641,0.655978100143322,0.658844292732034],"properties":{"magmom":-0.035},"label":"Al","xyz":[3.3431814354093787,2.8976975709080652,2.8184437629298165]},{"species":[{"element":"Al","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.002866192588335,0.344021899856677,0.341155707267965],"properties":{"magmom":-0.035},"label":"Al","xyz":[-1.685791188794933,1.524635689764988,1.9474185110527682]},{"species":[{"element":"Al","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.34148037284097604,1.0658e-12,0.341480372839278],"properties":{"magmom":-0.034},"label":"Al","xyz":[2.257712964893694,-4.4058011022073983e-10,1.9543995107048133]},{"species":[{"element":"Al","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.724918529507327,0.5000000000006111,0.22491852950637503],"properties":{"magmom":-0.049},"label":"Al","xyz":[2.3163502737124153,2.206353889711524,0.32928695265085794]},{"species":[{"element":"Al","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.49209619857892006,0.716336460323283,0.22424026174448303],"properties":{"magmom":-0.05},"label":"Al","xyz":[-0.2950062570126077,3.1653003124708308,0.3407909527215518]},{"species":[{"element":"Al","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.507903801421079,0.28366353967671604,0.775759738255516],"properties":{"magmom":-0.05},"label":"Al","xyz":[1.9523965036270539,1.2570329482022229,4.425071321261033]},{"species":[{"element":"Al","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.275081470492672,0.49999999999938805,0.7750814704936241],"properties":{"magmom":-0.049},"label":"Al","xyz":[-0.6589600270979693,2.2159793709615303,4.436575321331727]},{"species":[{"element":"Fe","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.5,0.0],"properties":{"magmom":1.931},"label":"Fe","xyz":[-2.477077542506232,2.2111666309885094,-0.478726027163384]},{"species":[{"element":"Fe","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.5,0.5],"properties":{"magmom":1.931},"label":"Fe","xyz":[0.8286951233072237,2.211166630336529,2.382931136991295]}]} | false | -11.488281 | -11.488281 | -0.408894 | 0 | true | -0.01989 | 0 | null | null | 8.072858 | false | true | true | FiM | 8.774658 | 0.044956 | 8.774658 | 5 | 3 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249346 | Na4EuBiO6 | 5 | Monoclinic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.768078195914165,0.015805477647029,-0.9964129747435131],[-3.154248670012359,4.8286329994984944,-0.9973207095353511],[0.007362671999484,0.013488084649767001,5.807703415097626]],"pbc":[true,true,true],"a":5.853530106144606,"b":5.8531726365953585,"c":5.807723744730212,"alpha":99.73877560704491,"beta":99.72783267821578,"gamma":119.9865412653019,"volume":162.2005964854784},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Na","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.49930696074677106,0.500711055438209,0.000013121641060800002],"properties":{"magmom":0.0},"label":"Na","xyz":[1.300674509285504,2.425641887495551,-0.9968092325500614]},{"species":[{"element":"Na","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.656250827607138,0.34373899699596605,0.499996768171016],"properties":{"magmom":-0.0},"label":"Na","xyz":[2.7047491278702958,1.676905820629525,1.907118078351678]},{"species":[{"element":"Na","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33891503372824805,0.661052604798264,0.49997425967247006],"properties":{"magmom":0.0},"label":"Na","xyz":[-0.12655473669555503,3.204080831060335,1.906721425560653]},{"species":[{"element":"Na","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.009836443655586,0.990266731451484,0.500037831674745],"properties":{"magmom":-0.0},"label":"Na","xyz":[-3.0631285299212507,4.788534640084189,1.9066567433712218]},{"species":[{"element":"Eu","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8329651824622031,0.167011912038759,0.999992046783411],"properties":{"magmom":6.105},"label":"Eu","xyz":[4.285173818933979,0.8330926197279598,4.811115471244193]},{"species":[{"element":"Bi","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.16686415439971802,0.8331034285213691,5.8372241298e-6],"properties":{"magmom":0.01},"label":"Bi","xyz":[-1.6653298477460299,4.025388153349046,-0.997103010046236]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.942944905059626,0.598187388006394,0.218603995811705],"properties":{"magmom":-0.039},"label":"O","xyz":[3.553757683304384,2.90627960543107,-0.26656003508171056]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.549570581868508,0.9213636966551131,0.224880122983201],"properties":{"magmom":-0.036000000000000004},"label":"O","xyz":[0.26541159420426985,4.460646577890835,-0.16045729576220438]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.22792231929501802,0.205116364879138,0.22393542449271503],"properties":{"magmom":-0.036000000000000004},"label":"O","xyz":[0.6693345022495941,0.9970545292770955,0.8688789748499139]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7949602621928871,0.7720521215773171,0.7760663474663331],"properties":{"magmom":-0.037},"label":"O","xyz":[2.15586249927376,3.750988726823884,2.9450708871783022]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.07861697411948401,0.45036376667416506,0.7750997687754051],"properties":{"magmom":-0.036000000000000004},"label":"O","xyz":[-0.9613836524420283,2.186338535661694,3.97405748978208]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.40184835486483106,0.057036932963811,0.781402475303806],"properties":{"magmom":-0.039},"label":"O","xyz":[2.1437372739423717,0.2923014446219879,4.0808627952678105]}]} | false | -14.143331 | -14.143331 | -1.883741 | 0 | true | -0.005875 | 0 | null | null | 2.367033 | false | true | true | FM | 6.003408 | 0.037012 | 6.003408 | 1 | 1 | [
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"Eu3+",
"Bi5+"
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mp-3249347 | YbTi(SbPt)2 | 122 | Tetragonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.792747110142195,-1.8078587e-9,2.579537570630516],[-1.148680403753654,5.677714630338453,2.579537569530041],[-0.005252250326584,-0.0064210492650060005,7.805812191364028]],"pbc":[true,true,true],"a":6.341130274671475,"b":6.341129565475218,"c":7.805816599360662,"alpha":66.03492132140157,"beta":66.0349257164084,"gamma":90.00000145929916,"volume":256.9216645904135},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Yb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.0],"properties":{"magmom":-0.0},"label":"Yb","xyz":[0.0,0.0,0.0]},{"species":[{"element":"Yb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.24999799999999703,0.75,0.500000999999997],"properties":{"magmom":-0.0},"label":"Yb","xyz":[0.5840387588105286,4.2550754412483265,6.482446312224193]},{"species":[{"element":"Ti","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.5,0.0],"properties":{"magmom":-0.002},"label":"Ti","xyz":[2.3220333531942705,2.8388573142652973,2.5795375700802783]},{"species":[{"element":"Ti","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.75,0.250002000000002,0.500000999999997],"properties":{"magmom":-0.002},"label":"Ti","xyz":[4.054761803891881,1.416229480604439,6.482456630924724]},{"species":[{"element":"Sb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.49475754479006107,0.994759544790426,0.010480910419211],"properties":{"magmom":-0.0},"label":"Sb","xyz":[1.7232894938908339,5.647893521788827,3.9240773119012498]},{"species":[{"element":"Sb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.755241455209933,0.7552414552095711,0.48951908958078805],"properties":{"magmom":-0.0},"label":"Sb","xyz":[3.504820620627178,4.284902232125757,7.71744149374645]},{"species":[{"element":"Sb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.244759544790063,0.24475954479042603,0.510481910419208],"properties":{"magmom":-0.0},"label":"Sb","xyz":[1.133998474249215,1.3863970184333951,5.2474588026654185]},{"species":[{"element":"Sb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.005239455209938001,0.5052414552095711,0.9895180895807911],"properties":{"magmom":-0.0},"label":"Sb","xyz":[-0.5552073164462875,2.862263057685587,9.04079705418577]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.125000000000227,0.158167554422654,0.24999899999991002],"properties":{"magmom":-0.0},"label":"Pt","xyz":[0.541096361164752,0.8964249816691722,2.681886587271437]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6249999999997721,0.5918334455773431,0.25000000000009204],"properties":{"magmom":-0.0},"label":"Pt","xyz":[2.939326400035206,3.358656149231934,5.090320637256379]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.841834445579493,0.37500200000028605,0.749998999999064],"properties":{"magmom":-0.0},"label":"Pt","xyz":[4.441837420587326,2.124338559758188,8.99322666597638]},{"species":[{"element":"Pt","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.408167554420508,0.8749999999997151,0.7500010000009351],"properties":{"magmom":-0.0},"label":"Pt","xyz":[1.3553768750418915,4.96318450743681,9.164345864420639]}]} | false | -34.989419 | -34.989419 | -1.013552 | 0.050677 | false | null | 0 | null | null | 8.547978 | false | true | false | NM | 0.007201 | 0.000028 | 0.003601 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | true | true |
