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"results": [
{
"id": "mp-1190581",
"created_at": "2022-09-04T14:45:35.791090Z",
"structure_string": "Re8 Si14\n1.0\n0.000000 3.158900 0.000000\n0.415481 0.000000 -8.333422\n-11.649637 -1.579450 0.000000\nRe Si\n8 14\ndirect\n0.149103 0.588715 0.298206 Re\n0.274281 0.479876 0.548562 Re\n0.398329 0.366614 0.796657 Re\n0.522842 0.223691 0.045684 Re\n0.652366 0.109696 0.304732 Re\n0.768564 0.969969 0.537129 Re\n0.898463 0.850088 0.796926 Re\n0.023765 0.715986 0.047531 Re\n0.182967 0.889461 0.365935 Si\n0.316279 0.788114 0.632557 Si\n0.441997 0.655228 0.883994 Si\n0.567704 0.523632 0.135409 Si\n0.690199 0.394451 0.380397 Si\n0.826546 0.234946 0.653091 Si\n0.995636 0.000231 0.991271 Si\n0.104901 0.294120 0.209801 Si\n0.234744 0.184223 0.469487 Si\n0.730073 0.684764 0.460147 Si\n0.855523 0.560365 0.711046 Si\n0.980863 0.421546 0.961726 Si\n0.578446 0.896825 0.156892 Si\n0.414279 0.080855 0.828558 Si\n",
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"density": 10.195155787249252,
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"volume": 306.6702489308976,
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"spacegroup": 8
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{
"id": "mp-11697",
"created_at": "2022-09-04T14:44:58.987290Z",
"structure_string": "Ta2 Sb4\n1.0\n1.846218 5.174580 0.000000\n-1.846218 5.174580 0.000000\n0.000000 4.245709 7.236712\nTa Sb\n2 4\ndirect\n0.150727 0.150727 0.311397 Ta\n0.849273 0.849273 0.688603 Ta\n0.851589 0.851589 0.034779 Sb\n0.148411 0.148411 0.965221 Sb\n0.594761 0.594761 0.612468 Sb\n0.405239 0.405239 0.387532 Sb\n",
"nsites": 6,
"nelements": 2,
"elements": [
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"chemical_system": "Sb-Ta",
"density": 10.195171926099409,
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"volume": 138.2704484762032,
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"formula_full": "Ta2 Sb4",
"formula_reduced": "TaSb2",
"formula_anonymous": "AB2",
"energy": -41.86178846,
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"updated_at": "2021-11-28T01:36:54.122000Z",
"spacegroup": 12
},
{
"id": "mp-1025143",
"created_at": "2022-09-04T14:40:53.262057Z",
"structure_string": "Dy1 B2 Rh3\n1.0\n2.721626 -4.713995 0.000000\n2.721626 4.713995 0.000000\n0.000000 0.000000 3.128198\nDy B Rh\n1 2 3\ndirect\n0.000000 0.000000 0.500000 Dy\n0.666667 0.333333 0.500000 B\n0.333333 0.666667 0.500000 B\n0.000000 0.500000 0.000000 Rh\n0.500000 0.500000 0.000000 Rh\n0.500000 0.000000 0.000000 Rh\n",
"nsites": 6,
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"elements": [
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"B",
"Rh"
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"chemical_system": "B-Dy-Rh",
"density": 10.195579893572331,
"density_atomic": 0.07474970068710539,
"volume": 80.26787993593963,
"volume_molar": 8.056407858016803,
"formula_full": "Dy1 B2 Rh3",
"formula_reduced": "DyB2Rh3",
"formula_anonymous": "AB2C3",
"energy": -44.28268164,
"energy_per_atom": -7.38044694,
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"updated_at": "2021-11-28T01:34:59.367000Z",
"spacegroup": 191
},
{
"id": "mp-976142",
"created_at": "2022-09-04T14:39:18.214902Z",
"structure_string": "Pr1 Dy1 Tl2\n1.0\n0.000000 3.870713 3.870713\n3.870713 0.000000 3.870713\n3.870713 3.870713 0.000000\nPr Dy Tl\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Pr\n0.500000 0.500000 0.500000 Dy\n0.250000 0.250000 0.250000 Tl\n0.750000 0.750000 0.750000 Tl\n",
"nsites": 4,
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"elements": [
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"Tl"
],
"chemical_system": "Dy-Pr-Tl",
"density": 10.196061713673943,
