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{
"id": "mp-1093986",
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"structure_string": "Zr2 Tl1 Tc1\n1.0\n-5.296662 7.270478 10.562975\n5.296662 -7.270478 10.562975\n5.296662 7.270478 -10.562975\nZr Tl Tc\n2 1 1\ndirect\n0.000000 0.211325 0.211325 Zr\n0.000000 0.788675 0.788675 Zr\n0.000000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Tc\n",
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{
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{
"id": "mp-1093987",
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"structure_string": "La2 Mg1 In1\n1.0\n-6.272669 6.413873 8.674547\n6.272669 -6.413873 8.674547\n6.272669 6.413873 -8.674547\nLa Mg In\n2 1 1\ndirect\n0.000000 0.262881 0.262881 La\n0.000000 0.737119 0.737119 La\n0.000000 0.000000 0.000000 Mg\n0.000000 0.500000 0.500000 In\n",
"nsites": 4,
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"elements": [
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],
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"density": 0.4959487776003232,
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"volume": 1395.9810505257492,
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"formula_full": "La2 Mg1 In1",
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"updated_at": "2021-11-28T01:34:42.376000Z",
"spacegroup": 71
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{
"id": "mp-1097614",
"created_at": "2022-09-04T14:48:23.108207Z",
"structure_string": "Ti2 Mn1 Mo1\n1.0\n-4.851836 5.401343 7.872859\n4.851836 -5.401343 7.872859\n4.851836 5.401343 -7.872859\nTi Mn Mo\n2 1 1\ndirect\n0.000000 0.270230 0.270230 Ti\n0.000000 0.729770 0.729770 Ti\n0.000000 0.000000 0.000000 Mn\n0.000000 0.500000 0.500000 Mo\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Mn-Mo-Ti",
"density": 0.4962071839820986,
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"volume": 825.2781262259814,
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"formula_full": "Ti2 Mn1 Mo1",
"formula_reduced": "Ti2MnMo",
"formula_anonymous": "ABC2",
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"energy_uncorrected": -21.82029665,
"band_gap": 0.0,
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"updated_at": "2021-11-28T01:39:29.339000Z",
"spacegroup": 71
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{
"id": "mp-1093698",
"created_at": "2022-09-04T14:47:08.180505Z",
"structure_string": "Y2 Co1 Cu1\n1.0\n-5.048683 5.942101 8.373045\n5.048683 -5.942101 8.373045\n5.048683 5.942101 -8.373045\nY Co Cu\n2 1 1\ndirect\n0.000000 0.222760 0.222760 Y\n0.000000 0.777240 0.777240 Y\n0.000000 0.000000 0.000000 Co\n0.000000 0.500000 0.500000 Cu\n",
"nsites": 4,
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"chemical_system": "Co-Cu-Y",
"density": 0.4962833590048149,
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"volume": 1004.758175836681,
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"formula_full": "Y2 Co1 Cu1",
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"energy_uncorrected": -15.12406158,
"band_gap": 0.0,
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"updated_at": "2021-11-28T01:37:54.142000Z",
"spacegroup": 71
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{
"id": "mp-1095864",
"created_at": "2022-09-04T14:46:15.160417Z",
"structure_string": "Sc2 Ga1 Rh1\n1.0\n-5.017930 5.552297 7.874631\n5.017930 -5.552297 7.874631\n5.017930 5.552297 -7.874631\nSc Ga Rh\n2 1 1\ndirect\n0.000000 0.273002 0.273002 Sc\n0.000000 0.726998 0.726998 Sc\n0.000000 0.000000 0.000000 Ga\n0.000000 0.500000 0.500000 Rh\n",
"nsites": 4,
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"elements": [
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"Ga",
"Rh"
],
"chemical_system": "Ga-Rh-Sc",
"density": 0.4967725876978393,
"density_atomic": 0.004557980891133017,
"volume": 877.5815641924917,
"volume_molar": 132.122992698704,
"formula_full": "Sc2 Ga1 Rh1",
"formula_reduced": "Sc2GaRh",
"formula_anonymous": "ABC2",
"energy": -15.71363834,
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"updated_at": "2021-11-28T01:37:26.870000Z",
"spacegroup": 71
},
{
"id": "mp-1097333",
"created_at": "2022-09-04T14:41:01.743389Z",
