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 | PET_v150_embedding list |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
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":8.610738113309... | 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 | [
0.5469514727592468,
2.510139226913452,
2.4946134090423584,
0.4971190392971039,
-0.28127321600914,
0.4172169268131256,
0.19720648229122162,
-3.2120308876037598,
2.570289134979248,
2.0067455768585205,
10.583126068115234,
2.4578123092651367,
1.2704617977142334,
3.8949570655822754,
-2.168410... |
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... | 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 | [
"Tm3+",
"O2-",
"Au3+",
"Cu2+"
] | true | null | null | null | null | null | null | null | false | false | false | false | true | [
-1.4616575241088867,
1.5164448022842407,
0.5160998106002808,
1.6466460227966309,
0.6797282099723816,
1.283584713935852,
-1.536247968673706,
2.841963529586792,
1.0635370016098022,
-4.018033981323242,
-1.384661078453064,
-1.3374974727630615,
-1.5583412647247314,
2.511573076248169,
-3.89340... |
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... | 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 | [
0.42863109707832336,
8.893513679504395,
-3.2485713958740234,
5.092108249664307,
-0.2142498642206192,
8.095781326293945,
-1.3494189977645874,
-4.601626396179199,
5.120577335357666,
-3.2650046348571777,
9.10800838470459,
-1.2926859855651855,
0.5161383152008057,
4.668807029724121,
-8.383730... |
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... | 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 | [
-10.891368865966797,
11.747943878173828,
-0.954066276550293,
-2.236515998840332,
0.02753264643251896,
8.967597961425781,
-5.559700965881348,
-4.459231376647949,
4.124790191650391,
-4.893970489501953,
7.378730297088623,
-6.483152866363525,
0.6266782283782959,
1.1910628080368042,
-9.075666... |
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":8.0... | 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 | [
0.31356748938560486,
4.559093952178955,
-1.2357902526855469,
-0.15857765078544617,
-1.6950725317001343,
0.4991551637649536,
-2.943530797958374,
-1.0950838327407837,
-2.201573610305786,
-4.2085771560668945,
1.3450114727020264,
-0.41909247636795044,
0.8303874731063843,
1.837276577949524,
-... |
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":148.457... | 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 | [
"Pr4+",
"B0.50-",
"Ba2+"
] | true | null | null | null | null | null | null | null | false | false | false | false | true | [
0.5085058212280273,
7.736728191375732,
-1.0331519842147827,
3.3378868103027344,
-0.8313321471214294,
0.46852242946624756,
-6.212996482849121,
-1.2252249717712402,
0.7448539137840271,
-11.769522666931152,
-4.168560981750488,
1.2542619705200195,
-1.888474464416504,
-2.353364944458008,
0.04... |
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":7.21... | 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 | [
-9.752336502075195,
13.696772575378418,
-6.190578460693359,
-0.42097142338752747,
-3.1377949714660645,
6.978848457336426,
-2.8688292503356934,
-1.1302155256271362,
4.416505813598633,
0.8764057755470276,
10.473976135253906,
-4.377316951751709,
2.569185256958008,
1.3352056741714478,
-11.37... |
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":60.0... | 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 | [
3.387664794921875,
9.117877960205078,
-1.3118337392807007,
3.4591829776763916,
-3.579057455062866,
2.0414226055145264,
-3.9240732192993164,
-0.7972351312637329,
1.2713366746902466,
-11.273273468017578,
-2.413862705230713,
3.1081950664520264,
-1.4688750505447388,
-1.284929633140564,
-0.94... |
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... | 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 | [
-5.462454795837402,
4.675612926483154,
-7.746953010559082,
3.387819528579712,
2.7637181282043457,
8.334990501403809,
0.4964523911476135,
-2.5893821716308594,
2.926149845123291,
0.20830298960208893,
15.843961715698242,
-3.197634220123291,
-2.9535679817199707,
-1.130402684211731,
-9.918141... |
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... | 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 | [
"N3-",
"Yb3+",
"Mn3+",
"Yb2+",
"Co2+"
] | true | null | null | null | null | null | null | null | false | false | false | false | true | [
-4.541137218475342,
7.85545539855957,
-3.3180861473083496,
4.208621501922607,
2.9117605686187744,
8.278032302856445,
-2.8608224391937256,
-1.7413073778152466,
4.944296836853027,
-6.104490280151367,
9.108295440673828,
-3.772352457046509,
-2.148146629333496,
-1.6151677370071411,
-11.352403... |
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... | 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 | [
"Tm3+",
"O2-",
"Er3+",
"Pd2.50+"
] | true | null | null | null | null | null | null | null | false | false | false | false | true | [
-1.9315415620803833,
3.232628583908081,
-0.9471220970153809,
2.9583804607391357,
-0.9552888870239258,
2.907543897628784,
-1.7922230958938599,
3.1638519763946533,
1.2463500499725342,
-5.122287273406982,
-2.449793577194214,
-1.6656981706619263,
-0.4286845624446869,
1.6732962131500244,
-3.4... |
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":6.36354337371329... | 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 | [
-9.05086612701416,
11.74667739868164,
-6.401951313018799,
