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{
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"results": [
{
"id": "mp-758998",
"created_at": "2022-09-04T14:45:19.075925Z",
"structure_string": "Li4 Fe2 Si8 O22\n1.0\n-5.336438 5.336438 3.874972\n5.336438 -5.336438 3.874972\n5.336438 5.336438 -3.874972\nLi Fe Si O\n4 2 8 22\ndirect\n0.657373 0.622215 0.279588 Li\n0.377785 0.657373 0.035158 Li\n0.622215 0.342627 0.964842 Li\n0.342627 0.377785 0.720412 Li\n0.240847 0.240847 0.000000 Fe\n0.759153 0.759153 0.000000 Fe\n0.500811 0.177656 0.286342 Si\n0.108686 0.785531 0.286342 Si\n0.177656 0.891314 0.676845 Si\n0.785531 0.499189 0.676845 Si\n0.822344 0.108686 0.323155 Si\n0.214469 0.500811 0.323155 Si\n0.499189 0.822344 0.713658 Si\n0.891314 0.214469 0.713658 Si\n0.000000 0.000000 0.000000 O\n0.500000 0.500000 0.000000 O\n0.458395 0.218784 0.110863 O\n0.892078 0.652468 0.110863 O\n0.288223 0.034941 0.323164 O\n0.675924 0.408337 0.459727 O\n0.051390 0.783803 0.459727 O\n0.591663 0.051390 0.267587 O\n0.216197 0.675924 0.267587 O\n0.218784 0.107922 0.760389 O\n0.652468 0.541605 0.760389 O\n0.965059 0.288223 0.253282 O\n0.034941 0.711777 0.746718 O\n0.347532 0.458395 0.239611 O\n0.781216 0.892078 0.239611 O\n0.783803 0.324076 0.732413 O\n0.408337 0.948610 0.732413 O\n0.324076 0.591663 0.540273 O\n0.948610 0.216197 0.540273 O\n0.711777 0.965059 0.676836 O\n0.107922 0.347532 0.889137 O\n0.541605 0.781216 0.889137 O\n",
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"spacegroup": 87
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{
"id": "mp-20964",
"created_at": "2022-09-04T14:45:19.078185Z",
"structure_string": "La8 Ni4 Ir4 O24\n1.0\n-0.000276 5.780248 0.001114\n-5.536765 0.001795 7.923384\n5.565411 0.001232 7.944488\nLa Ni Ir O\n8 4 4 24\ndirect\n0.557366 0.869195 0.382093 La\n0.558027 0.367920 0.882455 La\n0.057773 0.631990 0.617287 La\n0.057137 0.130569 0.117657 La\n0.942570 0.367990 0.383242 La\n0.942472 0.869420 0.881876 La\n0.442277 0.130716 0.618447 La\n0.442326 0.632262 0.116954 La\n0.000042 0.499959 0.000054 Ni\n0.499671 0.499927 0.499865 Ni\n0.000035 0.000021 0.499910 Ni\n0.500019 0.000095 0.000047 Ni\n0.999596 0.749114 0.250269 Ir\n0.000378 0.250853 0.749768 Ir\n0.499623 0.250840 0.249781 Ir\n0.500388 0.749163 0.750226 Ir\n0.524642 0.918598 0.829367 O\n0.525718 0.420587 0.327676 O\n0.024600 0.081044 0.670776 O\n0.025858 0.579346 0.172272 O\n0.475252 0.081191 0.170882 O\n0.474348 0.579700 0.671954 O\n0.975328 0.918872 0.329130 O\n0.974248 0.420650 0.827957 O\n0.792692 0.823035 0.628661 O\n0.793906 0.321754 0.128487 O\n0.293952 0.678271 0.371280 O\n0.293123 0.176950 0.871188 O\n0.207393 0.176932 0.371548 O\n0.206071 0.678220 0.871356 O\n0.705646 0.321788 0.628706 O\n0.707295 0.823073 0.128789 O\n0.200068 0.375189 0.576190 O\n0.199930 0.873996 0.077730 O\n0.699910 0.126213 0.422220 O\n0.699837 0.625172 0.923615 O\n0.800302 0.624932 0.423579 O\n0.799737 0.125833 0.922519 O\n0.299948 0.873806 0.577702 O\n0.300496 0.374815 0.076486 O\n",
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"elements": [
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"density": 8.149879022629781,
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"volume": 509.1453308632433,
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"formula_full": "La8 Ni4 Ir4 O24",
"formula_reduced": "La2NiIrO6",
"formula_anonymous": "ABC2D6",
"energy": -319.27567914,
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},
{
"id": "mp-1516756",
"created_at": "2022-09-04T14:45:19.079570Z",
"structure_string": "Ba1 Sr1 Ce1 Cr1 O6\n1.0\n0.000000 -4.180624 -4.180624\n4.180624 -0.000000 -4.180624\n4.180624 -4.180624 0.000000\nBa Sr Ce Cr O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Ba\n0.250000 0.250000 0.250000 Sr\n0.000000 -0.000000 0.000000 Ce\n0.500000 0.500000 0.500000 Cr\n0.734274 0.265726 0.265726 O\n0.265726 0.734274 0.734274 O\n0.734274 0.265726 0.734274 O\n0.265726 0.734274 0.265726 O\n0.734274 0.734274 0.265726 O\n0.265726 0.265726 0.734274 O\n",
"nsites": 10,
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"elements": [
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],