mp-3249348 | LuTh3(ZnGe)4 | 187 | Hexagonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.1805420876363915,0.0,0.0],[-2.090271043818195,3.6204554354015,0.0],[0.0,0.0,16.61483871795565]],"pbc":[true,true,true],"a":4.1805420876363915,"b":4.180541902236248,"c":16.61483871795565,"alpha":90.0,"beta":90.0,"gamma":120.00000146703168,"volume":251.47333189610194},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Lu","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.75],"properties":{"magmom":0.0},"label":"Lu","xyz":[0.0,0.0,12.461129038466737]},{"species":[{"element":"Th","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.25],"properties":{"magmom":-0.0},"label":"Th","xyz":[0.0,0.0,4.153709679488912]},{"species":[{"element":"Th","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.9930053713615621],"properties":{"magmom":-0.0},"label":"Th","xyz":[0.0,0.0,16.49862409123601]},{"species":[{"element":"Th","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.506994628638437],"properties":{"magmom":-0.0},"label":"Th","xyz":[0.0,0.0,8.42363398569745]},{"species":[{"element":"Zn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.125555145168526],"properties":{"magmom":0.0},"label":"Zn","xyz":[-2.0902710221547934e-6,2.4136381637527973,2.086078487184568]},{"species":[{"element":"Zn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.8473159909373671],"properties":{"magmom":0.0},"label":"Zn","xyz":[2.090273134089217,1.2068172716486991,14.078018532569125]},{"species":[{"element":"Zn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.652684009062632],"properties":{"magmom":0.0},"label":"Zn","xyz":[2.090273134089217,1.2068172716486991,10.844239544364335]},{"species":[{"element":"Zn","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.37444485483147305],"properties":{"magmom":0.0},"label":"Zn","xyz":[-2.0902710221547934e-6,2.4136381637527973,6.221340871793241]},{"species":[{"element":"Ge","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.627098112564041],"properties":{"magmom":-0.0},"label":"Ge","xyz":[-2.0902710221547934e-6,2.4136381637527973,10.419134000585938]},{"species":[{"element":"Ge","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.38230598120485804],"properties":{"magmom":-0.0},"label":"Ge","xyz":[2.090273134089217,1.2068172716486991,6.3519522186285]},{"species":[{"element":"Ge","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.117694018795141],"properties":{"magmom":-0.0},"label":"Ge","xyz":[2.090273134089217,1.2068172716486991,1.9554671403493087]},{"species":[{"element":"Ge","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.8729018874359581],"properties":{"magmom":-0.0},"label":"Ge","xyz":[-2.0902710221547934e-6,2.4136381637527973,14.50312407634752]}]} | false | -29.820523 | -29.820523 | -0.684191 | 0 | true | -0.042335 | 0 | null | null | 6.168641 | 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-3249349 | Yb4Si3Ag5 | 8 | Monoclinic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.661701107495933,-0.035594604803452,0.49612383538486404],[3.89542566330017,4.108744975626865,0.49612383512004604],[-0.07872895718256101,-0.033553455448446005,10.42575104827298]],"pbc":[true,true,true],"a":5.683508183028223,"b":5.683508180060164,"c":10.426102292018658,"alpha":85.42368429275325,"beta":85.42368439950312,"gamma":46.697223585532434,"volume":244.16575960231643},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Yb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.686305542606092,0.686305542606085,0.6849974517193751],"properties":{"magmom":-0.0},"label":"Yb","xyz":[6.505179939139821,2.7724416438855735,7.822597976233094]},{"species":[{"element":"Yb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.1895120569541,0.18951205695414303,0.18785316179948103],"properties":{"magmom":-0.0},"label":"Yb","xyz":[1.7964012693729126,0.7656079823629883,2.146553195597654]},{"species":[{"element":"Yb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.39680431749496103,0.396804317494975,0.897972678325999],"properties":{"magmom":-0.0},"label":"Yb","xyz":[3.721612712955586,1.5861135666928563,9.755767752058453]},{"species":[{"element":"Yb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8921557236126031,0.8921557236126031,0.394303669426861],"properties":{"magmom":-0.0},"label":"Yb","xyz":[8.495402233149743,3.620654165859632,4.996151333347207]},{"species":[{"element":"Si","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.16886083495119603,0.16886083495121001,0.49111951399476006],"properties":{"magmom":-0.0},"label":"Si","xyz":[1.5751590790622987,0.6713168157663871,5.287841557978032]},{"species":[{"element":"Si","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.988858270535878,0.9888582705358141,0.6649591839419381],"properties":{"magmom":0.0},"label":"Si","xyz":[9.39829230674061,4.005456752971318,7.913891224440114]},{"species":[{"element":"Si","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.48145968283365104,0.48145968283365104,0.186095279144588],"properties":{"magmom":0.0},"label":"Si","xyz":[4.586720136604836,1.9548135460124647,2.4179103003540643]},{"species":[{"element":"Ag","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.675300669966439,0.675300669966432,0.9991280071590721],"properties":{"magmom":-0.0},"label":"Ag","xyz":[6.375273805177247,2.7170769772155654,11.086725384662191]},{"species":[{"element":"Ag","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.384550715815173,0.38455071581514405,0.6049975453880301],"properties":{"magmom":0.0},"label":"Ag","xyz":[3.627569114999473,1.5460331325372656,6.6891233449904215]},{"species":[{"element":"Ag","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.912367351520558,0.912367351520565,0.104201182912177],"properties":{"magmom":-0.0},"label":"Ag","xyz":[8.711406789549626,3.712713106424646,1.9916699711689256]},{"species":[{"element":"Ag","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.10048052941843301,0.100480529418405,0.8757636204896141],"properties":{"magmom":-0.0},"label":"Ag","xyz":[0.891357201068991,0.3798874100376402,9.230195055605462]},{"species":[{"element":"Ag","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6045433042909061,0.604543304290942,0.38980670569810605],"properties":{"magmom":-0.0},"label":"Ag","xyz":[5.747007922101912,2.449316422118317,4.663884355957877]}]} | false | -23.697684 | -23.697684 | -0.429501 | 0.133809 | false | null | 0 | null | null | 6.185155 | false | true | false | NM | 0.000017 | 0 | 0.000017 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | true | true |
mp-3249350 | Er2TiCr2O8 | 5 | Monoclinic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.8826723154517975,0.037269092392331005,1.9434841585057472],[2.809462830398814,5.168570486959858,1.943485132907349],[0.0017523037809950002,0.0010492866684650001,5.03987144809991]],"pbc":[true,true,true],"a":6.195510732021497,"b":6.195509400840005,"c":5.039871861956783,"alpha":71.69810389951394,"beta":71.69811554839968,"gamma":57.72446423936904,"volume":152.6858766297348},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Er","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7277631767635171,0.724540875542338,0.335923832627017],"properties":{"magmom":0.026000000000000002},"label":"Er","xyz":[6.3173515916948455,3.772316139397915,4.515543557777117]},{"species":[{"element":"Er","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.27545912445674503,0.272236823238067,0.664076167372535],"properties":{"magmom":0.026000000000000002},"label":"Er","xyz":[2.3864386646124425,1.4180381278809393,4.411297178595112]},{"species":[{"element":"Ti","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.726428908043075,0.273571091954593,1.9753e-12],"properties":{"magmom":0.044},"label":"Ti","xyz":[5.041931040806926,1.4410448180522104,1.9434844250792804]},{"species":[{"element":"Cr","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0036422921641650003,0.9963577078331981,0.500000000002046],"properties":{"magmom":2.814},"label":"Cr","xyz":[2.821532509108153,5.1504054314190615,4.463420853413435]},{"species":[{"element":"Cr","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.25168618102128404,0.748313818982097,0.9999999999972431],"properties":{"magmom":2.799},"label":"Cr","xyz":[3.584699492960676,3.8781421219779055,6.983356335756517]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.39702297305638,0.386810057371796,0.938956956948729],"properties":{"magmom":0.009000000000000001},"label":"O","xyz":[3.4239298686334783,2.0150369674730193,6.2555898127797285]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6131899426349391,0.602977026937878,0.061043043051284],"properties":{"magmom":0.009000000000000001},"label":"O","xyz":[5.301344010373527,3.1394463500233014,2.671250916783792]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8974023402986121,0.8978649472526571,0.9157128936258511],"properties":{"magmom":0.011},"label":"O","xyz":[7.803246706286436,4.675084483710959,8.104149675762393]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.10213505275498101,0.102597659693096,0.084287106374112],"properties":{"magmom":0.011},"label":"O","xyz":[0.8892190552877839,0.5341781579755499,0.822691064199921]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.339782571189012,0.8895690703686651,0.5945970556750241],"properties":{"magmom":0.018000000000000002},"label":"O","xyz":[4.49908267774865,4.611087734022375,5.385919031418735]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8906449102110651,0.335587402213533,0.5997179781851331],"properties":{"magmom":0.006},"label":"O","xyz":[6.183243377146407,1.768329946403158,5.405664916009435]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.11043092962668001,0.660217428817055,0.405402944323398],"properties":{"magmom":0.018000000000000002},"label":"O","xyz":[2.5051956878396315,3.4169213619844143,3.540922243801909]},{"species":[{"element":"O","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6644125977795451,0.10935508979502301,0.40028202181565503],"properties":{"magmom":0.006},"label":"O","xyz":[4.216452070789474,0.590391554795793,3.5211752826569973]}]} | false | -15.480795 | -15.480795 | -3.271904 | 0 | true | -0.003771 | 1.9777 | 6.0914 | 4.1137 | 4.159323 | false | false | true | FM | 5.999995 | 0.039296 | 5.999995 | 2 | 2 | [