3.5613198280334473,
6.767530918121338,
11.97560977935791,
-2.6137919425964355,
-3.910896062850952,
9.413454055786133,
-2.871581792831421,
17.027767181396484,
-8.893364906311035,
2.359020233154297,
2.9305062294006348,
-12.050218582... |
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":8.049... | 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 | [
-2.0802810192108154,
3.1814002990722656,
-3.5572447776794434,
-1.153336524963379,
1.9596279859542847,
-1.1992706060409546,
-5.369036674499512,
-0.11962873488664627,
-2.298166036605835,
-0.9442482590675354,
4.017639636993408,
-0.7480267286300659,
-1.5307707786560059,
3.218738555908203,
-2... |
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":5.2277... | 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 | [
-3.115407705307007,
4.596661567687988,
-5.74299430847168,
3.212702989578247,
2.0300469398498535,
3.050872564315796,
-2.3227832317352295,
-1.4342983961105347,
-1.0303313732147217,
0.4458344280719757,
4.665836811065674,
-4.397218227386475,
1.970887541770935,
0.6641101837158203,
-1.72932326... |
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":153.656201070... | 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-",
"O2-",
"Ac3+",
"Bi3+"
] | true | null | null | null | null | null | null | null | false | false | false | false | true | [
-2.754045248031616,
2.056776523590088,
-1.4834421873092651,
4.084107875823975,
-0.29661691188812256,
5.1090192794799805,
-3.378714084625244,
3.2602579593658447,
-0.12383273243904114,
-3.476931095123291,
0.8066592216491699,
0.12278101593255997,
2.989849805831909,
2.343039035797119,
-2.339... |
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.... | 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 | [
-1.7823002338409424,
3.04123854637146,
-3.344046115875244,
5.052319049835205,
1.3973792791366577,
2.026610851287842,
-3.750802516937256,
-1.679103136062622,
-3.8180506229400635,
0.42843902111053467,
2.6569230556488037,
-2.6465933322906494,
-4.3324079513549805,
1.7675172090530396,
-5.7513... |
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":5.9... | 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 | [
-1.6257704496383667,
5.812771320343018,
-0.8604158759117126,
-2.5524816513061523,
-0.9604343771934509,
2.858743667602539,
-4.344233989715576,
0.0738171860575676,
4.358587741851807,
-2.2994043827056885,
2.103151559829712,
-2.5375375747680664,
-1.9428902864456177,
2.4213225841522217,
-6.36... |
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.... | 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 | [
-5.2978315353393555,
4.365472316741943,
-0.15810474753379822,
5.532540321350098,
0.9971639513969421,
1.7768847942352295,
-2.748170852661133,
0.35798001289367676,
-0.2103338986635208,
-0.49380648136138916,
5.547369003295898,
-2.855760097503662,
-2.262197732925415,
1.4824223518371582,
-1.8... |
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":5.251110212... | 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 | [
-1.9338369369506836,
5.8396477699279785,
-4.054921627044678,
1.0387580394744873,
0.19872653484344482,
1.6276142597198486,
-2.479262351989746,
-0.7370253801345825,
0.5441890358924866,
-0.9929358959197998,
2.5131232738494873,
-2.826627731323242,
-2.3796067237854004,
2.415712833404541,
-3.0... |
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... | 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 | [
-4.728539943695068,
2.878638505935669,
-2.9303383827209473,
2.330016613006592,
-3.461627960205078,
1.5267537832260132,
-3.118751287460327,
-0.4080427587032318,
-1.6972754001617432,
1.2503271102905273,
4.872063159942627,
-0.5168690085411072,
1.7826796770095825,
3.9677035808563232,
-3.4000... |
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,"ga... | 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 | [
-1.114096760749817,
4.151054382324219,
-3.4528141021728516,
0.7457513213157654,
-1.7762112617492676,
2.952672243118286,
-3.764843225479126,
-0.4195030629634857,
0.19143719971179962,
-2.432804822921753,
4.171830654144287,
0.5663874745368958,
1.691213846206665,
2.524583101272583,
-6.514223... |
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":5.3344... | 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 | [
-3.037853956222534,
6.073685169219971,
-5.363589286804199,
1.2796839475631714,
-0.15055817365646362,
8.420478820800781,
-6.4611029624938965,
0.31136226654052734,
-1.5396548509597778,
0.17809034883975983,
5.2769269943237305,
-1.394835114479065,
2.3583662509918213,
3.9207370281219482,
-6.0... |
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,"alp... | 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 | [
-4.010077476501465,
2.198678731918335,
-2.744157075881958,
1.6029824018478394,
-4.313992023468018,
-0.342282235622406,
-2.156740665435791,
-2.829679489135742,
-2.6269712448120117,
0.20942634344100952,
9.297608375549316,
0.1734311878681183,
0.44662386178970337,
5.9564948081970215,
-4.7427... |
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,"bet... | 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 | [
-3.350414752960205,
11.712433815002441,
-3.4947445392608643,
2.905371904373169,
1.96798837184906,
8.571756362915039,
-3.702535390853882,
-3.8148934841156006,
2.498627185821533,
-5.56803035736084,
8.795157432556152,
-7.584539890289307,
-0.14526626467704773,
9.074872016906738,
-7.063500881... |
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":7.0... | 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 | [
