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{
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"results": [
{
"id": "mp-1093700",
"created_at": "2022-09-04T14:43:34.190270Z",
"structure_string": "Ca1 Y1 Pt2\n1.0\n-5.261134 6.045164 8.550689\n5.261134 -6.045164 8.550689\n5.261134 6.045164 -8.550689\nCa Y Pt\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.000000 0.500000 0.500000 Y\n0.000000 0.263083 0.263083 Pt\n0.000000 0.736917 0.736917 Pt\n",
"nsites": 4,
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{
"id": "mp-1096729",
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"nsites": 4,
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"elements": [
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"formula_full": "Ti2 Co1 Rh1",
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"updated_at": "2021-11-28T01:36:35.279000Z",
"spacegroup": 71
},
{
"id": "mp-1095931",
"created_at": "2022-09-04T14:39:09.624720Z",
"structure_string": "Be2 Cr1 Ir1\n1.0\n-4.524513 4.632696 6.548715\n4.524513 -4.632696 6.548715\n4.524513 4.632696 -6.548715\nBe Cr Ir\n2 1 1\ndirect\n0.000000 0.268664 0.268664 Be\n0.000000 0.731336 0.731336 Be\n0.000000 0.000000 0.000000 Cr\n0.000000 0.500000 0.500000 Ir\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Be-Cr-Ir",
"density": 0.7930893340372488,
"density_atomic": 0.007285146116997969,
"volume": 549.0624258952136,
"volume_molar": 82.66328036920113,
"formula_full": "Be2 Cr1 Ir1",
"formula_reduced": "Be2CrIr",
"formula_anonymous": "ABC2",
"energy": -14.51275361,
"energy_per_atom": -3.6281884025,
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"energy_uncorrected": -14.51275361,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:34:41.718000Z",
"spacegroup": 71
},
{
"id": "mp-1095713",
"created_at": "2022-09-04T14:41:06.764371Z",
"structure_string": "Cu1 Ag1 Pd2\n1.0\n-4.982115 5.331237 7.572205\n4.982115 -5.331237 7.572205\n4.982115 5.331237 -7.572205\nCu Ag Pd\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Cu\n0.000000 0.500000 0.500000 Ag\n0.000000 0.236275 0.236275 Pd\n0.000000 0.763725 0.763725 Pd\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"Ag",
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],
"chemical_system": "Ag-Cu-Pd",
"density": 0.7931286331713118,
"density_atomic": 0.0049720547193963195,
"volume": 804.496375390989,
"volume_molar": 121.1197603378584,
"formula_full": "Cu1 Ag1 Pd2",
"formula_reduced": "CuAgPd2",
"formula_anonymous": "ABC2",
"energy": -8.69819802,
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"energy_uncorrected": -8.69819802,
"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:16.371000Z",
"spacegroup": 71
},
{
"id": "mp-1094590",
"created_at": "2022-09-04T14:40:34.125025Z",
"structure_string": "Li5 Mg1\n1.0\n1.562293 -2.705971 0.000000\n1.562293 2.705971 0.000000\n0.000000 0.000000 14.599611\nLi Mg\n5 1\ndirect\n0.666667 0.333333 0.170634 Li\n0.000000 0.000000 0.335235 Li\n0.666667 0.333333 0.500000 Li\n0.000000 0.000000 0.664765 Li\n0.666667 0.333333 0.829366 Li\n0.000000 0.000000 0.000000 Mg\n",
"nsites": 6,
"nelements": 2,
"elements": [
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"chemical_system": "Li-Mg",
"density": 0.7938122695188502,
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"volume": 123.44028189367651,
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"formula_full": "Li5 Mg1",
"formula_reduced": "Li5Mg",
"formula_anonymous": "AB5",
"energy": -11.17234931,
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"energy_uncorrected": -11.17234931,
"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:02.857000Z",
"spacegroup": 187
},
{
"id": "mp-1096311",
"created_at": "2022-09-04T14:44:19.895093Z",
"structure_string": "Be2 V1 Pt1\n1.0\n-7.777642 0.000000 -4.490424\n-7.965584 0.210480 4.815949\n-5.346963 7.617058 0.280365\nBe V Pt\n2 1 1\ndirect\n0.729798 0.000000 0.000000 Be\n0.270202 0.000000 0.000000 Be\n0.000000 0.000000 0.000000 V\n0.500000 0.000000 0.000000 Pt\n",
"nsites": 4,
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"elements": [
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"V",
"Pt"
],
"chemical_system": "Be-Pt-V",
"density": 0.793960061412277,
"density_atomic": 0.00724308534284313,
"volume": 552.2508448630095,
"volume_molar": 83.14330806484917,
"formula_full": "Be2 V1 Pt1",
"formula_reduced": "Be2VPt",
"formula_anonymous": "ABC2",
"energy": -12.34129069,
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"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -12.34129069,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 4.5025923,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:36.413000Z",
"spacegroup": 71
},
{
"id": "mp-1095763",
"created_at": "2022-09-04T14:44:17.482987Z",
"structure_string": "Al2 Os1 Pd1\n1.0\n-4.756547 5.201982 7.401810\n4.756547 -5.201982 7.401810\n4.756547 5.201982 -7.401810\nAl Os Pd\n2 1 1\ndirect\n0.000000 0.250527 0.250527 Al\n0.000000 0.749473 0.749473 Al\n0.000000 0.500000 0.500000 Os\n0.000000 0.000000 0.000000 Pd\n",