"structure_string": "Sc2 Ga1 Pd1\n1.0\n-5.037892 5.715714 7.720585\n5.037892 -5.715714 7.720585\n5.037892 5.715714 -7.720585\nSc Ga Pd\n2 1 1\ndirect\n0.000000 0.262255 0.262255 Sc\n0.000000 0.737745 0.737745 Sc\n0.000000 0.000000 0.000000 Ga\n0.000000 0.500000 0.500000 Pd\n",
"nsites": 4,
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"elements": [
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"Ga",
"Pd"
],
"chemical_system": "Ga-Pd-Sc",
"density": 0.49681041591978925,
"density_atomic": 0.00449811390262488,
"volume": 889.2616075519552,
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"formula_full": "Sc2 Ga1 Pd1",
"formula_reduced": "Sc2GaPd",
"formula_anonymous": "ABC2",
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"updated_at": "2021-11-28T01:35:12.388000Z",
"spacegroup": 71
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{
"id": "mp-1096254",
"created_at": "2022-09-04T14:43:10.906175Z",
"structure_string": "Mg1 Co2 Ge1\n1.0\n-4.906493 5.087306 7.183555\n4.906493 -5.087306 7.183555\n4.906493 5.087306 -7.183555\nMg Co Ge\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Mg\n0.000000 0.275070 0.275070 Co\n0.000000 0.724930 0.724930 Co\n0.000000 0.500000 0.500000 Ge\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Co-Ge-Mg",
"density": 0.4973337652237128,
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"volume": 717.230017320853,
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"formula_full": "Mg1 Co2 Ge1",
"formula_reduced": "MgCo2Ge",
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"updated_at": "2021-11-28T01:36:07.375000Z",
"spacegroup": 71
},
{
"id": "mp-1097110",
"created_at": "2022-09-04T14:44:49.590116Z",
"structure_string": "Y1 Sc1 Ag2\n1.0\n-5.593343 6.026628 8.655981\n5.593343 -6.026628 8.655981\n5.593343 6.026628 -8.655981\nY Sc Ag\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Y\n0.000000 0.000000 0.000000 Sc\n0.000000 0.244602 0.244602 Ag\n0.000000 0.755398 0.755398 Ag\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Ag-Sc-Y",
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"volume": 1167.1377688512632,
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"formula_full": "Y1 Sc1 Ag2",
"formula_reduced": "YScAg2",
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"updated_at": "2021-11-28T01:36:45.462000Z",
"spacegroup": 71
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{
"id": "mp-1093939",
"created_at": "2022-09-04T14:48:21.518001Z",
"structure_string": "Ba2 Sb1 Br1\n1.0\n-6.344486 6.664192 9.400845\n6.344486 -6.664192 9.400845\n6.344486 6.664192 -9.400845\nBa Sb Br\n2 1 1\ndirect\n0.000000 0.256175 0.256175 Ba\n0.000000 0.743825 0.743825 Ba\n0.000000 0.500000 0.500000 Sb\n0.000000 0.000000 0.000000 Br\n",
"nsites": 4,
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"volume": 1589.9037283339483,
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"updated_at": "2021-11-28T01:39:30.902000Z",
"spacegroup": 71
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{
"id": "mp-1096324",
"created_at": "2022-09-04T14:42:52.411171Z",
"structure_string": "Mg2 Cd1 Pb1\n1.0\n-5.631653 6.211150 8.780678\n5.631653 -6.211150 8.780678\n5.631653 6.211150 -8.780678\nMg Cd Pb\n2 1 1\ndirect\n0.000000 0.251134 0.251134 Mg\n0.000000 0.748866 0.748866 Mg\n0.000000 0.000000 0.000000 Cd\n0.000000 0.500000 0.500000 Pb\n",
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"volume": 1228.558801727596,
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"updated_at": "2021-11-28T01:35:51.869000Z",
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{
"id": "mp-1093981",
"created_at": "2022-09-04T14:45:25.636473Z",
"structure_string": "Zr2 Co1 Cu1\n1.0\n-4.876630 6.160056 8.458858\n4.876630 -6.160056 8.458858\n4.876630 6.160056 -8.458858\nZr Co Cu\n2 1 1\ndirect\n0.000000 0.225877 0.225877 Zr\n0.000000 0.774123 0.774123 Zr\n0.000000 0.000000 0.000000 Co\n0.000000 0.500000 0.500000 Cu\n",
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"volume": 1016.4269979270597,
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"formula_full": "Zr2 Co1 Cu1",
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"updated_at": "2021-11-28T01:37:00.942000Z",
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}
]
}