-7.1761579513549805,
5.984007358551025,
-2.0172178745269775,
1.0125253200531006,
-1.7729259729385376,
2.575345993041992,
-7.315509796142578,
-2.3332815170288086,
-0.3338544964790344,
-5.708328723907471,
1.1376068592071533,
-2.2121644020080566,
-0.4999602437019348,
7.427393436431885,
-5.7... |
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"... | 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 | [
-1.4648407697677612,
6.49061918258667,
-1.732880711555481,
2.8482019901275635,
0.8028993010520935,
-2.00620698928833,
-0.2756322920322418,
-1.488906741142273,
1.7549536228179932,
-3.567736864089966,
1.4418666362762451,
0.0015906095504760742,
-0.6871998906135559,
3.6688764095306396,
-3.50... |
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":119.9999... | 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 | [
-3.4414546489715576,
2.9126744270324707,
-4.110306262969971,
4.616917610168457,
0.0039021919947117567,
4.2532453536987305,
-3.9792327880859375,
-1.1254173517227173,
-0.15548934042453766,
-2.2839744091033936,
3.277333974838257,
-1.9975621700286865,
3.118206262588501,
3.6799066066741943,
-... |
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":143.233... | 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 | [
-3.913869619369507,
4.853645324707031,
-2.7843949794769287,
3.2996158599853516,
-0.2385115623474121,
4.050088882446289,
-5.958195686340332,
0.6235915422439575,
-2.802900791168213,
-5.021461486816406,
1.1549930572509766,
-1.2451250553131104,
-0.5953245162963867,
1.3286997079849243,
-6.006... |
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":5.189345586... | 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 | [
-3.892636299133301,
4.603368282318115,
-3.0402884483337402,
3.8034822940826416,
3.448782444000244,
6.011263847351074,
-3.29661226272583,
-4.022084712982178,
3.1542298793792725,
-0.4342321455478668,
8.633506774902344,
-4.052214622497559,
-1.37940514087677,
-0.990034818649292,
-7.789523601... |
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":5.36383... | 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 | [
-3.1335127353668213,
8.077221870422363,
-0.2752610445022583,
6.3815107345581055,
2.6802775859832764,
7.79292106628418,
-3.821526527404785,
-5.295834541320801,
-3.907438039779663,
-4.111637115478516,
2.4041686058044434,
-3.654236316680908,
0.6804351210594177,
5.740517616271973,
-1.1642688... |
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... | 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 | [
-7.884878158569336,
9.84368896484375,
-7.257691383361816,
6.134088516235352,
5.024110794067383,
8.273202896118164,
2.1383321285247803,
-1.2804794311523438,
0.9299849271774292,
-1.2067791223526,
3.0879595279693604,
-0.339425653219223,
2.9171552658081055,
1.799938678741455,
-5.030751705169... |
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... | 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 | [
-5.32391357421875,
7.460809707641602,
-2.7675933837890625,
3.707218885421753,
-0.41435882449150085,
4.64784574508667,
-2.3602049350738525,
2.5311410427093506,
1.1077226400375366,
-2.7783093452453613,
4.027068138122559,
-0.6691409349441528,
-0.5043848156929016,
2.8341829776763916,
-5.9133... |
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,"ga... | 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 | [
-1.5951443910598755,
0.5949684977531433,
-3.2781996726989746,
2.2098934650421143,
-1.3909004926681519,
2.078078031539917,
-5.013160705566406,
-1.8239619731903076,
0.3399469554424286,
-1.7181843519210815,
3.8917908668518066,
-1.8114588260650635,
3.3553788661956787,
5.065739154815674,
-3.1... |
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,"be... | 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 | [
-6.526585578918457,
7.516995429992676,
-5.833495140075684,
-0.008344506844878197,
-0.058451056480407715,
7.811318874359131,
-2.3873119354248047,
-0.8208414912223816,
0.48916712403297424,
-1.1399281024932861,
6.001771450042725,
2.405135154724121,
4.317208766937256,
2.6859731674194336,
-6.... |
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,... | 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 | [
-0.9425923824310303,
0.042177677154541016,
4.441300392150879,
-1.2254416942596436,
-0.9319709539413452,
-0.40183696150779724,
2.5546348094940186,
-4.218625068664551,
1.1523663997650146,
-6.233545303344727,
-4.491552352905273,
1.569245457649231,
-0.9676828980445862,
3.3803975582122803,
0.... |
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.... | 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 | [
-1.5430892705917358,
4.831389427185059,
-0.7214536666870117,
6.218845367431641,
-1.810219168663025,
5.244449138641357,
-5.746954441070557,
2.886303663253784,
1.584465503692627,
-3.6442527770996094,
1.2737147808074951,
0.9000028371810913,
3.0551180839538574,
5.931714057922363,
-3.85740900... |
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":5.1... | 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 | [
-2.571385145187378,
5.109697341918945,
-4.988733291625977,
4.179929733276367,
2.3278322219848633,
6.385191440582275,
-2.521493911743164,
-3.600747585296631,
1.1702568531036377,
-0.12814658880233765,
10.141758918762207,
-3.503183126449585,
-0.8267896175384521,
-1.4424264430999756,
-8.6229... |
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... | 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 | [