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mp-3249351 | Na4GdUS6 | 5 | Monoclinic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[6.833549765381946,-0.0005847350761890001,-1.1639194244870381],[3.713138154504303,5.736724842046861,1.163919425138239],[0.0022820923296750003,-0.004195889427196,6.958186209920224]],"pbc":[true,true,true],"a":6.931963009463121,"b":6.931963307462564,"c":6.958187849243325,"alpha":80.35269404286811,"beta":99.64730600168967,"gamma":60.0140497254125,"volume":272.85802096970576},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Na","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5005088622579661,0.5005098622579991,0.49999899999999503],"properties":{"magmom":-0.001},"label":"Na","xyz":[5.279855528393123,2.868896754899502,3.4790873110192626]},{"species":[{"element":"Na","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.16029964231319102,0.16030064231311,0.49999900000002306],"properties":{"magmom":-0.001},"label":"Na","xyz":[1.6917750581672173,0.9174090036124167,3.4790873107977807]},{"species":[{"element":"Na","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8396183415359101,0.8396203415359621,0.49999899999998804],"properties":{"magmom":-0.001},"label":"Na","xyz":[8.856341090150956,4.814081976364608,3.47908847515949]},{"species":[{"element":"Na","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.999926751388933,0.9999267513889191,0.0],"properties":{"magmom":-0.0},"label":"Na","xyz":[10.545915389644708,5.735719942674871,6.511369876732612e-10]},{"species":[{"element":"Gd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.332963624196267,0.332963624196288,0.9999999999999921],"properties":{"magmom":6.888},"label":"Gd","xyz":[3.513945525402067,1.9057301094874421,6.958186210137019]},{"species":[{"element":"U","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6672852522322471,0.667285252232225,7.1e-15],"properties":{"magmom":1.337},"label":"U","xyz":[7.0376493088360075,3.827641698119307,4.345604055453847e-10]},{"species":[{"element":"S","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.43850201740479305,0.9090973884315261,0.227314690823142],"properties":{"magmom":-0.053},"label":"S","xyz":[6.372648310413702,5.214031377236633,2.1294330410015703]},{"species":[{"element":"S","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.9090973884317031,0.43850301740457104,0.772686309176961],"properties":{"magmom":-0.053},"label":"S","xyz":[7.842347871716399,2.5117974658114073,4.828761291902099]},{"species":[{"element":"S","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5750826837431761,0.063620444985964,0.769524031626126],"properties":{"magmom":-0.052000000000000005},"label":"S","xyz":[4.1678437651424005,0.3614078784478885,4.759190670523408]},{"species":[{"element":"S","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.063620444985744,0.575082683743382,0.23047696837375],"properties":{"magmom":-0.052000000000000005},"label":"S","xyz":[2.5706409016298015,3.2980868610810807,2.1990024979985834]},{"species":[{"element":"S","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.28352060837450904,0.729574383135663,0.769184638499467],"properties":{"magmom":-0.05},"label":"S","xyz":[4.6482180157721675,4.1819742897185925,5.8713005977748365]},{"species":[{"element":"S","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7295743831355631,0.283520608374395,0.23081636150054402],"properties":{"magmom":-0.05},"label":"S","xyz":[6.038860787496088,1.625084629630279,1.0868925709913857]}]} | false | -17.260079 | -17.260079 | -1.776747 | 0 | true | -0.049824 | 1.4345 | 3.9629 | 2.5284 | 2.56313 | false | false | true | FM | 8.000025 | 0.029319 | 8.000025 | 2 | 2 | [
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mp-3249352 | Dy6RhAu7 | 148 | Trigonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[7.266272058000539,0.044670067913855006,-3.290178458582911],[-5.114540214629604,5.161607334547343,-3.290180146513667],[0.018461769055111002,0.044669941320393,7.976443991796942]],"pbc":[true,true,true],"a":7.976589454470491,"b":7.976590579917529,"c":7.976590436699614,"alpha":114.22570227742516,"beta":114.22569419055388,"gamma":114.22570449703286,"volume":303.1144649599724},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Dy","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7387657103571641,0.6164396404755901,0.9898371119992221],"properties":{"magmom":-0.0},"label":"Dy","xyz":[2.2335414516368686,3.2590360497483672,3.43651179209018]},{"species":[{"element":"Dy","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.9898371119991651,0.738765710357363,0.6164396404766841],"properties":{"magmom":-0.0},"label":"Dy","xyz":[3.4253593803582407,3.884970922676957,-0.770416749962721]},{"species":[{"element":"Dy","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6164396404739131,0.989837111997758,0.7387657103554801],"properties":{"magmom":-0.0},"label":"Dy","xyz":[-0.5697046582954497,5.1696875188306475,0.6077844714292577]},{"species":[{"element":"Dy","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.261234289642835,0.38356035952440903,0.010162888000778001],"properties":{"magmom":-0.0},"label":"Dy","xyz":[-0.06334783921082383,1.991911294033219,-2.0404264053898085]},{"species":[{"element":"Dy","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.010162888000834001,0.261234289642637,0.383560359523315],"properties":{"magmom":-0.0},"label":"Dy","xyz":[-1.2551657679322008,1.3659764211046337,2.1665021366630812]},{"species":[{"element":"Dy","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.383560359526086,0.010162888002234001,0.261234289644519],"properties":{"magmom":-0.0},"label":"Dy","xyz":[2.7398982707215302,0.08125982495090234,0.7883009152711287]},{"species":[{"element":"Rh","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.0],"properties":{"magmom":-0.0},"label":"Rh","xyz":[0.0,0.0,0.0]},{"species":[{"element":"Au","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.566427236839253,0.23712819320773001,0.074219601685598],"properties":{"magmom":0.0},"label":"Au","xyz":[2.9043829488978066,1.2525803496789638,-2.0518326705352306]},{"species":[{"element":"Au","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.074219601685598,0.566427236838521,0.23712819320810702],"properties":{"magmom":0.0},"label":"Au","xyz":[-2.3533372576486884,2.937582877276947,-0.21640363176078545]},{"species":[{"element":"Au","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.23712819320783002,0.074219601686657,0.566427236839523],"properties":{"magmom":0.0},"label":"Au","xyz":[1.353896075763066,0.4189872443598085,3.493685196912077]},{"species":[{"element":"Au","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.43357276316074606,0.7628718067922691,0.9257803983144011],"properties":{"magmom":0.0},"label":"Au","xyz":[-0.7341893364717614,3.998366994102622,3.4479180572355936]},{"species":[{"element":"Au","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.9257803983144011,0.433572763161478,0.762871806791892],"properties":{"magmom":0.0},"label":"Au","xyz":[4.523530870074732,2.313364466504639,1.612489018461149]},{"species":[{"element":"Au","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.762871806792169,0.925780398313342,0.43357276316047605],"properties":{"magmom":0.0},"label":"Au","xyz":[0.8162975366629786,4.831960099421777,-2.0975998102117135]},{"species":[{"element":"Au","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.5,0.5],"properties":{"magmom":-0.0},"label":"Au","xyz":[1.0850968062130233,2.6254736718907954,0.6980426933501822]}]} | false | -41.708056 | -41.708056 | -0.985073 | 0 | true | -0.012577 | 0 | null | null | 6.514625 | 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-3249353 | Dy8HoRh6 | 148 | Trigonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[6.9548154663787445,0.01224076402399,2.378449465137115],[1.7041365846114531,6.742815434427081,2.378443204958358],[0.015692175959725,0.012249249849448002,7.350255357738052]],"pbc":[true,true,true],"a":7.350280937889103,"b":7.350281189245201,"c":7.350282315153968,"alpha":70.99759200753118,"beta":70.99759570708373,"gamma":70.99758976362475,"volume":344.13299216804444},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Dy","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7980035031014191,0.7980035031015471,0.798003503101767],"properties":{"magmom":0.0},"label":"Dy","xyz":[6.922396481264763,5.400333454302001,9.661546538781453]},{"species":[{"element":"Dy","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.20199649689858,0.201996496898452,0.20199649689823201],"properties":{"magmom":0.0},"label":"Dy","xyz":[1.7522477456851513,1.366971993998512,2.4456014890520614]},{"species":[{"element":"Dy","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.15864743070415702,0.39227517160371406,0.666123071671414],"properties":{"magmom":0.0},"label":"Dy","xyz":[1.7823069963786464,2.6551405553297016,6.206513789544148]},{"species":[{"element":"Dy","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666123071673666,0.158647430703993,0.392275171604239],"properties":{"magmom":0.0},"label":"Dy","xyz":[4.909275583122459,1.082689276301093,4.844996648871409]},{"species":[{"element":"Dy","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.392275171603017,0.666123071672949,0.158647430704654],"properties":{"magmom":0.0},"label":"Dy","xyz":[3.865