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{
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"results": [
{
"id": "mp-1097516",
"created_at": "2022-09-04T14:39:46.189037Z",
"structure_string": "Ba1 Sr1 Hg2\n1.0\n-6.600972 7.290481 8.813920\n6.600972 -7.290481 8.813920\n6.600972 7.290481 -8.813920\nBa Sr Hg\n1 1 2\ndirect\n0.500000 0.000000 0.500000 Ba\n0.000000 0.000000 0.000000 Sr\n0.754763 0.000000 0.754763 Hg\n0.245237 0.000000 0.245237 Hg\n",
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"volume": 1696.6535442026848,
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{
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"updated_at": "2021-11-28T01:38:07.503000Z",
"spacegroup": 71
},
{
"id": "mp-1093728",
"created_at": "2022-09-04T14:41:27.844733Z",
"structure_string": "Ba2 Li1 In1\n1.0\n-6.562014 7.117695 9.055668\n6.562014 -7.117695 9.055668\n6.562014 7.117695 -9.055668\nBa Li In\n2 1 1\ndirect\n0.735056 0.000000 0.735056 Ba\n0.264944 0.000000 0.264944 Ba\n0.000000 0.000000 0.000000 Li\n0.500000 0.000000 0.500000 In\n",
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],
"chemical_system": "Ba-In-Li",
"density": 0.3890809572953111,
"density_atomic": 0.002364302172408713,
"volume": 1691.8311232294238,
"volume_molar": 254.71112915591237,
"formula_full": "Ba2 Li1 In1",
"formula_reduced": "Ba2LiIn",
"formula_anonymous": "ABC2",
"energy": -3.77665559,
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"energy_uncorrected": -3.77665559,
"band_gap": 0.0233999999999998,
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"is_magnetic": true,
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"updated_at": "2021-11-28T01:35:19.123000Z",
"spacegroup": 71
},
{
"id": "mp-1206117",
"created_at": "2022-09-04T14:46:18.434880Z",
"structure_string": "K1 Yb3 O6\n1.0\n5.048430 -7.790620 0.000000\n5.048430 7.790620 0.000000\n0.000000 0.000000 53.752585\nK Yb O\n1 3 6\ndirect\n0.000000 0.000000 0.000000 K\n0.000000 0.000000 0.500000 Yb\n0.500000 0.000000 0.000000 Yb\n0.000000 0.500000 0.000000 Yb\n0.000000 0.000000 0.230975 O\n0.000000 0.000000 0.769025 O\n0.283322 0.997794 0.000000 O\n0.716678 0.002206 0.000000 O\n0.997794 0.283322 0.000000 O\n0.002206 0.716678 0.000000 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
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"Yb",
"O"
],
"chemical_system": "K-O-Yb",
"density": 0.2569281473131918,
"density_atomic": 0.002365060688579385,
"volume": 4228.2213087760865,
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"formula_full": "K1 Yb3 O6",
"formula_reduced": "KYb3O6",
"formula_anonymous": "AB3C6",
"energy": -36.515322,
"energy_per_atom": -3.6515321999999997,
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"updated_at": "2021-11-28T01:37:27.159000Z",
"spacegroup": 65
},
{
"id": "mp-1208947",
"created_at": "2022-09-04T14:41:04.926320Z",
"structure_string": "Sr2 H1 I2\n1.0\n8.366755 0.000000 0.000000\n0.000000 8.366755 0.000000\n0.000000 0.000000 30.185052\nSr H I\n2 1 2\ndirect\n0.500000 0.500000 0.201428 Sr\n0.500000 0.500000 0.798572 Sr\n0.500000 0.500000 0.000000 H\n0.500000 0.500000 0.701467 I\n0.500000 0.500000 0.298533 I\n",
"nsites": 5,
"nelements": 3,
"elements": [
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"H",
"I"
],
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"density": 0.3379628510264,
"density_atomic": 0.0023662682262346716,
"volume": 2113.0317960429443,
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"formula_full": "Sr2 H1 I2",
"formula_reduced": "Sr2HI2",
"formula_anonymous": "AB2C2",
"energy": -8.78200614,
"energy_per_atom": -1.756401228,
"energy_above_hull": null,
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"energy_uncorrected": -8.02400614,
"band_gap": 0.6430000000000002,
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"updated_at": "2021-11-28T01:35:12.767000Z",
"spacegroup": 123
},
{
"id": "mp-1097365",
"created_at": "2022-09-04T14:41:20.218240Z",
"structure_string": "Ba2 Zn1 Ag1\n1.0\n-6.564502 6.818154 9.432126\n6.564502 -6.818154 9.432126\n6.564502 6.818154 -9.432126\nBa Zn Ag\n2 1 1\ndirect\n0.742007 0.000000 0.742007 Ba\n0.257993 0.000000 0.257993 Ba\n0.000000 0.000000 0.000000 Zn\n0.500000 0.000000 0.500000 Ag\n",
"nsites": 4,
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"elements": [
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"Zn",
"Ag"
],
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"density": 0.440475984388458,
"density_atomic": 0.0023687641140456763,
"volume": 1688.6442918827793,
"volume_molar": 254.2313404822156,
"formula_full": "Ba2 Zn1 Ag1",
"formula_reduced": "Ba2ZnAg",
"formula_anonymous": "ABC2",
"energy": -3.26761951,
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"is_stable": null,
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"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:16.983000Z",