-1.0609328746795654,
4.3848772048950195,
-1.6437878608703613,
4.3489508628845215,
-0.6063311696052551,
1.4802387952804565,
-3.014247179031372,
-1.1347910165786743,
-2.918351650238037,
0.36383020877838135,
1.9893512725830078,
-3.3883769512176514,
0.45305001735687256,
1.9674737453460693,
-... |
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":5.424... | 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 | [
-3.149146556854248,
4.9574079513549805,
-4.701035499572754,
3.3452460765838623,
1.9912526607513428,
3.3778584003448486,
-3.571171998977661,
-0.1589093804359436,
-1.5941914319992065,
0.6955348253250122,
3.80401349067688,
-4.751333236694336,
0.7292022109031677,
1.229929804801941,
-2.793511... |
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":120.00... | 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 | [
-5.800825595855713,
5.2643632888793945,
-0.7526344656944275,
4.425385475158691,
-0.7822596430778503,
3.414440870285034,
-2.586707592010498,
-0.28714391589164734,
-1.7662909030914307,
0.36615613102912903,
5.688044548034668,
2.403921604156494,
-0.30240532755851746,
5.888758659362793,
-5.04... |
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":7.3... | 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 | [
-8.013519287109375,
10.37283706665039,
-2.382660388946533,
0.6782984137535095,
-3.0880544185638428,
6.265808582305908,
-1.6965805292129517,
-2.651991605758667,
0.02920059859752655,
0.41370832920074463,
9.709635734558105,
-3.334714651107788,
-1.8558223247528076,
4.730940818786621,
-10.078... |
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":... | 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 | [
-5.328433513641357,
3.689976215362549,
-2.9779019355773926,
1.8129271268844604,
-3.4466168880462646,
3.97692608833313,
-3.156987428665161,
1.0070544481277466,
-3.249133348464966,
1.3887053728103638,
5.581321716308594,
-0.30719494819641113,
4.17349100112915,
4.175113677978516,
-4.41989231... |
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":59.99... | 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 | [
-1.0882132053375244,
4.6988019943237305,
-2.833378314971924,
4.929753303527832,
-0.37886595726013184,
4.133195877075195,
-2.738370180130005,
-1.3747612237930298,
-1.7498656511306763,
0.13516218960285187,
3.982253074645996,
-3.5388264656066895,
4.977351665496826,
2.9774296283721924,
-3.44... |
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,"gamm... | 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 | [
-5.30571985244751,
9.502739906311035,
-4.690996170043945,
1.2579598426818848,
0.3124616742134094,
9.682086944580078,
1.3460782766342163,
-2.48531436920166,
4.074077606201172,
0.2223731279373169,
11.01641845703125,
0.5459155440330505,
1.5291686058044434,
4.853522300720215,
-5.480722904205... |
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"... | 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 | [
-3.699763059616089,
5.8200178146362305,
-4.148318290710449,
2.7709479331970215,
2.365293502807617,
6.0982842445373535,
1.8654460906982422,
-2.955662488937378,
-0.49134787917137146,
-2.728855609893799,
2.2451603412628174,
1.304837703704834,
2.580749273300171,
0.6714043021202087,
-5.838029... |
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"... | 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 | [
-4.946556091308594,
2.5598597526550293,
-4.024080753326416,
3.2419490814208984,
-3.7607665061950684,
1.8477261066436768,
-3.232118844985962,
-0.6254430413246155,
-1.960067868232727,
1.3686730861663818,
4.738890171051025,
-0.2184540182352066,
2.1112539768218994,
4.31558084487915,
-3.02192... |
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":... | 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 | [
-4.461581230163574,
3.1958560943603516,
1.418686032295227,
3.986100912094116,
0.49643582105636597,
5.010378360748291,
-10.79792308807373,
-2.9110732078552246,
0.5169203877449036,
-5.047738552093506,
2.1456027030944824,
-2.9759674072265625,
0.7952873110771179,
8.728925704956055,
-7.678724... |
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":5.155712... | 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 | [
-5.207149505615234,
3.4276044368743896,
-0.8507009148597717,
6.352844715118408,
0.5828213095664978,
4.092627048492432,
-9.181069374084473,
-3.029529571533203,
-4.56717586517334,
-0.3186490535736084,
2.676844358444214,
-2.491262197494507,
-2.8828184604644775,
5.499739170074463,
-6.7478308... |
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,"gam... | 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 | [
0.05727943778038025,
2.31736159324646,
-2.7557735443115234,
3.7502121925354004,
-0.6691079139709473,
0.10254708677530289,
-7.029025554656982,
-1.1224138736724854,
0.48808491230010986,
-4.453189849853516,
0.20028996467590332,
-2.5314948558807373,
0.7719751596450806,
3.77184796333313,
-2.4... |
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":5.9... | 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 | [
-1.7577794790267944,
6.852008819580078,
-3.84539794921875,
-0.9027138352394104,
-1.185028314590454,
5.0545430183410645,
-4.755885124206543,
-2.718292713165283,
2.158015727996826,
-10.077728271484375,
0.23084653913974762,
-2.6991612911224365,
0.5812323689460754,
2.456810474395752,
-4.8024... |
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":11... | 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 | [
