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{
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"results": [
{
"id": "mp-1093973",
"created_at": "2022-09-04T14:43:08.532219Z",
"structure_string": "Ba2 Pd1 Pt1\n1.0\n-5.709629 6.545815 9.256429\n5.709629 -6.545815 9.256429\n5.709629 6.545815 -9.256429\nBa Pd Pt\n2 1 1\ndirect\n0.000000 0.250997 0.250997 Ba\n0.000000 0.749003 0.749003 Ba\n0.000000 0.000000 0.000000 Pd\n0.000000 0.500000 0.500000 Pt\n",
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"elements": [
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"density": 0.6913780888265338,
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"volume": 1383.8055949357201,
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{
"id": "mp-1097626",
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"nsites": 4,
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"elements": [
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"chemical_system": "Mg-Y-Zn",
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"formula_full": "Y2 Mg1 Zn1",
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"updated_at": "2021-11-28T01:36:46.909000Z",
"spacegroup": 71
},
{
"id": "mp-1097275",
"created_at": "2022-09-04T14:43:13.411192Z",
"structure_string": "Na1 Cd1 Pb2\n1.0\n-5.937510 6.361728 9.205586\n5.937510 -6.361728 9.205586\n5.937510 6.361728 -9.205586\nNa Cd Pb\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Na\n0.000000 0.500000 0.500000 Cd\n0.000000 0.261256 0.261256 Pb\n0.000000 0.738744 0.738744 Pb\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Cd-Na-Pb",
"density": 0.6563924227588157,
"density_atomic": 0.0028758690681307078,
"volume": 1390.8839050868087,
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"formula_full": "Na1 Cd1 Pb2",
"formula_reduced": "NaCdPb2",
"formula_anonymous": "ABC2",
"energy": -5.32665961,
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"energy_uncorrected": -5.32665961,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 3.0030648,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:06.083000Z",
"spacegroup": 71
},
{
"id": "mp-1096355",
"created_at": "2022-09-04T14:43:33.870156Z",
"structure_string": "La2 Sn1 Hg1\n1.0\n-6.043030 6.389413 9.014085\n6.043030 -6.389413 9.014085\n6.043030 6.389413 -9.014085\nLa Sn Hg\n2 1 1\ndirect\n0.000000 0.244634 0.244634 La\n0.000000 0.755366 0.755366 La\n0.000000 0.000000 0.000000 Sn\n0.000000 0.500000 0.500000 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"Sn",
"Hg"
],
"chemical_system": "Hg-La-Sn",
"density": 0.7122078792453508,
"density_atomic": 0.002873178709925346,
"volume": 1392.186286979668,
"volume_molar": 209.5985446083329,
"formula_full": "La2 Sn1 Hg1",
"formula_reduced": "La2SnHg",
"formula_anonymous": "ABC2",
"energy": -8.07945228,
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"energy_uncorrected": -8.07945228,
"band_gap": 0.0,
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"total_magnetization": 1.9998662,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:27.265000Z",
"spacegroup": 71
},
{
"id": "mp-1097397",
"created_at": "2022-09-04T14:48:18.956392Z",
"structure_string": "Ba2 Cu1 Pd1\n1.0\n-6.023690 6.387618 9.052729\n6.023690 -6.387618 9.052729\n6.023690 6.387618 -9.052729\nBa Cu Pd\n2 1 1\ndirect\n0.000000 0.262964 0.262964 Ba\n0.000000 0.737036 0.737036 Ba\n0.000000 0.000000 0.000000 Cu\n0.000000 0.500000 0.500000 Pd\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Ba-Cu-Pd",
"density": 0.5299037968518848,
"density_atomic": 0.0028709057217428734,
"volume": 1393.2885255360022,
"volume_molar": 209.7644905017665,
"formula_full": "Ba2 Cu1 Pd1",
"formula_reduced": "Ba2CuPd",
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"energy": -8.89686258,
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"energy_uncorrected": -8.89686258,
"band_gap": 0.0,
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"total_magnetization": 0.011433,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:29.186000Z",
"spacegroup": 71
},
{
"id": "mp-1093987",
"created_at": "2022-09-04T14:39:48.744305Z",
"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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"Mg",
"In"
],
"chemical_system": "In-La-Mg",
"density": 0.4959487776003232,
"density_atomic": 0.002865368407754199,
"volume": 1395.9810505257492,
"volume_molar": 210.16985961396833,
"formula_full": "La2 Mg1 In1",
"formula_reduced": "La2MgIn",
"formula_anonymous": "ABC2",
"energy": -5.92850234,
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"energy_uncorrected": -5.92850234,
"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:34:42.376000Z",
"spacegroup": 71
},
{
"id": "mp-1096332",
"created_at": "2022-09-04T14:42:26.549781Z",