855650230844,4.498289988729075,3.6834416931005403]},{"species":[{"element":"Dy","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.841352569295843,0.607724828396285,0.333876928328585],"properties":{"magmom":0.0},"label":"Dy","xyz":[6.892337230571275,4.112164892970811,5.90063423828937]},{"species":[{"element":"Dy","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33387692832633303,0.8413525692960061,0.60772482839576],"properties":{"magmom":0.0},"label":"Dy","xyz":[3.7653686438274554,5.68461617199942,7.2621513789621055]},{"species":[{"element":"Dy","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.607724828396982,0.333876928327043,0.8413525692953451],"properties":{"magmom":0.0},"label":"Dy","xyz":[4.808788576719059,2.269015459571391,8.423706334732957]},{"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":"Rh","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.952750028705409,0.16649738602345102,0.5896247054586821],"properties":{"magmom":0.0},"label":"Rh","xyz":[6.919187416626168,1.1415459928804925,6.995964522966956]},{"species":[{"element":"Rh","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5896247054582561,0.9527500287047481,0.166497386023635],"properties":{"magmom":0.0},"label":"Rh","xyz":[5.726959907063781,6.433474523664133,4.892252700795111]},{"species":[{"element":"Rh","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.166497386024751,0.5896247054596341,0.952750028704457],"properties":{"magmom":0.0},"label":"Rh","xyz":[2.1777103482971487,3.9894390928513523,8.801350495983355]},{"species":[{"element":"Rh","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.04724997129459001,0.833502613976548,0.41037529454131705],"properties":{"magmom":0.0},"label":"Rh","xyz":[1.7554568103237456,5.62575945542002,5.111183504866559]},{"species":[{"element":"Rh","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.41037529454174404,0.047249971295251006,0.833502613976357],"properties":{"magmom":0.0},"label":"Rh","xyz":[2.9476843198861404,0.3338309246363803,7.214895327038354]},{"species":[{"element":"Rh","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.833502613975248,0.41037529454036503,0.047249971295542],"properties":{"magmom":0.0},"label":"Rh","xyz":[6.496933878652766,2.7778663554491607,3.3057975318501587]}]} | false | -29.729249 | -29.729249 | -0.825707 | 0 | true | -0.013512 | 0 | null | null | 5.516597 | false | true | false | NM | 0.00168 | 0.000005 | 0.00168 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249354 | RbDyB12 | 123 | Tetragonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.169466706302689,0.0,0.0],[0.0,4.169466706302689,0.0],[0.0,0.0,8.367720602090934]],"pbc":[true,true,true],"a":4.169466706302689,"b":4.169466706302689,"c":8.367720602090934,"alpha":90.0,"beta":90.0,"gamma":90.0,"volume":145.46824230232957},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Rb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.0],"properties":{"magmom":0.0},"label":"Rb","xyz":[0.0,0.0,0.0]},{"species":[{"element":"Dy","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.5],"properties":{"magmom":0.0},"label":"Dy","xyz":[0.0,0.0,4.183860301045467]},{"species":[{"element":"B","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.202256135304672,0.5,0.257430940455456],"properties":{"magmom":0.0},"label":"B","xyz":[0.8433002222982818,2.0847333531513446,2.1541101840647636]},{"species":[{"element":"B","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.202256135304672,0.5,0.7425690595445431],"properties":{"magmom":0.0},"label":"B","xyz":[0.8433002222982818,2.0847333531513446,6.213610418026163]},{"species":[{"element":"B","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.5,0.40258978432861103],"properties":{"magmom":-0.0},"label":"B","xyz":[2.0847333531513446,2.0847333531513446,3.368758832517864]},{"species":[{"element":"B","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.5,0.894565105401746],"properties":{"magmom":-0.0},"label":"B","xyz":[2.0847333531513446,2.0847333531513446,7.485470862381838]},{"species":[{"element":"B","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.202256135304672,0.257430940455456],"properties":{"magmom":0.0},"label":"B","xyz":[2.0847333531513446,0.8433002222982818,2.1541101840647636]},{"species":[{"element":"B","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.202256135304672,0.7425690595445431],"properties":{"magmom":0.0},"label":"B","xyz":[2.0847333531513446,0.8433002222982818,6.213610418026163]},{"species":[{"element":"B","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.5,0.105434894598253],"properties":{"magmom":-0.0},"label":"B","xyz":[2.0847333531513446,2.0847333531513446,0.8822497397090878]},{"species":[{"element":"B","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.5,0.5974102156713881],"properties":{"magmom":-0.0},"label":"B","xyz":[2.0847333531513446,2.0847333531513446,4.998961769573062]},{"species":[{"element":"B","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.7977438646953271,0.257430940455456],"properties":{"magmom":0.0},"label":"B","xyz":[2.0847333531513446,3.3261664840044034,2.1541101840647636]},{"species":[{"element":"B","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.7977438646953271,0.7425690595445431],"properties":{"magmom":0.0},"label":"B","xyz":[2.0847333531513446,3.3261664840044034,6.213610418026163]},{"species":[{"element":"B","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7977438646953271,0.5,0.257430940455456],"properties":{"magmom":0.0},"label":"B","xyz":[3.3261664840044034,2.0847333531513446,2.1541101840647636]},{"species":[{"element":"B","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7977438646953271,0.5,0.7425690595445431],"properties":{"magmom":0.0},"label":"B","xyz":[3.3261664840044034,2.0847333531513446,6.213610418026163]}]} | false | -9.892368 | -9.892368 | -0.316017 | 0 | true | -0.069777 | 0 | null | null | 4.201831 | false | true | false | NM | 0 | 0 | 0 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249355 | Sr7ThBi6 | 146 | Trigonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[8.30892142578879,-1.3697182830000001e-7,-2.887317635562249],[-4.154459610337801,7.195736640635493,-2.887317635562249],[0.0,0.0,8.661952906686746]],"pbc":[true,true,true],"a":8.796293446023775,"b":8.796292604497708,"c":8.661952906686746,"alpha":109.16214092770245,"beta":109.16213902294164,"gamma":109.77852142270912,"volume":517.887854649655},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Sr","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.145108628630673,0.502000443594603,0.9999271290166831],"properties":{"magmom":-0.0},"label":"Sr","xyz":[-0.8798443737892102,3.612262965713162,6.792912265292627]},{"species":[{"element":"Sr","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.356891814964079,0.35489137136946103,0.354818500386109],"properties":{"magmom":-0.0},"label":"Sr","xyz":[1.4910041796318658,2.5537047955244843,1.0182769941681689]},{"species":[{"element":"Sr","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.9979995564052471,0.143108185035934,0.49792668542198704],"properties":{"magmom":-0.0},"label":"Sr","xyz":[7.69776272250273,1.0297686739400904,1.018276994168149]},{"species":[{"element":"Sr","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8690971269993,0.860809601118049,0.86497971553041],"properties":{"magmom":0.0},"label":"Sr","xyz":[3.645061019580037,6.194159068334146,2.4976233571927]},{"species":[{"element":"Sr","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.991712474118784,0.630902873000813,0.49588358853115705],"properties":{"magmom":0.0},"label":"Sr","xyz":[5.61900052049962,4.539810784097481,-0.3896856164166628]},{"species":[{"element":"Sr","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.0,0.142522070284634],"properties":{"magmom":0.0},"label":"Sr","xyz":[4.154460712894395,-6.848591415000001e-8,-0.20913935681212614]},{"species":[{"element":"Sr","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6391903988819361,0.508287525881122,0.004170114412311],"properties":{"magmom":0.0},"label":"Sr","xyz":[3.1993228037169508,3.657503086409674,-3.2770119139318155]},{"species":[{"element":"Th","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.0,0.644555242805331],"properties":{"magmom":0.0},"label":"Th","xyz":[4.154460712894395,-6.848591415000001e-8,4.139448341156695]},{"species":[{"element":"Bi","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.862006035581039,0.241578454370056,0.10568959940146501],"properties":{"magmom":-0.0},"label":"Bi","xyz":[6.158712486790319,1.738334817628159,-2.2709206274266887]},{"species":[{"element":"Bi","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.13755761825569102,0.878302894954444,0.265864386189406],"properties":{"magmom":-0.0},"label":"Bi","xyz":[-2.5059184611258156,6.320036303958401,-0.630207182325127]},{"species":[{"element":"Bi","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.37957241878896003,0.637993964418967,0.743683563820418],"properties":{"magmom":-0.0},"label":"Bi","xyz":[0.5033172462961752,4.59083649428313,3.503714643697887]},{"species":[{"element":"Bi","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.25842154562999303,0.12042758121097501,0.8641111450314221],"properties":{"magmom":-0.0},"label":"Bi","xyz":[1.6468927952588337,0.8665651232664477,6.3910322792600525]},{"species":[{"element":"Bi","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7407452766986391,0.36244238174438603,0.6283067679337],"properties":{"magmom":-0.0},"label":"Bi","xyz":[4.649042064581482,2.6080398249760406,2.2571104532370985]},{"species":[{"element":"Bi","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.621697105045655,0.759254723301175,0.38756049123497804],"properties":{"magmom":-0.0},"label":"Bi","xyz":[2.011339314551773,5.463396946878839,-0.6302158442779726]}]} | false | -38.972128 | -38.972128 | -1.078661 | 0 | true | -0.07555 | 0.9155 | 4.5951 | 3.6796 | 3.763093 | false | false | false | NM | 0 | 0 | 0 | 0 | 0 | [