"nsites": 4,
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"elements": [
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"Os",
"Pd"
],
"chemical_system": "Al-Os-Pd",
"density": 0.7947282411375268,
"density_atomic": 0.005460110471579794,
"volume": 732.5859102705417,
"volume_molar": 110.29338676104828,
"formula_full": "Al2 Os1 Pd1",
"formula_reduced": "Al2OsPd",
"formula_anonymous": "ABC2",
"energy": -14.7572729,
"energy_per_atom": -3.689318225,
"energy_above_hull": null,
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"energy_uncorrected": -14.7572729,
"band_gap": 0.5728,
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"total_magnetization": 2.0000187,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:40.828000Z",
"spacegroup": 71
},
{
"id": "mp-1095878",
"created_at": "2022-09-04T14:41:46.170955Z",
"structure_string": "Mn1 Zn2 Pt1\n1.0\n-5.020239 5.344589 7.410698\n5.020239 -5.344589 7.410698\n5.020239 5.344589 -7.410698\nMn Zn Pt\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Mn\n0.000000 0.261179 0.261179 Zn\n0.000000 0.738821 0.738821 Zn\n0.000000 0.500000 0.500000 Pt\n",
"nsites": 4,
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"elements": [
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"Zn",
"Pt"
],
"chemical_system": "Mn-Pt-Zn",
"density": 0.7951222232270558,
"density_atomic": 0.005029237879994704,
"volume": 795.3491354845622,
"volume_molar": 119.74261118080862,
"formula_full": "Mn1 Zn2 Pt1",
"formula_reduced": "MnZn2Pt",
"formula_anonymous": "ABC2",
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"energy_uncorrected": -11.09953894,
"band_gap": 0.068,
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"updated_at": "2021-11-28T01:35:23.054000Z",
"spacegroup": 71
},
{
"id": "mp-1095711",
"created_at": "2022-09-04T14:42:16.554513Z",
"structure_string": "Mg1 Sc1 Au2\n1.0\n-5.435997 5.688586 7.815606\n5.435997 -5.688586 7.815606\n5.435997 5.688586 -7.815606\nMg Sc Au\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Mg\n0.000000 0.500000 0.500000 Sc\n0.000000 0.259390 0.259390 Au\n0.000000 0.740610 0.740610 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"Sc",
"Au"
],
"chemical_system": "Au-Mg-Sc",
"density": 0.7956203522122575,
"density_atomic": 0.004137650519646163,
"volume": 966.7322024920718,
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"formula_full": "Mg1 Sc1 Au2",
"formula_reduced": "MgScAu2",
"formula_anonymous": "ABC2",
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"updated_at": "2021-11-28T01:35:40.856000Z",
"spacegroup": 71
},
{
"id": "mp-1096177",
"created_at": "2022-09-04T14:41:28.925576Z",
"structure_string": "Ti2 Cu1 Ir1\n1.0\n-4.772059 5.160123 7.444825\n4.772059 -5.160123 7.444825\n4.772059 5.160123 -7.444825\nTi Cu Ir\n2 1 1\ndirect\n0.000000 0.270537 0.270537 Ti\n0.000000 0.729463 0.729463 Ti\n0.000000 0.000000 0.000000 Cu\n0.000000 0.500000 0.500000 Ir\n",
"nsites": 4,
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"elements": [
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"density": 0.7959584120219254,
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"volume": 733.2977345010111,
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"formula_full": "Ti2 Cu1 Ir1",
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"updated_at": "2021-11-28T01:35:28.014000Z",
"spacegroup": 71
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{
"id": "mp-1096190",
"created_at": "2022-09-04T14:48:17.085397Z",
"structure_string": "Hf2 Be1 Zn1\n1.0\n-5.319350 5.448270 7.763594\n5.319350 -5.448270 7.763594\n5.319350 5.448270 -7.763594\nHf Be Zn\n2 1 1\ndirect\n0.000000 0.236716 0.236716 Hf\n0.000000 0.763284 0.763284 Hf\n0.000000 0.000000 0.000000 Be\n0.000000 0.500000 0.500000 Zn\n",
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"volume": 899.9947904827122,
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"formula_full": "Hf2 Be1 Zn1",
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"updated_at": "2021-11-28T01:38:37.096000Z",
"spacegroup": 71
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{
"id": "mp-1097123",
"created_at": "2022-09-04T14:42:15.610610Z",
"structure_string": "Mg1 Bi1 Rh2\n1.0\n-5.105540 5.523111 8.119825\n5.105540 -5.523111 8.119825\n5.105540 5.523111 -8.119825\nMg Bi Rh\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Mg\n0.000000 0.500000 0.500000 Bi\n0.000000 0.258257 0.258257 Rh\n0.000000 0.741743 0.741743 Rh\n",
"nsites": 4,
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"elements": [
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"density": 0.796116928373562,
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"volume": 915.8663761779569,
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"formula_full": "Mg1 Bi1 Rh2",
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"updated_at": "2021-11-28T01:35:42.615000Z",
"spacegroup": 71
}
]
}