"structure_string": "Tl2 Cd1 Hg1\n1.0\n-6.215821 6.300811 8.915840\n6.215821 -6.300811 8.915840\n6.215821 6.300811 -8.915840\nTl Cd Hg\n2 1 1\ndirect\n0.000000 0.248780 0.248780 Tl\n0.000000 0.751220 0.751220 Tl\n0.000000 0.000000 0.000000 Cd\n0.000000 0.500000 0.500000 Hg\n",
"nsites": 4,
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"elements": [
"Tl",
"Cd",
"Hg"
],
"chemical_system": "Cd-Hg-Tl",
"density": 0.8580829460102267,
"density_atomic": 0.002863800639660102,
"volume": 1396.745270814225,
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"formula_full": "Tl2 Cd1 Hg1",
"formula_reduced": "Tl2CdHg",
"formula_anonymous": "ABC2",
"energy": -2.86817996,
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"energy_uncorrected": -2.86817996,
"band_gap": 0.0,
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"total_magnetization": 0.7621786,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:43.220000Z",
"spacegroup": 71
},
{
"id": "mp-1095862",
"created_at": "2022-09-04T14:40:22.790547Z",
"structure_string": "La2 Cd1 Ir1\n1.0\n-5.733746 6.569143 9.277575\n5.733746 -6.569143 9.277575\n5.733746 6.569143 -9.277575\nLa Cd Ir\n2 1 1\ndirect\n0.000000 0.288095 0.288095 La\n0.000000 0.711905 0.711905 La\n0.000000 0.000000 0.000000 Cd\n0.000000 0.500000 0.500000 Ir\n",
"nsites": 4,
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"elements": [
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"Cd",
"Ir"
],
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"density": 0.691923162396687,
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"volume": 1397.7890412412708,
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"formula_full": "La2 Cd1 Ir1",
"formula_reduced": "La2CdIr",
"formula_anonymous": "ABC2",
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"updated_at": "2021-11-28T01:34:46.127000Z",
"spacegroup": 71
},
{
"id": "mp-1095981",
"created_at": "2022-09-04T14:42:22.932092Z",
"structure_string": "Na1 Mg1 Cd2\n1.0\n-6.170359 6.331766 8.953741\n6.170359 -6.331766 8.953741\n6.170359 6.331766 -8.953741\nNa Mg Cd\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Na\n0.000000 0.500000 0.500000 Mg\n0.000000 0.250342 0.250342 Cd\n0.000000 0.749658 0.749658 Cd\n",
"nsites": 4,
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"elements": [
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"Mg",
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],
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"volume": 1399.2644743451497,
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"formula_full": "Na1 Mg1 Cd2",
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"updated_at": "2021-11-28T01:35:49.610000Z",
"spacegroup": 71
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{
"id": "mp-1095872",
"created_at": "2022-09-04T14:41:58.259287Z",
"structure_string": "Y2 Be1 Pb1\n1.0\n-5.683609 6.572650 9.364731\n5.683609 -6.572650 9.364731\n5.683609 6.572650 -9.364731\nY Be Pb\n2 1 1\ndirect\n0.000000 0.246859 0.246859 Y\n0.000000 0.753141 0.753141 Y\n0.000000 0.000000 0.000000 Be\n0.000000 0.500000 0.500000 Pb\n",
"nsites": 4,
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"elements": [
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"volume": 1399.3295256546025,
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"formula_full": "Y2 Be1 Pb1",
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"updated_at": "2021-11-28T01:35:31.635000Z",
"spacegroup": 71
},
{
"id": "mp-689577",
"created_at": "2022-09-04T14:48:16.503225Z",
"structure_string": "Na1\n1.0\n7.046241 0.000000 0.000000\n0.000000 7.046241 0.000000\n0.000000 0.000000 7.046241\nNa\n1\ndirect\n0.500000 0.500000 0.500000 Na\n",
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"elements": [
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"formula_full": "Na1",
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"updated_at": "2021-11-28T01:38:48.306000Z",
"spacegroup": 221
},
{
"id": "mp-1096533",
"created_at": "2022-09-04T14:47:24.200500Z",
"structure_string": "Mg2 Tl1 Hg1\n1.0\n-6.209700 6.420731 8.777173\n6.209700 -6.420731 8.777173\n6.209700 6.420731 -8.777173\nMg Tl Hg\n2 1 1\ndirect\n0.755237 0.000000 0.755237 Mg\n0.244763 0.000000 0.244763 Mg\n0.500000 0.000000 0.500000 Tl\n0.000000 0.000000 0.000000 Hg\n",
"nsites": 4,
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],
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"density": 0.5380670646177989,
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"volume": 1399.8121036126927,
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"formula_full": "Mg2 Tl1 Hg1",
"formula_reduced": "Mg2TlHg",
"formula_anonymous": "ABC2",
"energy": -1.75022188,
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"updated_at": "2021-11-28T01:38:07.578000Z",
"spacegroup": 71
}
]
}