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"Bi3-"
] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249356 | Li6Lu2UN6 | 162 | Trigonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.857920266350453,-1.429719075e-7,0.0],[-2.928960499173667,5.073108548739109,0.0],[0.0,0.0,5.433541314773632]],"pbc":[true,true,true],"a":5.857920266350455,"b":5.857921128950908,"c":5.433541314773632,"alpha":90.0,"beta":90.0,"gamma":120.00000066087551,"volume":161.4732470594963},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Li","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.000027547758236300003,0.668177520870003,0.6097210164315711],"properties":{"magmom":-0.0},"label":"Li","xyz":[-1.9569041924927624,3.389737093196978,3.312944333266714]},{"species":[{"element":"Li","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33182247913051505,0.331850026890094,0.6097210164315711],"properties":{"magmom":-0.0},"label":"Li","xyz":[0.9718140049184898,1.6835111608741462,3.312944333266714]},{"species":[{"element":"Li","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.668149973111241,0.9999724522398951,0.6097210164315711],"properties":{"magmom":-0.0},"label":"Li","xyz":[0.98508945557737,5.072968700435146,3.312944333266714]},{"species":[{"element":"Li","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.9999724522417631,0.331822479129996,0.39027898356842805],"properties":{"magmom":-0.0},"label":"Li","xyz":[4.885863959669548,1.6833713125702183,2.1205969815069134]},{"species":[{"element":"Li","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.668177520869484,0.6681499731099051,0.39027898356842805],"properties":{"magmom":-0.0},"label":"Li","xyz":[1.9571457622582935,3.3895972448930505,2.1205969815069134]},{"species":[{"element":"Li","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33185002688875903,0.000027547760105100002,0.39027898356842805],"properties":{"magmom":-0.0},"label":"Li","xyz":[1.9438703115994156,0.00013970533205644878,2.1205969815069134]},{"species":[{"element":"Lu","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.33333300000000304,0.666666999999996,0.0000606999089499],"properties":{"magmom":-0.0},"label":"Lu","xyz":[-3.1729591859765147e-6,3.38207400920498,0.0003298154630822794]},{"species":[{"element":"Lu","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.666666999999996,0.33333300000000304,0.99993930009105],"properties":{"magmom":-0.0},"label":"Lu","xyz":[2.9289629401359694,1.691034396562216,5.433211499310549]},{"species":[{"element":"U","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.0],"properties":{"magmom":0.0},"label":"U","xyz":[0.0,0.0,0.0]},{"species":[{"element":"N","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.999973171179611,0.683051077302621,0.22448133544266802],"properties":{"magmom":-0.0},"label":"N","xyz":[3.8571334809223785,3.465192116521313,1.2197286105232952]},{"species":[{"element":"N","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.316948922698337,0.316922093877188,0.22448133544266802],"properties":{"magmom":-0.0},"label":"N","xyz":[0.9284092233908391,1.6077801384178687,1.2197286105232952]},{"species":[{"element":"N","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6830779061220511,0.0000268288201895,0.22448133544266802],"properties":{"magmom":-0.0},"label":"N","xyz":[4.001337329214021,0.00013600785610472747,1.2197286105232952]},{"species":[{"element":"N","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0000268288203884,0.316948922697378,0.7755186645573311],"properties":{"magmom":-0.0},"label":"N","xyz":[-0.9281737137455928,1.6079162892458836,4.213812704250332]},{"species":[{"element":"N","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.683051077301662,0.683077906122811,0.7755186645573311],"properties":{"magmom":-0.0},"label":"N","xyz":[2.0005505437859443,3.4653282673493275,4.213812704250332]},{"species":[{"element":"N","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.316922093877948,0.9999731711798101,0.7755186645573311],"properties":{"magmom":-0.0},"label":"N","xyz":[-1.0723775620372389,5.072972397911094,4.213812704250332]}]} | false | -16.363517 | -16.363517 | -1.350548 | 0 | true | -0.089499 | 1.4505 | 5.607 | 4.1565 | 4.231427 | false | false | false | NM | 0.000001 | 0 | 0.000001 | 0 | 0 | [
"N3-",
"Lu3+",
"Li+",
"U6+"
] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249357 | Ca9NdIr4 | 5 | Monoclinic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[8.532399071057796,0.00032870561468500005,1.075793651543235],[6.0124728165505,6.054090619331252,1.075794645447349],[-0.002058082482243,-0.0008562860077240001,7.56861404414644]],"pbc":[true,true,true],"a":8.59995151128982,"b":8.59995213451834,"c":7.568614372405292,"alpha":82.82944612717624,"beta":82.82945446518806,"gamma":44.82102065292906,"volume":390.9644668950087},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Ca","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.024568355559999002,0.801561916861793,0.415268697590555],"properties":{"magmom":-0.0},"label":"Ca","xyz":[5.02814159283926,4.852380968667381,4.031754995773009]},{"species":[{"element":"Ca","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.198438083138292,0.975431644439915,0.084731302409409],"properties":{"magmom":-0.0},"label":"Ca","xyz":[7.557734778820607,5.905344241885972,1.9041410955476181]},{"species":[{"element":"Ca","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.979404900196797,0.19617668176069702,0.5808040584070251],"properties":{"magmom":-0.0},"label":"Ca","xyz":[9.53498508429765,1.1874960102802694,5.660565151078496]},{"species":[{"element":"Ca","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.803823318239359,0.020595099803166,0.91919594159301],"properties":{"magmom":-0.0},"label":"Ca","xyz":[6.980477030495641,0.12416172713731542,7.843943433678286]},{"species":[{"element":"Ca","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.36261381309316904,0.204386046742548,0.32270276274930804],"properties":{"magmom":0.0},"label":"Ca","xyz":[4.322167163207685,1.2372145156421885,3.0523877150065704]},{"species":[{"element":"Ca","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7956139532573651,0.6373861869069161,0.177297237250741],"properties":{"magmom":0.0},"label":"Ca","xyz":[10.620397985778236,3.8589034406745677,2.8835074467943747]},{"species":[{"element":"Ca","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.63944159199503,0.799821209488584,0.6772762427173901],"properties":{"magmom":0.0},"label":"Ca","xyz":[10.26348023531399,4.841820327378562,6.674393062081565]},{"species":[{"element":"Ca","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.20017879051155701,0.360558408004827,0.8227237572825531],"properties":{"magmom":0.0},"label":"Ca","xyz":[3.8741597197614404,2.182214588673832,6.830116460530207]},{"species":[{"element":"Ca","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5714461147310881,0.42855388526888305,0.24999999999993602],"properties":{"magmom":-0.0},"label":"Ca","xyz":[7.451960363476823,2.5944778227287775,2.9679475885207993]},{"species":[{"element":"Nd","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.43460076514445906,0.565399234855618,0.7500000000001701],"properties":{"magmom":-0.0},"label":"Nd","xyz":[7.106091133005763,3.4224788451223205,6.75225474660706]},{"species":[{"element":"Ir","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.178133263353409,0.603897266845429,0.07526895795970001],"properties":{"magmom":0.0},"label":"Ir","xyz":[5.150665081934573,3.6560428798970026,1.4109857722189314]},{"species":[{"element":"Ir","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.39610273315426503,0.82186673664686,0.42473104204022805],"properties":{"magmom":0.0},"label":"Ir","xyz":[8.320283873807933,4.975422210618179,4.5249099700128825]},{"species":[{"element":"Ir","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8161729010926561,0.400538583467749,0.913745963796259],"properties":{"magmom":0.0},"label":"Ir","xyz":[9.3702596836237,2.4243827335840566,8.224721423317265]},{"species":[{"element":"Ir","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.599461416532548,0.183827098907023,0.5862540362037261],"properties":{"magmom":0.0},"label":"Ir","xyz":[6.218892909519064,1.1126009602771145,5.279787526792182]}]} | false | -21.993449 | -21.993449 | -0.40773 | 0 | true | -0.042708 | 0 | null | null | 3.513619 | 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-3249358 | Li4Yb(Cu2P3)2 | 71 | Orthorhombic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[7.28979884113972,0.008989645284473,-3.152748839022251],[-0.55721116556115,3.728168431050587,-6.990805642677797],[-0.074132320479306,-0.008989638881893,7.942009261044379]],"pbc":[true,true,true],"a":7.94235942273834,"b":7.942360333490539,"c":7.942360324051129,"alpha":151.6459847618096,"beta":113.92273468221265,"gamma":73.40921125478204,"volume":214.54390736014943},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Li","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.719592504101576,0.7195925041015411,6.39e-14],"properties":{"magmom":0.0},"label":"Li","xyz":[4.844719624553008,2.689230938373244,-7.299225769976551]},{"species":[{"element":"Li","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.668718506063072,0.5000000000000421,0.168718506063008],"properties":{"magmom":-0.0},"label":"Li","xyz":[4.583710313404416,1.8685790392479211,-4.263740377300255]},{"species":[{"element":"Li","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.331281493936927,0.49999999999995703,0.831281493936991],"properties":{"magmom":-0.0},"label":"Li","xyz":[2.0747450416948414,1.8595893982052425,2.0621951566445875]},{"species":[{"element":"Li","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.280407495898423,0.28040749589845804,0.999999999999936],"properties":{"magmom":0.0},"label":"Li","xyz":[1.8137357305462505,1.0389374990799198,5.09768054932089]},{"species":[{"element":"Yb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0,0.0,0.0],"properties":{"magmom":0.0},"label":"Yb","xyz":[0.0,0.0,0.0]},{"species":[{"element":"Cu","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.905809105964898,0.173691898457939,0.7321182075069991],"properties":{"magmom":0.0},"label":"Cu","xyz":[6.452109484180799,0.6491140768138556,1.744454673166002]},{"species":[{"element":"Cu","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5584263090489681,0.8263081015421031,0.732118207506772],"properties":{"magmom":0.0},"label":"Cu","xyz":[3.5561137386065753,3.0790543546221345,-1.722647652186534]},{"species":[{"element":"Cu","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.44157369095103105,0.173691898457896,0.267881792493227],"properties":{"magmom":0.0},"label":"Cu","xyz":[3.1023416164926827,0.649114082831029,-0.47889756846913434]},{"species":[{"element":"Cu","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.094190894035101,0.826308101542061,0.26788179249300004],"properties":{"magmom":0.0},"label":"Cu","xyz":[0.2063458709184585,3.0790543606393115,-3.9459998938216763]},{"species":[{"element":"P","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.9759266128859351,0.348932446811872,0.6269941660736931],"properties":{"magmom":-0.0},"label":"P","xyz":[6.873399103805124,1.304015715712725,-0.5365769402547873]},{"species":[{"element":"P","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.721937280737847,0.348932446812092,0.37300583392582304],"properties":{"magmom":-0.0},"label":"P","xyz":[5.0406967090868084,1.3040157050977172,-1.7529900543180035]},{"species":[{"element":"P","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.58522277086368,0.085222770863737,0.49999999999977907],"properties":{"magmom":-0.0},"label":"P","xyz":[4.181603037125659,0.3184909696223584,1.530168391671733]},{"species":[{"element":"P","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.41477722913632603,0.914777229136262,0.50000000000022],"properties":{"magmom":-0.0},"label":"P","xyz":[2.4768523179736484,3.4096774678308046,-3.7317136123274217]},{"species":[{"element":"P","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.27806271926215204,0.6510675531879071,0.626994166074176],"properties":{"magmom":-0.0},"label":"P","xyz":[1.6177586460124496,2.424152732355447,-0.4485551663376642]},{"species":[{"element":"P","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.024073387114064003,0.651067553188127,0.37300583392630604],"properties":{"magmom":-0.0},"label":"P","xyz":[-0.21494374870586638,2.4241527217404384,-1.66496828040088]}]} | false | -10.206203 | -10.206203 | -0.641147 | 0.01931 | false | null | 0 | null | null | 6.519453 | false | true | false | NM | 0.000001 | 0 | 0.000001 | 0 | 0 | [
"Cu2+",
"P3-",
"P2-",
"Li+",
"Yb2+"
] | true | null | null | null | null | null | null | null | false | false | false | true | true |
mp-3249359 | LiLa7PaIr6 | 146 | Trigonal | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[7.24538413307091,0.10025188856210601,2.844528924248401],[1.9743201482120452,6.971921809998552,2.8445280294671322],[0.130693939253635,0.10025175890027901,7.782663407838795]],"pbc":[true,true,true],"a":7.784406623359403,"b":7.784405788677366,"c":7.784406274124778,"alpha":67.59665538305039,"beta":67.59665169365874,"gamma":67.59664094852374,"volume":387.5372266069086},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Li","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.9942568839767311,0.9942568839765961,0.9942568839765891],"properties":{"magmom":-0.0},"label":"Li","xyz":[9.296697798691996,7.131233385889535,13.3943507084834]},{"species":[{"element":"La","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.183859757401201,0.183859757401258,0.183859757401258],"properties":{"magmom":-0.0},"label":"La","xyz":[1.719161948432599,1.318720404587369,2.4769072374528047]},{"species":[{"element":"La","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.13286423839763,0.37948562163591504,0.6881044000019251],"properties":{"magmom":-0.0},"label":"La","xyz":[1.8018096281453095,2.7280476492932366,6.812678591311264]},{"species":[{"element":"La","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.688104400002281,0.13286423839694,0.37948562163536703],"properties":{"magmom":-0.0},"label":"La","xyz":[5.297493715298374,1.0333469481229078,5.288677780245508]},{"species":[{"element":"La","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.37948562163521804,0.6881044000021881,0.132864238397743],"properties":{"magmom":-0.0},"label":"La","xyz":[4.125422033424176,4.848774097776638,4.070827726472134]},{"species":[{"element":"La","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8653579792367121,0.6164826885016901,0.31998143027930503],"properties":{"magmom":-0.0},"label":"La","xyz":[7.528804798732011,4.416901574353171,6.705445857514955]},{"species":[{"element":"La","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.319981430278772,0.865357979238041,0.616482688502159],"properties":{"magmom":-0.0},"label":"La","xyz":[4.107452622686894,6.1270903854501375,8.169608722487819]},{"species":[{"element":"La","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6164826885026,0.31998143027860204,0.865357979236904],"properties":{"magmom":-0.0},"label":"La","xyz":[5.211496717613423,2.3794427258390374,9.398588865768906]},{"species":[{"element":"Pa","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8204840982737661,0.820484098273574,0.8204840982735601],"properties":{"magmom":-0.0},"label":"Pa","xyz":[7.671853052477186,5.8848610338992815,11.053332333044088]},{"species":[{"element":"Ir","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.9457444128485121,0.16320044086575,0.5883413823428181],"properties":{"magmom":0.0},"label":"Ir","xyz":[7.251384134275725,1.2916156349721137,7.733288513434677]},{"species":[{"element":"Ir","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5883413823431171,0.9457444128481141,0.16320044086558003],"properties":{"magmom":0.0},"label":"Ir","xyz":[6.151290874307481,6.668999564569254,5.633884669733388]},{"species":[{"element":"Ir","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.163200440865544,0.5883413823429251,0.9457444128483701],"properties":{"magmom":0.0},"label":"Ir","xyz":[2.4676271927862232,4.213043808550436,9.498192362505016]},{"species":[{"element":"Ir","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.039988528878645006,0.804679334156261,0.45717080320357406],"properties":{"magmom":0.0},"label":"Ir","xyz":[1.9381763280991648,5.660002502539065,5.960687928998608]},{"species":[{"element":"Ir","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.45717080320387904,0.039988528877977006,0.804679334155864],"properties":{"magmom":0.0},"label":"Ir","xyz":[3.4964949539146404,0.4052996516505993,7.676732473264798]},{"species":[{"element":"Ir","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8046793341553731,0.45717080320415704,0.039988528878993006],"properties":{"magmom":0.0},"label":"Ir","xyz":[6.73803866620381,3.272038637045546,3.900586065157974]}]} | false | -40.901585 | -40.901585 | -0.794097 | 0 | true | -0.025306 | 0 | null | null | 8.163279 | false | true | false | NM | 0.000283 | 0.000001 | 0.000283 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249360 | Tb(Ho3S4)2 | 71 | Orthorhombic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[7.736173825118721,0.007273001100552,0.002358444393426],[-3.864123979197597,5.464696029080011,-3.864123979197597],[0.002358444393426,0.007273001100552,7.736173825118721]],"pbc":[true,true,true],"a":7.7361776033941325,"b":7.72824759848328,"c":7.7361776033941325,"alpha":119.96609492464812,"beta":89.96501509121133,"gamma":119.96609492464812,"volume":327.48790279318916},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Tb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.750004810161044,0.0,0.24999618983895203],"properties":{"magmom":-0.0},"label":"Tb","xyz":[5.802757183193308,0.007273008373553071,1.9357828248510782]},{"species":[{"element":"Ho","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.24999812803348903,0.999991540273192,0.24997873787785302],"properties":{"magmom":-0.0},"label":"Ho","xyz":[-1.9294727543902006,5.46828613154054,-1.9296227142740932]},{"species":[{"element":"Ho","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.249998128033482,0.499985325638149,0.24997873787783903],"properties":{"magmom":-0.0},"label":"Ho","xyz":[0.0026132493288351954,2.735904155909093,0.0024632894448889543]},{"species":[{"element":"Ho","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.250010445043969,0.500000999999997,0.74999255495603],"properties":{"magmom":-0.0},"label":"Ho","xyz":[0.003827222969016733,2.739626502155574,3.870596554694399]},{"species":[{"element":"Ho","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.249966195811424,0.0,0.750034804188572],"properties":{"magmom":0.0},"label":"Ho","xyz":[1.9355508565796522,0.007273008373553072,5.802989151464733]},{"species":[{"element