-4.729057312011719,
8.268588066101074,
-5.19640588760376,
2.2670207023620605,
0.6674210429191589,
8.801719665527344,
0.03628993779420853,
-1.2546813488006592,
3.4142870903015137,
1.0439563989639282,
11.363073348999023,
-0.03482624888420105,
1.513768196105957,
6.401494979858398,
-5.707180... |
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... | 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 | [
0.7115534543991089,
2.5850443840026855,
-2.9179654121398926,
0.8497292995452881,
-1.5227094888687134,
0.09544093906879425,
-5.6656999588012695,
-0.35437583923339844,
-2.3295161724090576,
-5.746436595916748,
-0.7827996015548706,
-2.3161299228668213,
1.4649131298065186,
1.9823540449142456,
... |
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,"be... | 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 | [
-4.588124752044678,
9.18781852722168,
-5.8912577629089355,
0.5968151092529297,
1.9896490573883057,
4.623845100402832,
-0.8752591609954834,
-1.0883209705352783,
0.4835786521434784,
-2.8313934803009033,
4.551380157470703,
-0.8734328150749207,
2.7547264099121094,
6.233311653137207,
-6.40669... |
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.... | 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 | [
-0.12054166942834854,
11.871780395507812,
-9.200826644897461,
3.627945899963379,
0.6602941155433655,
11.090402603149414,
-1.7177231311798096,
0.06845259666442871,
1.098394513130188,
-1.8633216619491577,
9.314058303833008,
-1.3978500366210938,
3.6879920959472656,
5.789930820465088,
-9.046... |
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":6.05... | 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 | [
-1.8120472431182861,
3.1373424530029297,
-0.9803737998008728,
-0.5220924019813538,
-0.03260166198015213,
2.93986439704895,
-8.140952110290527,
-4.567098617553711,
0.2535526752471924,
-11.559632301330566,
-3.6973328590393066,
-2.2537450790405273,
0.0022925606463104486,
1.279846429824829,
... |
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.... | 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 | [
-0.7330611944198608,
3.3656022548675537,
-1.0287734270095825,
1.9716099500656128,
-0.8455462455749512,
1.4189727306365967,
-6.132014274597168,
-3.864165782928467,
-0.08246341347694397,
-3.8465957641601562,
1.3750413656234741,
-0.4817224144935608,
1.81648850440979,
7.841353416442871,
-3.8... |
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":5.50... | 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 | [
-3.3539464473724365,
5.159384250640869,
-2.0711655616760254,
3.645106792449951,
1.530005931854248,
2.8689656257629395,
-3.879448175430298,
-1.9588360786437988,
2.8578920364379883,
1.2714000940322876,
3.5366880893707275,
-2.9449820518493652,
-0.21581846475601196,
2.948686122894287,
-2.023... |
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":134.651... | 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 | [
-8.984010696411133,
5.791852951049805,
-2.84700870513916,
0.7811284065246582,
-6.55282735824585,
-0.2765997350215912,
-5.038074016571045,
-2.7326467037200928,
0.02264685556292534,
1.4653173685073853,
5.618595600128174,
-3.2098565101623535,
-2.010491371154785,
7.343419551849365,
-4.828423... |
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":220.3... | 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 | [
-4.427974700927734,
6.46661901473999,
-2.4241385459899902,
2.037724256515503,
-3.6578142642974854,
8.429505348205566,
-0.05214621499180794,
0.559876024723053,
0.7973802089691162,
-1.8817287683486938,
5.359790325164795,
0.8341655731201172,
2.6516401767730713,
1.524902582168579,
-8.1312093... |
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"... | 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 | [
-4.452938079833984,
6.289185047149658,
-2.429738998413086,
4.796579837799072,
0.14045321941375732,
0.1123250350356102,
-6.507013320922852,
0.06843888759613037,
0.4961231052875519,
-4.437949180603027,
0.899552047252655,
-2.8266475200653076,
0.7502573728561401,
4.623007774353027,
-6.860607... |
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":... | 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 | [
-2.055058479309082,
4.199970722198486,
0.8280094861984253,
3.1985394954681396,
-0.1039244756102562,
3.384519577026367,
-3.4348652362823486,
1.8012192249298096,
-0.452625572681427,
-3.754290819168091,
3.164440155029297,
-3.043607473373413,
2.082068681716919,
-0.28691691160202026,
-1.86031... |
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":5.11009158... | 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 | [
-2.6789846420288086,
2.8234376907348633,
-4.913912296295166,
1.5062472820281982,
-0.4433276951313019,
2.7085859775543213,
-0.054080843925476074,
-2.523942232131958,
0.7401497960090637,
-2.1820390224456787,
8.166265487670898,
-3.460524559020996,
-0.47019267082214355,
-0.9782639145851135,
... |
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... | 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 | [
-1.848305583000183,
3.957103729248047,
-3.6772971153259277,
-0.6093676686286926,
1.9077931642532349,
2.8460958003997803,
-2.8512024879455566,
-1.5489071607589722,
1.615180253982544,
-1.8575114011764526,
4.303009986877441,
-2.041752576828003,
0.6573523283004761,
0.0037146012764424086,
-2.... |
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,"be... | 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 | [