"density_atomic": 0.034487132248103916,
"volume": 115.9852889832531,
"volume_molar": 17.46199340866069,
"formula_full": "Pr1 Dy1 Tl2",
"formula_reduced": "PrDyTl2",
"formula_anonymous": "ABC2",
"energy": -15.57270097,
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"updated_at": "2021-11-28T01:34:25.533000Z",
"spacegroup": 225
},
{
"id": "mp-974371",
"created_at": "2022-09-04T14:45:58.863901Z",
"structure_string": "Rh3 Br1\n1.0\n-2.053718 2.053718 3.751260\n2.053718 -2.053718 3.751260\n2.053718 2.053718 -3.751260\nRh Br\n3 1\ndirect\n0.750000 0.250000 0.500000 Rh\n0.250000 0.750000 0.500000 Rh\n0.500000 0.500000 0.000000 Rh\n0.000000 0.000000 0.000000 Br\n",
"nsites": 4,
"nelements": 2,
"elements": [
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],
"chemical_system": "Br-Rh",
"density": 10.196615127173521,
"density_atomic": 0.06320351251939067,
"volume": 63.28762185128256,
"volume_molar": 9.528174178851883,
"formula_full": "Rh3 Br1",
"formula_reduced": "Rh3Br",
"formula_anonymous": "AB3",
"energy": -21.52227071,
"energy_per_atom": -5.3805676775,
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"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:37:16.310000Z",
"spacegroup": 139
},
{
"id": "mp-1104088",
"created_at": "2022-09-04T14:45:36.732309Z",
"structure_string": "Tb6 Pd8\n1.0\n4.294323 -6.658669 0.000000\n4.294323 6.658669 0.000000\n-6.030441 0.000000 5.139344\nTb Pd\n6 8\ndirect\n0.974063 0.596533 0.720494 Tb\n0.720494 0.974063 0.596533 Tb\n0.596533 0.720494 0.974063 Tb\n0.025937 0.403467 0.279506 Tb\n0.279506 0.025937 0.403467 Tb\n0.403467 0.279506 0.025937 Tb\n0.000000 0.000000 0.000000 Pd\n0.500000 0.500000 0.500000 Pd\n0.939119 0.775416 0.448295 Pd\n0.448295 0.939119 0.775416 Pd\n0.775416 0.448295 0.939119 Pd\n0.060881 0.224584 0.551705 Pd\n0.551705 0.060881 0.224584 Pd\n0.224584 0.551705 0.060881 Pd\n",
"nsites": 14,
"nelements": 2,
"elements": [
"Tb",
"Pd"
],
"chemical_system": "Pd-Tb",
"density": 10.197303290686841,
"density_atomic": 0.04763303106794446,
"volume": 293.91369153120223,
"volume_molar": 12.64278301208657,
"formula_full": "Tb6 Pd8",
"formula_reduced": "Tb3Pd4",
"formula_anonymous": "A3B4",
"energy": -82.20732644,
"energy_per_atom": -5.871951888571429,
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"updated_at": "2021-11-28T01:37:02.500000Z",
"spacegroup": 148
},
{
"id": "mp-1105662",
"created_at": "2022-09-04T14:48:14.816977Z",
"structure_string": "Sm4 Ge8 Ir4\n1.0\n-2.174565 4.496688 8.124273\n2.174565 -4.496688 8.124273\n2.174565 4.496688 -8.124273\nSm Ge Ir\n4 8 4\ndirect\n0.260319 0.000000 0.260319 Sm\n0.739681 0.000000 0.739681 Sm\n0.293709 0.793709 0.500000 Sm\n0.706291 0.206291 0.500000 Sm\n0.921561 0.421561 0.500000 Ge\n0.078439 0.578439 0.500000 Ge\n0.422654 0.422654 0.000000 Ge\n0.577346 0.577346 0.000000 Ge\n0.046216 0.199686 0.846530 Ge\n0.953784 0.800314 0.153470 Ge\n0.353155 0.199686 0.153470 Ge\n0.646845 0.800314 0.846530 Ge\n0.102435 0.353669 0.748766 Ir\n0.897565 0.646330 0.251234 Ir\n0.604904 0.353669 0.251234 Ir\n0.395096 0.646331 0.748766 Ir\n",
"nsites": 16,
"nelements": 3,
"elements": [
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"Ge",
"Ir"
],
"chemical_system": "Ge-Ir-Sm",
"density": 10.197459300424171,
"density_atomic": 0.05035125893263613,
"volume": 317.7676256596892,
"volume_molar": 11.960258566835225,
"formula_full": "Sm4 Ge8 Ir4",
"formula_reduced": "SmGe2Ir",
"formula_anonymous": "ABC2",
"energy": -104.13984242,
"energy_per_atom": -6.50874015125,
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"total_magnetization": 6.6e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:45.479000Z",
"spacegroup": 71
},
{
"id": "mp-1213025",
"created_at": "2022-09-04T14:40:52.920475Z",