":"Ho","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.750021262122146,8.459726807099996e-6,0.75000187196651],"properties":{"magmom":-0.0},"label":"Ho","xyz":[5.804031004588639,0.010955899740570117,5.803881044704746]},{"species":[{"element":"Ho","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.75002126212216,0.5000136743618521,0.750001871966517],"properties":{"magmom":-0.0},"label":"Ho","xyz":[3.871948864993629,2.7433324106759995,3.871798905109682]},{"species":[{"element":"S","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.001289742678139,0.0,0.99871025732186],"properties":{"magmom":0.0},"label":"S","xyz":[0.01233307615479523,0.007273001100551993,7.726199193357344]},{"species":[{"element":"S","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.49871009468373706,0.0,0.501289905316262],"properties":{"magmom":-0.0},"label":"S","xyz":[3.85929024518148,0.007273001100551993,3.8792420243306602]},{"species":[{"element":"S","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.000755226532035,0.999156263046117,0.500766052196127],"properties":{"magmom":-0.0},"label":"S","xyz":[-3.853840082384578,5.463732827910679,0.013151331665530636]},{"species":[{"element":"S","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.0007552265320990001,0.502365015681995,0.5007660521961831],"properties":{"magmom":-0.0},"label":"S","xyz":[-1.934177110788894,2.7489196711582564,1.9328143032611536]},{"species":[{"element":"S","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.500451043305659,0.500000999999997,0.49955195669434],"properties":{"magmom":0.0},"label":"S","xyz":[1.9406885737633197,2.739626502155574,1.9337352039000961]},{"species":[{"element":"S","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.9995525393329381,0.500000999999997,0.00044946066706300005],"properties":{"magmom":-0.0},"label":"S","xyz":[5.800647397923651,2.7396264948825726,-1.9262313587924884]},{"species":[{"element":"S","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.49923494780382005,0.497636984318006,0.9992447734678931],"properties":{"magmom":-0.0},"label":"S","xyz":[1.9415939949792835,2.7303332967879235,5.808577675213865]},{"species":[{"element":"S","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.49923494780387706,0.000842736953885,0.999244773467964],"properties":{"magmom":-0.0},"label":"S","xyz":[3.861268558946847,0.0155037459474193,7.728252239181536]}]} | false | -21.838366 | -21.838366 | -2.319246 | 0 | true | -0.009764 | 0 | null | null | 6.026141 | false | true | false | NM | 0.000002 | 0 | 0.000002 | 0 | 0 | [
"Ho3+",
"Tb2+",
"S2-",
"Ho2+"
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mp-3249361 | Ac3(YbRu)2 | 15 | Monoclinic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[8.914959196680943,-0.07298600755701301,0.795820766592483],[6.358540414584808,6.249064292531799,0.7958207535373301],[-0.137533415399011,-0.055614068776885,7.584120102565195]],"pbc":[true,true,true],"a":8.950706962487661,"b":8.950707871887285,"c":7.585570914250999,"alpha":85.93456360395778,"beta":85.93456147035762,"gamma":44.783769293933005,"volume":426.8372699356516},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Ac","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.339018851553106,0.222599786485999,0.8308568083063711],"properties":{"magmom":-0.0},"label":"Ac","xyz":[4.323478392596852,1.3200894171125406,6.748265594380339]},{"species":[{"element":"Ac","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.777400213515925,0.6609811484461541,0.669143191694331],"properties":{"magmom":-0.0},"label":"Ac","xyz":[11.041336980114359,4.036560579448553,6.219556081123403]},{"species":[{"element":"Ac","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.660981148446893,0.777400213513999,0.16914319169362801],"properties":{"magmom":-0.0},"label":"Ac","xyz":[10.81248780326987,4.800374799085349,2.427496028314661]},{"species":[{"element":"Ac","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.22259978648407502,0.33901885155384504,0.33085680830566805],"properties":{"magmom":-0.0},"label":"Ac","xyz":[4.094629215752376,2.0839036367493438,2.956205541571597]},{"species":[{"element":"Ac","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.57034616072611,0.42965383927412404,0.749999999999971],"properties":{"magmom":0.0},"label":"Ac","xyz":[7.713433990613691,2.601596624377594,6.483910837907149]},{"species":[{"element":"Ac","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.42965383927388906,0.5703461607258761,0.25000000000002803],"properties":{"magmom":0.0},"label":"Ac","xyz":[7.4225322052530425,3.518867591820308,2.6918507847878512]},{"species":[{"element":"Yb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.010119392322280001,0.8179207125020581,0.900146972562041],"properties":{"magmom":0.0},"label":"Yb","xyz":[5.167195588521134,5.060439708932902,7.485794250183521]},{"species":[{"element":"Yb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.18207928750021501,0.989880607675587,0.5998530274383991],"properties":{"magmom":0.0},"label":"Yb","xyz":[7.834925432543105,6.139178051517742,5.482027413251564]},{"species":[{"element":"Yb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.9898806076777191,0.182079287497941,0.09985302743795901],"properties":{"magmom":0.0},"label":"Yb","xyz":[9.968770607345592,1.0600245072649934,1.6899673725114859]},{"species":[{"element":"Yb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.817920712499784,0.010119392324412,0.40014697256160003],"properties":{"magmom":0.0},"label":"Yb","xyz":[7.301040763323621,-0.01871383531984645,3.6937342094434356]},{"species":[{"element":"Ru","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.16790773642821202,0.6078631548273981,0.5661944043953391],"properties":{"magmom":-0.0},"label":"Ru","xyz":[5.284142405355302,3.7548326457106618,4.911460941778046]},{"species":[{"element":"Ru","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.39213684517289205,0.8320922635694781,0.933805595608838],"properties":{"magmom":-0.0},"label":"Ru","xyz":[8.658346787918614,5.119244821000382,8.056360726485947]},{"species":[{"element":"Ru","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8320922635717871,0.39213684517260106,0.43380559560466003],"properties":{"magmom":-0.0},"label":"Ru","xyz":[9.851823790511425,2.3656315704872344,4.264300680916954]},{"species":[{"element":"Ru","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6078631548271071,0.167907736430521,0.066194404391161],"properties":{"magmom":-0.0},"label":"Ru","xyz":[6.477619407948112,1.0012193951975137,1.1194008962090523]}]} | false | -47.306088 | -47.306088 | -0.188907 | 0.099837 | false | null | 0 | null | null | 6.076139 | false | true | false | NM | 0.000013 | 0 | 0.000007 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | true | true |
mp-3249362 | Ba2DyAg5Se6 | 12 | Monoclinic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.362844469074973,3.0244232000000004e-9,-8.757862e-10],[-2.181422726873472,7.19865124600171,-0.566232915734854],[-2.2782889000000005e-9,0.106508570622796,11.559510393984958]],"pbc":[true,true,true],"a":4.362844469074973,"b":7.543195913519922,"c":11.560001065063203,"alpha":93.79974712607364,"beta":90.00000002242705,"gamma":106.80951550294148,"volume":363.30798765612985},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Ba","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.253188257435056,0.506376514870105,0.7062909149699971],"properties":{"magmom":-0.0},"label":"Ba","xyz":[-2.509165000905364e-7,3.720453966278755,7.877650122076536]},{"species":[{"element":"Ba","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7468117425649431,0.493623485129894,0.29370908503000204],"properties":{"magmom":-0.0},"label":"Ba","xyz":[2.1814219908397097,3.5847058533701674,3.115627355297773]},{"species":[{"element":"Dy","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5,0.0,0.5],"properties":{"magmom":-0.0},"label":"Dy","xyz":[2.181422233398342,0.0532542868236096,5.779755196554586]},{"species":[{"element":"Ag","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.022437769326217,0.044875538652007003,0.24877667728987501],"properties":{"magmom":0.0},"label":"Ag","xyz":[-2.2659696233157804e-8,0.34954020060256263,2.850326579797603]},{"species":[{"element":"Ag","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.9775622306737831,0.9551244613479921,0.751223322710124],"properties":{"magmom":0.0},"label":"Ag","xyz":[2.1814217625829104,6.9556196190463595,8.142950897576704]},{"species":[{"element":"Ag","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.36528908234310903,0.7305781646847861,0.039823480129271005],"properties":{"magmom":-0.0},"label":"Ag","xyz":[-3.597775265094061e-7,5.263418958560361,0.04666252779736171]},{"species":[{"element":"Ag","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.634710917656889,0.269421835315213,0.960176519870735],"properties":{"magmom":-0.0},"label":"Ag","xyz":[2.181422099700732,2.041740861088563,10.946614949577027]},{"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":"Se","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.12674983518222402,0.25349767036397,0.45259768854776106],"properties":{"magmom":0.0},"label":"Se","xyz":[4.237008338236523e-6,1.8730468538818719,5.088268959928222]},{"species":[{"element":"Se","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8732501648177761,0.74650232963603,0.547402311452238],"properties":{"magmom":0.0},"label":"Se","xyz":[2.1814175029148735,5.432112965767057,5.9050085174460865]},{"species":[{"element":"Se","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.16131087759494903,0.32262075518932604,0.09639980786178601],"properties":{"magmom":0.0},"label":"Se","xyz":[2.0223660482360143e-6,2.3327017075611978,0.9316560899277617]},{"species":[{"element":"Se","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8386891224050501,0.677379244810673,0.9036001921382131],"properties":{"magmom":0.0},"label":"Se","xyz":[2.1814197175571617,4.972458112087724,10.061621387446547]},{"species":[{"element":"Se","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.41540546015476504,0.830811920309315,0.265852390179645],"properties":{"magmom":-0.0},"label":"Se","xyz":[-2.5910660598695647e-6,6.009040824658774,2.602690411119528]},{"species":[{"element":"Se","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.584594539845234,0.169188079690684,0.7341476098203541],"properties":{"magmom":-0.0},"label":"Se","xyz":[2.1814243309892696,1.2961189949901484,8.39058706625478]}]} | false | -20.992362 | -20.992362 | -1.161668 | 0 | true | -0.010258 | 1.4765 | 5.0973 | 3.6208 | 3.724378 | false | false | false | NM | 0 | 0 | 0 | 0 | 0 | [