"chemical_system": "Ba-Ce-Cr-O-Sr",
"density": 5.829886788466223,
"density_atomic": 0.06843002144434794,
"volume": 146.13469043163602,
"volume_molar": 8.800436756983371,
"formula_full": "Ba1 Sr1 Ce1 Cr1 O6",
"formula_reduced": "BaSrCeCrO6",
"formula_anonymous": "ABCDE6",
"energy": -79.0323059,
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"spacegroup": 216
},
{
"id": "mp-1184415",
"created_at": "2022-09-04T14:45:19.282315Z",
"structure_string": "Gd2 Ag1 Ru1\n1.0\n0.000000 3.542101 3.542101\n3.542101 0.000000 3.542101\n3.542101 3.542101 0.000000\nGd Ag Ru\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Gd\n0.750000 0.750000 0.750000 Gd\n0.500000 0.500000 0.500000 Ag\n0.000000 0.000000 0.000000 Ru\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Ag-Gd-Ru",
"density": 9.779163200076946,
"density_atomic": 0.045003591504194425,
"volume": 88.88179512577773,
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"formula_full": "Gd2 Ag1 Ru1",
"formula_reduced": "Gd2AgRu",
"formula_anonymous": "ABC2",
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"updated_at": "2021-11-28T01:37:03.992000Z",
"spacegroup": 225
},
{
"id": "mp-1221361",
"created_at": "2022-09-04T14:45:19.100554Z",
"structure_string": "Mn10 Sn2 O16\n1.0\n-6.107612 -0.000876 -0.000053\n0.000876 6.107517 -0.000026\n-0.000079 0.000039 -9.293311\nMn Sn O\n10 2 16\ndirect\n0.000019 0.500003 0.750451 Mn\n0.999990 0.240807 0.378320 Mn\n0.500007 0.742214 0.878380 Mn\n0.000021 0.759212 0.378336 Mn\n0.500008 0.257785 0.878378 Mn\n0.500010 0.999990 0.249531 Mn\n0.742212 0.499993 0.121627 Mn\n0.240818 0.999986 0.621665 Mn\n0.257797 0.500000 0.121619 Mn\n0.759120 0.000016 0.621676 Mn\n0.000008 0.999994 0.000001 Sn\n0.499967 0.500010 0.500027 Sn\n0.771292 0.500094 0.372946 O\n0.269907 0.000001 0.873287 O\n0.228707 0.499976 0.372911 O\n0.730099 0.999959 0.873293 O\n0.000041 0.269895 0.126679 O\n0.499947 0.771312 0.627074 O\n0.999994 0.730103 0.126682 O\n0.499831 0.228696 0.627063 O\n0.771962 0.000023 0.381771 O\n0.271477 0.500042 0.880950 O\n0.228041 0.999902 0.381770 O\n0.728529 0.500004 0.880931 O\n0.500004 0.271467 0.119049 O\n0.000179 0.771998 0.618265 O\n0.499958 0.728521 0.119049 O\n0.000057 0.227998 0.618268 O\n",
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"elements": [
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],
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"density": 4.995048656201988,
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"volume": 346.66227776740976,
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"formula_full": "Mn10 Sn2 O16",
"formula_reduced": "Mn5SnO8",
"formula_anonymous": "AB5C8",
"energy": -234.02925172,
"energy_per_atom": -8.35818756142857,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:37:02.344000Z",
"spacegroup": 119
},
{
"id": "mp-1043361",
"created_at": "2022-09-04T14:45:19.123416Z",
"structure_string": "Mg2 Ni8 O12\n1.0\n1.462641 -4.867501 0.000000\n1.462641 4.867501 0.000000\n0.000000 0.000000 14.778060\nMg Ni O\n2 8 12\ndirect\n0.343400 0.656600 0.750000 Mg\n0.656600 0.343400 0.250000 Mg\n0.136662 0.863338 0.044365 Ni\n0.594195 0.405805 0.635705 Ni\n0.863338 0.136662 0.955635 Ni\n0.405805 0.594195 0.364295 Ni\n0.136662 0.863338 0.455635 Ni\n0.863338 0.136662 0.544365 Ni\n0.405805 0.594195 0.135705 Ni\n0.594195 0.405805 0.864295 Ni\n0.500000 0.500000 0.500000 O\n0.500000 0.500000 0.000000 O\n0.952474 0.047526 0.838576 O\n0.047526 0.952474 0.161424 O\n0.047526 0.952474 0.338576 O\n0.952474 0.047526 0.661424 O\n0.222918 0.777082 0.922540 O\n0.777082 0.222918 0.077460 O\n0.777082 0.222918 0.422540 O\n0.222918 0.777082 0.577460 O\n0.695308 0.304692 0.750000 O\n0.304692 0.695308 0.250000 O\n",
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"density": 5.604127083187285,
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"volume": 210.42203373363103,
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"formula_full": "Mg2 Ni8 O12",
"formula_reduced": "Mg(Ni2O3)2",
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"energy": -139.49083653,
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{
"id": "mp-1227957",