-6.0281877517700195,
6.156918525695801,
-0.965893566608429,
-0.1481223702430725,
3.508174419403076,
4.210268020629883,
-2.5714924335479736,
-0.46508699655532837,
0.33250781893730164,
0.44227704405784607,
4.538969039916992,
-1.381888508796692,
3.1254971027374268,
5.305147647857666,
-3.790... |
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":229.68956... | 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 | [
-1.9771215915679932,
4.443681716918945,
-2.6357481479644775,
1.75608491897583,
0.9820469617843628,
1.1087502241134644,
0.3826664388179779,
-2.73124098777771,
4.372973442077637,
-1.2747704982757568,
13.787864685058594,
2.1250782012939453,
-3.5999999046325684,
0.26755291223526,
-5.36171531... |
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.... | 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 | [
-4.413402080535889,
12.061771392822266,
-5.303866386413574,
3.977525234222412,
1.082671046257019,
10.629502296447754,
-2.435884475708008,
-4.235012531280518,
2.3562328815460205,
-6.12938928604126,
9.084644317626953,
-5.957896709442139,
-1.9978272914886475,
6.828604221343994,
-9.344279289... |
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":... | 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 | [
-7.33720064163208,
8.803238868713379,
-4.4881672859191895,
5.316332817077637,
-0.18716195225715637,
2.470311164855957,
-6.5995965003967285,
3.5660979747772217,
0.8355595469474792,
-5.68937873840332,
2.568122625350952,
-4.639976501464844,
-0.10289537906646729,
3.3528285026550293,
-8.12661... |
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,"g... | 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 | [
-3.850651502609253,
10.151079177856445,
-7.103994846343994,
-0.6353609561920166,
-2.8098862171173096,
9.388191223144531,
-2.2774181365966797,
-3.1624269485473633,
5.783236503601074,
-5.636632442474365,
7.234206199645996,
-2.453662633895874,
1.8632969856262207,
5.994874477386475,
-8.75981... |
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":5.3142... | 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 | [
-2.8341610431671143,
6.524393558502197,
0.28724005818367004,
3.8195559978485107,
1.1705496311187744,
6.480288505554199,
-5.423714637756348,
0.409261018037796,
0.31017982959747314,
-5.139272689819336,
-1.0834897756576538,
-2.347684144973755,
1.10875403881073,
4.304440498352051,
-4.5608706... |
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":... | 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 | [
1.6310577392578125,
2.41333270072937,
-1.0942201614379883,
3.110553741455078,
1.6671520471572876,
1.392155408859253,
-2.374420642852783,
-4.85351037979126,
1.7790727615356445,
-1.5488917827606201,
5.853646278381348,
2.856459856033325,
2.0802154541015625,
4.112521171569824,
1.423375368118... |
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":321.4... | 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+"
] | true | null | null | null | null | null | null | null | false | false | false | false | true | [
-4.810425758361816,
7.252191066741943,
-3.5854196548461914,
0.6391551494598389,
-1.3820691108703613,
8.536117553710938,
-4.06488037109375,
-0.6755201816558838,
1.8354114294052124,
-3.602780342102051,
3.2678985595703125,
2.073883295059204,
6.950275421142578,
4.514293193817139,
-4.76402235... |
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,"gamm... | 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 | [
0.4121866524219513,
0.8532364368438721,
-2.4547786712646484,
-0.011812054552137852,
-2.1445484161376953,
2.6143288612365723,
-8.11005973815918,
-0.32013779878616333,
0.34287241101264954,
-5.598836421966553,
-5.012448787689209,
2.8384475708007812,
0.6398234367370605,
-1.0792104005813599,
... |
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... | 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 | [
-6.346209526062012,
3.3662221431732178,
-2.4913744926452637,
3.0440776348114014,
-5.241682529449463,
-0.3008474111557007,
-4.158560276031494,
-0.37783727049827576,
-0.19252030551433563,
0.5605667233467102,
5.612404823303223,
-1.187668800354004,
0.427085816860199,
3.6260452270507812,
-2.2... |
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":8.350... | 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 | [
-0.09022330492734909,
5.433689117431641,
-1.6363139152526855,
1.0538713932037354,
2.6964921951293945,
1.2787121534347534,
-5.521434307098389,
-1.4312928915023804,
0.1196049302816391,
-1.2992064952850342,
0.9423783421516418,
-3.990931987762451,
-2.155304431915283,
0.9463341236114502,
-4.2... |
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.... | 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 | [
0.9426731467247009,
3.974074602127075,
-1.436249852180481,
3.3756508827209473,
0.27191901206970215,
0.18844448029994965,
-7.714427471160889,
-3.2639987468719482,
0.1479584276676178,
0.7252360582351685,
-3.447814464569092,
-3.651278495788574,
-2.4771220684051514,
2.3154428005218506,
-2.80... |
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... | 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 | [
-2.5385916233062744,
5.313985824584961,
-1.6723847389221191,
2.335714817047119,
0.027651116251945496,
-0.3017570376396179,
-0.41016218066215515,
-4.9770283699035645,
1.9224423170089722,
0.7163293361663818,
12.98796272277832,
1.3446696996688843,
-2.5174596309661865,
4.4027628898620605,
-2... |