"structure_string": "Er4 Sb4 Rh4\n1.0\n4.507344 0.000000 0.000000\n0.000000 7.173159 0.000000\n0.000000 0.000000 7.894805\nEr Sb Rh\n4 4 4\ndirect\n0.250000 0.512517 0.193777 Er\n0.750000 0.487483 0.806223 Er\n0.750000 0.987483 0.693777 Er\n0.250000 0.012517 0.306223 Er\n0.250000 0.682869 0.589357 Sb\n0.750000 0.317131 0.410643 Sb\n0.750000 0.817131 0.089357 Sb\n0.250000 0.182869 0.910643 Sb\n0.250000 0.795535 0.911629 Rh\n0.750000 0.204465 0.088371 Rh\n0.750000 0.704465 0.411629 Rh\n0.250000 0.295535 0.588371 Rh\n",
"nsites": 12,
"nelements": 3,
"elements": [
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"Sb",
"Rh"
],
"chemical_system": "Er-Rh-Sb",
"density": 10.198561804538103,
"density_atomic": 0.04701199447167441,
"volume": 255.25400772413985,
"volume_molar": 12.809796367240814,
"formula_full": "Er4 Sb4 Rh4",
"formula_reduced": "ErSbRh",
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"energy": -76.08193211,
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"updated_at": "2021-11-28T01:35:09.181000Z",
"spacegroup": 62
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{
"id": "mp-23157",
"created_at": "2022-09-04T14:42:16.611104Z",
"structure_string": "Bi2\n1.0\n3.132578 3.488598 0.000000\n-3.132578 3.488598 0.000000\n0.000000 1.260235 3.113550\nBi\n2\ndirect\n0.753061 0.753061 0.142618 Bi\n0.246939 0.246939 0.857382 Bi\n",
"nsites": 2,
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"formula_full": "Bi2",
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{
"id": "mp-1206707",
"created_at": "2022-09-04T14:41:11.679483Z",
"structure_string": "Ce1 Pb2\n1.0\n-1.697205 1.697205 7.835518\n1.697205 -1.697205 7.835518\n1.697205 1.697205 -7.835518\nCe Pb\n1 2\ndirect\n0.000000 0.000000 0.000000 Ce\n0.341499 0.341499 0.000000 Pb\n0.658501 0.658501 0.000000 Pb\n",
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"density": 10.199217898062972,
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"volume": 90.28098921483402,
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"formula_full": "Ce1 Pb2",
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{
"id": "mp-5676",
"created_at": "2022-09-04T14:44:15.907902Z",
"structure_string": "Mn1 Sb1 Pt1\n1.0\n0.000000 3.116327 3.116327\n3.116327 0.000000 3.116327\n3.116327 3.116327 0.000000\nMn Sb Pt\n1 1 1\ndirect\n0.500000 0.500000 0.500000 Mn\n0.000000 0.000000 0.000000 Sb\n0.250000 0.250000 0.250000 Pt\n",
"nsites": 3,
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"elements": [
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"density": 10.199489763251329,
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"volume": 60.52838174388652,
"volume_molar": 12.150347827889965,
"formula_full": "Mn1 Sb1 Pt1",
"formula_reduced": "MnSbPt",
"formula_anonymous": "ABC",
"energy": -20.64647917,
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"updated_at": "2021-11-28T01:36:27.289000Z",
"spacegroup": 216
},
{
"id": "mp-1221568",
"created_at": "2022-09-04T14:48:18.275630Z",
"structure_string": "Mn1 Sb1 Rh2\n1.0\n2.977864 0.000000 0.000000\n0.000000 2.977864 0.000000\n0.000000 0.000000 7.022129\nMn Sb Rh\n1 1 2\ndirect\n0.500000 0.500000 0.000000 Mn\n0.500000 0.500000 0.500000 Sb\n0.000000 0.000000 0.782486 Rh\n0.000000 0.000000 0.217514 Rh\n",
"nsites": 4,
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"elements": [
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"density": 10.200284481363962,
"density_atomic": 0.06423644069388783,
"volume": 62.26995077547323,
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"formula_full": "Mn1 Sb1 Rh2",
"formula_reduced": "MnSbRh2",
"formula_anonymous": "ABC2",
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"updated_at": "2021-11-28T01:39:04.582000Z",
"spacegroup": 123
}
]
}