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"structure_string": "Ba1 Fe1 As2 Ru1\n1.0\n-2.047432 2.047432 6.323553\n2.047432 -2.047432 6.323553\n2.047432 2.047432 -6.323553\nBa Fe As Ru\n1 1 2 1\ndirect\n0.000000 0.000000 0.000000 Ba\n0.750000 0.250000 0.500000 Fe\n0.651036 0.651036 0.000000 As\n0.348964 0.348964 0.000000 As\n0.250000 0.750000 0.500000 Ru\n",
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"formula_full": "Ba1 Fe1 As2 Ru1",
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{
"id": "mp-1225162",
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"structure_string": "Eu1 Si3 Ni1\n1.0\n-2.067546 2.067546 4.834862\n2.067546 -2.067546 4.834862\n2.067546 2.067546 -4.834862\nEu Si Ni\n1 3 1\ndirect\n0.987098 0.987098 0.000000 Eu\n0.740840 0.240840 0.500000 Si\n0.240840 0.740840 0.500000 Si\n0.396457 0.396457 0.000000 Si\n0.634765 0.634765 0.000000 Ni\n",
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"density": 5.92365701172939,
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"formula_full": "Eu1 Si3 Ni1",
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{
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"structure_string": "Nb5 Sb4\n1.0\n-5.210218 5.210218 1.792753\n5.210218 -5.210218 1.792753\n5.210218 5.210218 -1.792753\nNb Sb\n5 4\ndirect\n0.000000 0.000000 0.000000 Nb\n0.688274 0.372478 0.060751 Nb\n0.372478 0.311726 0.684204 Nb\n0.627522 0.688274 0.315796 Nb\n0.311726 0.627522 0.939249 Nb\n0.946857 0.293278 0.240135 Sb\n0.293278 0.053143 0.346420 Sb\n0.706722 0.946857 0.653580 Sb\n0.053143 0.706722 0.759865 Sb\n",
"nsites": 9,
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"elements": [
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"volume": 194.66695655401392,
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"formula_full": "Nb5 Sb4",
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"energy": -70.55555409,
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{
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"created_at": "2022-09-04T14:45:19.255103Z",
"structure_string": "Er1 Co2 Si2\n1.0\n-1.931416 1.931416 4.854499\n1.931416 -1.931416 4.854499\n1.931416 1.931416 -4.854499\nEr Co Si\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Er\n0.750000 0.250000 0.500000 Co\n0.250000 0.750000 0.500000 Co\n0.627321 0.627321 0.000000 Si\n0.372679 0.372679 0.000000 Si\n",
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"formula_full": "Er1 Co2 Si2",
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{
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"created_at": "2022-09-04T14:45:19.301282Z",
"structure_string": "Tm2 Ge2 Au2\n1.0\n2.221559 -3.847853 0.000000\n2.221559 3.847853 0.000000\n0.000000 0.000000 7.230094\nTm Ge Au\n2 2 2\ndirect\n0.000000 0.000000 0.497597 Tm\n0.000000 0.000000 0.997597 Tm\n0.333333 0.666667 0.793752 Ge\n0.666667 0.333333 0.293752 Ge\n0.333333 0.666667 0.206652 Au\n0.666667 0.333333 0.706652 Au\n",
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"formula_full": "Tm2 Ge2 Au2",
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"total_magnetization": 0.0014764,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:59.034000Z",
"spacegroup": 186
},
{
"id": "mp-30404",
"created_at": "2022-09-04T14:45:19.379042Z",
"structure_string": "Li2 Sb1 Au1\n1.0\n0.000000 3.308200 3.308200\n3.308200 0.000000 3.308200\n3.308200 3.308200 0.000000\nLi Sb Au\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Li\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Sb\n0.750000 0.750000 0.750000 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Sb",
"Au"
],
"chemical_system": "Au-Li-Sb",
"density": 7.6274130167018885,
"density_atomic": 0.055240134041295366,
"volume": 72.41112045473598,
"volume_molar": 10.901748999193382,
"formula_full": "Li2 Sb1 Au1",
"formula_reduced": "Li2SbAu",
"formula_anonymous": "ABC2",
"energy": -13.56399792,
"energy_per_atom": -3.39099948,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -13.37199792,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003533,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:58.905000Z",
"spacegroup": 216
}
]
}