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":8.91... | 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 | [
-5.496222496032715,
8.997369766235352,
-3.743328094482422,
2.5587713718414307,
-1.8035166263580322,
8.970499038696289,
-1.7658367156982422,
1.9662472009658813,
0.31334733963012695,
-1.790120005607605,
3.630683183670044,
-2.014087200164795,
3.7128822803497314,
5.678302764892578,
-5.011632... |
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... | 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 | [
-2.5910439491271973,
4.919527530670166,
-2.075395345687866,
4.2754225730896,
-1.3546878099441528,
0.09302688390016556,
-4.778170585632324,
1.5647178888320923,
-0.6549017429351807,
-3.2280235290527344,
1.3097361326217651,
-2.3880062103271484,
-1.69334876537323,
3.003509998321533,
-1.55480... |
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":7.8730... | 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 | [
"K+",
"Te2-",
"Dy3+",
"Bi3+"
] | true | null | null | null | null | null | null | null | false | false | false | false | true | [
-0.7629233598709106,
1.1572978496551514,
-1.7791502475738525,
1.7838972806930542,
0.23090235888957977,
3.359494686126709,
-0.8006104230880737,
-1.2959167957305908,
1.6406190395355225,
-1.3282997608184814,
7.207319736480713,
1.9740420579910278,
2.568849563598633,
1.5207782983779907,
-0.22... |
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.... | 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 | [
-1.7876255512237549,
5.471956729888916,
-2.431058883666992,
3.863603115081787,
0.41976210474967957,
3.2488739490509033,
-4.813305377960205,
-0.19467870891094208,
-2.2993264198303223,
-0.714138925075531,
0.7784807085990906,
-4.722294330596924,
-1.546290397644043,
2.5054373741149902,
-3.83... |
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... | 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 | [
-0.8708361387252808,
4.112415313720703,
0.2546883225440979,
1.4986164569854736,
-2.1479439735412598,
-0.4195617437362671,
-4.271689414978027,
-2.7887656688690186,
1.8902151584625244,
-2.1776883602142334,
-1.279693603515625,
-2.3265058994293213,
-1.1782559156417847,
3.825099468231201,
-3.... |
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... | 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 | [
"Na+",
"O2-",
"Eu3+",
"Bi5+"
] | true | null | null | null | null | null | null | null | false | false | false | false | true | [
-1.6826763153076172,
3.7450573444366455,
0.8487777709960938,
2.474264621734619,
1.1920362710952759,
-0.9623171091079712,
-3.2234787940979004,
-2.322659492492676,
1.48029363155365,
-3.9860804080963135,
2.2718565464019775,
0.4898267090320587,
-3.585340976715088,
1.9967650175094604,
0.52540... |
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":6.34112... | 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 | [
-2.364698648452759,
3.2235019207000732,
-4.511967658996582,
3.494654893875122,
-0.19444803893566132,
5.335557460784912,
-5.35857629776001,
0.3409569561481476,
-0.9460318088531494,
-4.43414306640625,
3.134093999862671,
-1.873894453048706,
2.295064687728882,
0.7356967329978943,
-5.09922742... |
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":120.00... | 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 | [
-2.2894198894500732,
4.331355094909668,
-2.2209231853485107,
3.892521858215332,
-2.1682705879211426,
0.38767534494400024,
-4.0623626708984375,
1.3347476720809937,
-1.3726134300231934,
-3.6723792552948,
1.8720057010650635,
-1.49338698387146,
-1.483845829963684,
1.8343616724014282,
-2.3369... |
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"... | 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 | [
-3.8123812675476074,
5.418107032775879,
-4.192194938659668,
3.716276168823242,
2.1242618560791016,
3.5042994022369385,
-2.5824034214019775,
-4.712705612182617,
4.311522006988525,
-2.8897056579589844,
11.826025009155273,
-4.01314115524292,
-4.384005546569824,
-0.2928800880908966,
-7.89209... |
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... | 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 | [
"O2-",
"Er3+",
"Cr3+",
"Ti4+"
] | true | null | null | null | null | null | null | null | false | false | false | false | true | [
-1.3878406286239624,
2.7303824424743652,
0.4666341543197632,
5.174059867858887,
-0.4043956696987152,
5.092855453491211,
-2.56961727142334,
1.9231065511703491,
0.38978660106658936,
-3.7869412899017334,
-0.006366739049553871,
-2.896817684173584,
-1.3864777088165283,
3.91953182220459,
-2.66... |
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... | 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 | [
"U5+",
"Na+",
"S2-",
"Gd3+"
] | true | null | null | null | null | null | null | null | false | false | false | false | true | [
-1.2822365760803223,
2.988875389099121,
-0.03647485002875328,
2.817232608795166,
2.573246717453003,
3.2445831298828125,
-0.897201657295227,
-4.109457015991211,
3.3650870323181152,
-3.89693284034729,
5.197106838226318,
1.8929857015609741,
0.18739718198776245,
2.3915154933929443,
-0.950622... |
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... | 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 | [
-2.777785301208496,
8.625367164611816,
-9.022705078125,
5.8448028564453125,
6.370347023010254,
11.621499061584473,
0.844045102596283,
-1.4187577962875366,
2.5450491905212402,
-0.37558940052986145,
13.480241775512695,
-2.318031072616577,
1.5201752185821533,
4.8443217277526855,
-6.29636001... |