"spacegroup": 71
},
{
"id": "mp-1207348",
"created_at": "2022-09-04T14:43:42.978695Z",
"structure_string": "Ni1 Cl6\n1.0\n5.036866 -6.471699 0.000000\n5.036866 6.471699 0.000000\n0.000000 0.000000 45.248164\nNi Cl\n1 6\ndirect\n0.000000 0.000000 0.000000 Ni\n0.000000 0.000000 0.249972 Cl\n0.000000 0.000000 0.750028 Cl\n0.263735 0.030901 0.000000 Cl\n0.736265 0.969099 0.000000 Cl\n0.030901 0.263735 0.000000 Cl\n0.969099 0.736265 0.000000 Cl\n",
"nsites": 7,
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"elements": [
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"Cl"
],
"chemical_system": "Cl-Ni",
"density": 0.1527803561560966,
"density_atomic": 0.0023729488419315867,
"volume": 2949.9161028275607,
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"formula_full": "Ni1 Cl6",
"formula_reduced": "NiCl6",
"formula_anonymous": "AB6",
"energy": -18.12579201,
"energy_per_atom": -2.5893988585714287,
"energy_above_hull": null,
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"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:36:13.517000Z",
"spacegroup": 65
},
{
"id": "mp-1095988",
"created_at": "2022-09-04T14:48:31.422714Z",
"structure_string": "Sr2 Ag1 Hg1\n1.0\n-6.638186 6.764533 9.372280\n6.638186 -6.764533 9.372280\n6.638186 6.764533 -9.372280\nSr Ag Hg\n2 1 1\ndirect\n0.765198 0.000000 0.765198 Sr\n0.234802 0.000000 0.234802 Sr\n0.000000 0.000000 0.000000 Ag\n0.500000 0.000000 0.500000 Hg\n",
"nsites": 4,
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"Hg"
],
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"density": 0.47712380556366263,
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"volume": 1683.4200016392374,
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"formula_full": "Sr2 Ag1 Hg1",
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"formula_anonymous": "ABC2",
"energy": -3.15474278,
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"updated_at": "2021-11-28T01:39:53.825000Z",
"spacegroup": 71
},
{
"id": "mp-1097642",
"created_at": "2022-09-04T14:48:04.059873Z",
"structure_string": "Ba2 Ag1 Au1\n1.0\n-6.505122 6.763176 9.565185\n6.505122 -6.763176 9.565185\n6.505122 6.763176 -9.565185\nBa Ag Au\n2 1 1\ndirect\n0.000000 0.255510 0.255510 Ba\n0.000000 0.744490 0.744490 Ba\n0.000000 0.000000 0.000000 Ag\n0.000000 0.500000 0.500000 Au\n",
"nsites": 4,
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"elements": [
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"Au"
],
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"density": 0.5716558078101134,
"density_atomic": 0.00237629574635894,
"volume": 1683.2921601315693,
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"formula_full": "Ba2 Ag1 Au1",
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"updated_at": "2021-11-28T01:38:26.154000Z",
"spacegroup": 71
},
{
"id": "mp-1095830",
"created_at": "2022-09-04T14:43:11.524180Z",
"structure_string": "Sr2 Li1 Sn1\n1.0\n-6.598649 6.860735 9.294015\n6.598649 -6.860735 9.294015\n6.598649 6.860735 -9.294015\nSr Li Sn\n2 1 1\ndirect\n0.738187 0.000000 0.738187 Sr\n0.261813 0.000000 0.261813 Sr\n0.000000 0.000000 0.000000 Li\n0.500000 0.000000 0.500000 Sn\n",
"nsites": 4,
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"density": 0.296872016418202,
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"volume": 1683.0190541923585,
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"formula_full": "Sr2 Li1 Sn1",
"formula_reduced": "Sr2LiSn",
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"updated_at": "2021-11-28T01:36:03.068000Z",
"spacegroup": 71
},
{
"id": "mp-1097468",
"created_at": "2022-09-04T14:47:58.290428Z",
"structure_string": "Ca1 Sc1 In2\n1.0\n-5.975027 7.097012 9.908508\n5.975027 -7.097012 9.908508\n5.975027 7.097012 -9.908508\nCa Sc In\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.000000 0.500000 0.500000 Sc\n0.000000 0.261918 0.261918 In\n0.000000 0.738082 0.738082 In\n",
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"volume": 1680.6747189029134,
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"formula_full": "Ca1 Sc1 In2",
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"energy": -7.36867419,
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"updated_at": "2021-11-28T01:38:24.594000Z",
"spacegroup": 71
},
{
"id": "mp-1096016",
"created_at": "2022-09-04T14:47:29.225229Z",
"structure_string": "Ca2 In1 Pb1\n1.0\n-6.355400 6.882793 9.602306\n6.355400 -6.882793 9.602306\n6.355400 6.882793 -9.602306\nCa In Pb\n2 1 1\ndirect\n0.000000 0.251857 0.251857 Ca\n0.000000 0.748143 0.748143 Ca\n0.000000 0.000000 0.000000 In\n0.000000 0.500000 0.500000 Pb\n",
"nsites": 4,
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"volume": 1680.1309456103595,
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"updated_at": "2021-11-28T01:38:14.780000Z",
"spacegroup": 71
}
]
}