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"Ba2+"
] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249363 | Yb8SmThRu4 | 5 | Monoclinic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[8.438026671797942,-0.014594109477405002,1.100914746314999],[6.052727052912019,5.879201884809539,1.100914741472762],[0.035503036666907004,0.014369047030459001,7.218706945181482]],"pbc":[true,true,true],"a":8.509554652310467,"b":8.509555384824349,"c":7.2188085509685385,"alpha":82.28500431040611,"beta":82.28500629375448,"gamma":43.874482147032744,"volume":358.4814002321727},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Yb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.025849425688214002,0.7972711142118101,0.9180791978850701],"properties":{"magmom":0.0},"label":"Yb","xyz":[5.076377184328578,4.70013251120195,7.533530218509724]},{"species":[{"element":"Yb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.202728885788118,0.9741505743117991,0.5819208021149861],"properties":{"magmom":0.0},"label":"Yb","xyz":[7.627559235745549,5.732630892402392,5.496359683315194]},{"species":[{"element":"Yb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.977042749669024,0.19993379514724502,0.086439016294306],"properties":{"magmom":-0.0},"label":"Yb","xyz":[9.457526319438074,1.1624341227044321,1.9197287605453421]},{"species":[{"element":"Yb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8000662048529391,0.022957250330819003,0.413560983705657],"properties":{"magmom":-0.0},"label":"Yb","xyz":[6.904616616659583,0.1292365328570292,3.8914542035958686]},{"species":[{"element":"Yb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.35629810166734105,0.20427129547432002,0.8174470454735351],"properties":{"magmom":-0.0},"label":"Yb","xyz":[4.2718731336595015,1.2074982669041026,6.518049779134924]},{"species":[{"element":"Yb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.7957287045255511,0.64370189833285,0.682552954526457],"properties":{"magmom":-0.0},"label":"Yb","xyz":[10.634764628923547,3.7826480976101795,6.511840127161221]},{"species":[{"element":"Yb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6364823276526651,0.7937113132451611,0.179768142465377],"properties":{"magmom":0.0},"label":"Yb","xyz":[10.181155109696027,4.659683252949072,2.8722148040442077]},{"species":[{"element":"Yb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.206288686754966,0.36351767234714305,0.32023185753458705],"properties":{"magmom":0.0},"label":"Yb","xyz":[3.9523118939356965,2.1387846113680133,2.9389681555726233]},{"species":[{"element":"Sm","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.42748065700325805,0.572519342996891,0.25000000000002803],"properties":{"magmom":-0.0},"label":"Sm","xyz":[7.081272260310624,3.3633103626870766,2.9055914798384617]},{"species":[{"element":"Th","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.576985336588698,0.42301466341113003,0.7500000000000211],"properties":{"magmom":0.0},"label":"Th","xyz":[7.455637233878946,2.4893448045325997,6.514944953152736]},{"species":[{"element":"Ru","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.184811567467001,0.597666434896311,0.5749698867477441],"properties":{"magmom":-0.0},"label":"Ru","xyz":[5.197369911629294,3.5193662396252607,5.011980683310981]},{"species":[{"element":"Ru","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.402333565102914,0.81518843253395,0.9250301132520561],"properties":{"magmom":-0.0},"label":"Ru","xyz":[8.361855810145906,4.800077470134895,8.017909220248614]},{"species":[{"element":"Ru","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.808032949973281,0.40012916273491306,0.45018890938064904],"properties":{"magmom":0.0},"label":"Ru","xyz":[9.256059264867536,2.3471163919965843,4.5798652906717825]},{"species":[{"element":"Ru","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.5998708372660101,0.19196705002566,0.049811090619527],"properties":{"magmom":0.0},"label":"Ru","xyz":[6.225418726419067,1.1205741995645748,1.2313176716830074]}]} | false | -35.90674 | -35.90674 | -0.396643 | 0 | true | -0.010174 | 0 | null | null | 4.315611 | false | true | false | NM | 0.000077 | 0 | 0.000077 | 0 | 0 | [] | true | null | null | null | null | null | null | null | false | false | false | false | true |
mp-3249364 | Sr6LaLuSb6 | 1 | Triclinic | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[7.002630958700005,-0.015463450825356,4.840976309159602],[0.039132595024882005,6.955502948160549,4.809691381492816],[0.037856921455616005,-0.006227557671485,9.822061119765891]],"pbc":[true,true,true],"a":8.513056506795882,"b":8.456576364408338,"c":9.822136049220324,"alpha":55.37216192474278,"beta":55.12273717490267,"gamma":70.98990033303636,"volume":477.338364686539},"properties":{"magmom":null,"charge":null,"velocities":null,"selective_dynamics":null},"sites":[{"species":[{"element":"Sr","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.001943667431042,0.13425094168393,0.112229906098342],"properties":{"magmom":0.0},"label":"Sr","xyz":[0.023113052198793994,0.9330538466574716,1.7574438423245542]},{"species":[{"element":"Sr","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8641825270826471,0.001224421114386,0.886877150751267],"properties":{"magmom":0.0},"label":"Sr","xyz":[6.08517367152893,-0.010369857944598358,12.900337808480725]},{"species":[{"element":"Sr","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.49907855120388606,0.8555193061890161,0.750863507707563],"properties":{"magmom":0.0},"label":"Sr","xyz":[3.5567669848637142,5.938173533973775,13.905838541771224]},{"species":[{"element":"Sr","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.145041419297051,0.501321640333365,0.24808584677460002],"properties":{"magmom":0.0},"label":"Sr","xyz":[1.0446813162072888,3.4831563375421952,5.5500587975001325]},{"species":[{"element":"Sr","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.9972676436277291,0.646070935111659,0.605430099961346],"properties":{"magmom":0.0},"label":"Sr","xyz":[7.031699427379513,4.474556743859469,13.881722290699123]},{"species":[{"element":"Sr","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.35443849957245904,0.00064399452178,0.39626216778024304],"properties":{"magmom":0.0},"label":"Sr","xyz":[2.4970284769995876,-0.0034692820167907803,5.611037025773957]},{"species":[{"element":"La","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6385658811674441,0.49881879837285203,0.24829648967311602],"properties":{"magmom":0.0},"label":"La","xyz":[4.500561023367475,3.4581149098690256,7.929230075422398]},{"species":[{"element":"Lu","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.500599092587748,0.36735687122173005,0.7492003509680311],"properties":{"magmom":0.0},"label":"Lu","xyz":[3.548248750164339,2.54274512296518,11.548953163209461]},{"species":[{"element":"Sb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.8562966323184461,0.14207261155682,0.504814568126818],"properties":{"magmom":-0.0},"label":"Sb","xyz":[6.020999702731114,0.9718014058341402,9.78695666830759]},{"species":[{"element":"Sb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.6219076110805021,0.373432270119444,0.992079390098318],"properties":{"magmom":-0.0},"label":"Sb","xyz":[4.40715993614798,2.5816141863756927,14.55099838809729]},{"species":[{"element":"Sb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.266018936670583,0.260326842522062,0.623644076037777],"properties":{"magmom":-0.0},"label":"Sb","xyz":[1.896628951235225,1.802706770451705,8.665353372882693]},{"species":[{"element":"Sb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.734285677961217,0.7273383715014461,0.39051892422341405],"properties":{"magmom":-0.0},"label":"Sb","xyz":[5.1851781032005215,5.045217617693277,10.888633410152572]},{"species":[{"element":"Sb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.13558529048255202,0.608961230052891,0.8748828723641461],"properties":{"magmom":-0.0},"label":"Sb","xyz":[1.006404358060919,4.228086630932898,12.178433803942195]},{"species":[{"element":"Sb","oxidation_state":null,"spin":null,"occu":1.0}],"abc":[0.384790569516667,0.882659765698612,0.11681364943502301],"properties":{"magmom":-0.0},"label":"Sb","xyz":[2.733509327020665,6.13266494875094,7.255433903263]}]} | false | -23.627865 | -23.627865 | -1.275256 | 0 | true | -0.00022 | 0.957 | 5.2214 | 4.2644 | 4.377866 | false | false | false | NM | 0 | 0 | 0 | 0 | 0 | [
"Sr2+",
"La3+",
"Sb3-",
"Lu3+"
] | true | null | null | null | null | null | null | null | false | false | false | false | true |
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