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":7.3502... | 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 | [
-2.5739998817443848,
8.750945091247559,
-9.130922317504883,
8.627663612365723,
11.624160766601562,
13.600266456604004,
-1.591909646987915,
-1.6224384307861328,
9.134620666503906,
-0.4517393410205841,
17.866212844848633,
-5.29106330871582,
3.2699413299560547,
8.869586944580078,
-10.190453... |
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":145.468... | 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 | [
2.772468090057373,
9.097233772277832,
-1.7113053798675537,
3.3573551177978516,
-2.9233837127685547,
1.1492161750793457,
-4.851819038391113,
-0.19061148166656494,
0.09781055152416229,
-11.16127872467041,
-3.4195868968963623,
3.770303726196289,
-1.7818325757980347,
-1.3578603267669678,
-1.... |
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":8.6619529... | 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 | [
"Th4+",
"Sr2+",
"Bi3-"
] | true | null | null | null | null | null | null | null | false | false | false | false | true | [
0.627672016620636,
1.2147668600082397,
2.6485848426818848,
0.09558425843715668,
-0.3536117970943451,
-0.5511114597320557,
-0.9041270017623901,
-3.8065125942230225,
1.0529870986938477,
1.9727251529693604,
9.503496170043945,
2.26600980758667,
1.2830876111984253,
4.2400031089782715,
-1.1884... |
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,"g... | 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 | [
-1.8187111616134644,
6.228508949279785,
-1.2072978019714355,
2.6316144466400146,
-0.9221967458724976,
1.0803611278533936,
-2.180069923400879,
-4.487421035766602,
0.47560498118400574,
-7.097519874572754,
3.545958995819092,
1.4489680528640747,
-0.5078670382499695,
2.7551629543304443,
-2.77... |
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":8.5... | 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 | [
-0.26718375086784363,
1.966500997543335,
-0.5946142673492432,
0.46015194058418274,
0.584416389465332,
2.0693745613098145,
-2.1967952251434326,
-7.24959659576416,
1.5263233184814453,
1.5682066679000854,
9.242788314819336,
-1.537084937095642,
1.4419844150543213,
6.792826175689697,
-3.36898... |
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":7.942360... | 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 | [
-1.042860746383667,
2.7339372634887695,
1.9218406677246094,
1.1111547946929932,
0.34579768776893616,
0.19359438121318817,
-0.9391322135925293,
-4.433661937713623,
1.1763577461242676,
-5.219051837921143,
3.7649648189544678,
-3.033926248550415,
-1.3414604663848877,
0.18474234640598297,
-1.... |
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":7.784... | 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 | [
-5.257350444793701,
4.657179832458496,
-3.24157452583313,
2.2539007663726807,
-2.9847869873046875,
0.9446168541908264,
-5.66494083404541,
-1.4854214191436768,
-2.805490732192993,
0.8558909296989441,
5.541340351104736,
-2.3225929737091064,
0.48575475811958313,
7.911525249481201,
-5.927541... |
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":7.72824... | 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+"
] | true | null | null | null | null | null | null | null | false | false | false | false | true | [
-5.867438316345215,
10.977384567260742,
-2.601121664047241,
3.0255720615386963,
-3.3164358139038086,
10.496400833129883,
1.2773768901824951,
-1.406158685684204,
4.911376476287842,
-3.9801199436187744,
8.41518497467041,
-0.038974061608314514,
2.5170481204986572,
5.076413631439209,
-10.761... |
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":8.95... | 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 | [
-10.471753120422363,
9.937196731567383,
-4.853334903717041,
2.612835645675659,
2.3284013271331787,
11.482176780700684,
-3.9381353855133057,
-2.0678930282592773,
5.633084297180176,
0.6652640700340271,
17.61761474609375,
-3.3853745460510254,
5.7404255867004395,
2.4498848915100098,
-11.9756... |
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":7.5... | 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 | [
"Ag+",
"Se2-",
"Dy3+",
"Ba2+"
] | true | null | null | null | null | null | null | null | false | false | false | false | true | [
0.008857740089297295,
5.122457027435303,
-1.138787865638733,
0.6139664053916931,
0.3054101765155792,
3.8394763469696045,
-0.5069998502731323,
-1.7246490716934204,
-1.065693736076355,
-0.6960549354553223,
5.422313213348389,
1.7537486553192139,
1.7799211740493774,
2.576366662979126,
0.7311... |
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":... | 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 | [
-9.047810554504395,
6.400262832641602,
-7.594577312469482,
2.448462963104248,
2.835090398788452,
11.911459922790527,
-2.2483627796173096,
-3.101658821105957,
5.50554895401001,
0.9346854090690613,
18.925872802734375,
-4.185776233673096,
-4.604230880737305,
-0.7608637809753418,
-14.5683898... |
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.... | 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 | [
-0.5866293907165527,
2.099724769592285,
-0.6638917326927185,
1.0311596393585205,
-1.7389453649520874,
2.078634738922119,
-2.2792952060699463,
-3.851152181625366,
0.021105246618390083,
2.5671770572662354,
9.65589714050293,
0.8986018896102905,
3.312074899673462,
2.7565085887908936,
-2.6928... |
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