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{
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"results": [
{
"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": [
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"chemical_system": "Cd-Hg-Tl",
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"volume": 1396.745270814225,
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"formula_full": "Tl2 Cd1 Hg1",
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"updated_at": "2021-11-28T01:35:43.220000Z",
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{
"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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],
"chemical_system": "In-La-Mg",
"density": 0.4959487776003232,
"density_atomic": 0.002865368407754199,
"volume": 1395.9810505257492,
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"updated_at": "2021-11-28T01:34:42.376000Z",
"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,
"nelements": 3,
"elements": [
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"Cu",
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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",
"formula_anonymous": "ABC2",
"energy": -8.89686258,
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"energy_uncorrected": -8.89686258,
"band_gap": 0.0,
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"is_magnetic": false,
"total_magnetization": 0.011433,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:29.186000Z",
"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_above_hull": null,
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"energy_uncorrected": -8.07945228,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 1.9998662,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:27.265000Z",
"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,
"nelements": 3,
"elements": [
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],
"chemical_system": "Cd-Na-Pb",
"density": 0.6563924227588157,
"density_atomic": 0.0028758690681307078,
"volume": 1390.8839050868087,
"volume_molar": 209.40246643128106,
"formula_full": "Na1 Cd1 Pb2",
"formula_reduced": "NaCdPb2",
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"energy": -5.32665961,
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"energy_uncorrected": -5.32665961,
"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:36:06.083000Z",
"spacegroup": 71
},
{
"id": "mp-1097626",
"created_at": "2022-09-04T14:44:59.028696Z",
"structure_string": "Y2 Mg1 Zn1\n1.0\n-6.102177 6.350623 8.965326\n6.102177 -6.350623 8.965326\n6.102177 6.350623 -8.965326\nY Mg Zn\n2 1 1\ndirect\n0.000000 0.264324 0.264324 Y\n0.000000 0.735676 0.735676 Y\n0.000000 0.000000 0.000000 Mg\n0.000000 0.500000 0.500000 Zn\n",
"nsites": 4,
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"elements": [
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"Mg",
"Zn"
],
"chemical_system": "Mg-Y-Zn",
"density": 0.31965933857929446,
"density_atomic": 0.0028782782855452916,
"volume": 1389.7196876646685,
"volume_molar": 209.22718940149676,
"formula_full": "Y2 Mg1 Zn1",
"formula_reduced": "Y2MgZn",
"formula_anonymous": "ABC2",
"energy": -6.80531463,
"energy_per_atom": -1.7013286575,
"energy_above_hull": null,
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"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -6.80531463,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 4.0001584,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:46.909000Z",
"spacegroup": 71
},
{
"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",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Pd",
"Pt"
],
"chemical_system": "Ba-Pd-Pt",
"density": 0.6913780888265338,
"density_atomic": 0.002890579438787286,
"volume": 1383.8055949357201,
"volume_molar": 208.33680192946125,
"formula_full": "Ba2 Pd1 Pt1",
"formula_reduced": "Ba2PdPt",
"formula_anonymous": "ABC2",
"energy": -12.40566965,
"energy_per_atom": -3.1014174125,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -12.40566965,
"band_gap": 1.0328000000000002,
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"is_magnetic": false,
"total_magnetization": 0.0003319,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:03.307000Z",
"spacegroup": 71
},
{
"id": "mp-1095813",
"created_at": "2022-09-04T14:41:45.555962Z",
"structure_string": "Ca2 Ga1 Hg1\n1.0\n-6.134766 6.323271 8.915663\n6.134766 -6.323271 8.915663\n6.134766 6.323271 -8.915663\nCa Ga Hg\n2 1 1\ndirect\n0.000000 0.233437 0.233437 Ca\n0.000000 0.766563 0.766563 Ca\n0.000000 0.000000 0.000000 Ga\n0.000000 0.500000 0.500000 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ca",
"Ga",
"Hg"
],
"chemical_system": "Ca-Ga-Hg",
"density": 0.42067361559243605,
"density_atomic": 0.0028913892275679205,
"volume": 1383.4180337472526,
"volume_molar": 208.27845322870965,
"formula_full": "Ca2 Ga1 Hg1",
"formula_reduced": "Ca2GaHg",
"formula_anonymous": "ABC2",
"energy": -3.12074854,
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"energy_above_hull": null,
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"energy_uncorrected": -3.12074854,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 1.8464312,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:25.736000Z",
"spacegroup": 71
},
{
"id": "mp-1096092",
"created_at": "2022-09-04T14:40:06.148279Z",
"structure_string": "Li1 Y2 Hg1\n1.0\n-6.140635 6.307838 8.926279\n6.140635 -6.307838 8.926279\n6.140635 6.307838 -8.926279\nLi Y Hg\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.257492 0.257492 Y\n0.000000 0.742508 0.742508 Y\n0.000000 0.500000 0.500000 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"Y",
"Hg"
],
"chemical_system": "Hg-Li-Y",
"density": 0.4626706712648712,
"density_atomic": 0.002892249323880915,
"volume": 1383.006633270699,
"volume_molar": 208.21651543924622,
"formula_full": "Li1 Y2 Hg1",
"formula_reduced": "LiY2Hg",
"formula_anonymous": "ABC2",
"energy": -7.20160102,
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"energy_uncorrected": -7.20160102,
"band_gap": 0.0,
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"updated_at": "2021-11-28T01:34:46.983000Z",
"spacegroup": 71
},
{
"id": "mp-1096325",
"created_at": "2022-09-04T14:47:07.641958Z",
"structure_string": "Y1 Tl1 Hg2\n1.0\n-6.185151 6.286854 8.887899\n6.185151 -6.286854 8.887899\n6.185151 6.286854 -8.887899\nY Tl Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Y\n0.000000 0.500000 0.500000 Tl\n0.000000 0.250028 0.250028 Hg\n0.000000 0.749972 0.749972 Hg\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Hg-Tl-Y",
"density": 0.8341790374285307,
"density_atomic": 0.0028934581668153,
"volume": 1382.4288340766375,
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"formula_full": "Y1 Tl1 Hg2",
"formula_reduced": "YTlHg2",
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"energy_uncorrected": -4.52189705,
"band_gap": 0.0817000000000001,
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"updated_at": "2021-11-28T01:37:58.703000Z",
"spacegroup": 71
},
{
"id": "mp-1097374",
"created_at": "2022-09-04T14:39:27.521561Z",
"structure_string": "La2 In1 Ga1\n1.0\n-5.808876 6.479900 9.180947\n5.808876 -6.479900 9.180947\n5.808876 6.479900 -9.180947\nLa In Ga\n2 1 1\ndirect\n0.000000 0.238372 0.238372 La\n0.000000 0.761628 0.761628 La\n0.000000 0.500000 0.500000 In\n0.000000 0.000000 0.000000 Ga\n",
"nsites": 4,
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"volume": 1382.3177388169518,
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"formula_full": "La2 In1 Ga1",
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"energy_above_hull": null,
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"updated_at": "2021-11-28T01:34:36.634000Z",
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},
{
"id": "mp-1207296",
"created_at": "2022-09-04T14:42:26.685958Z",
"structure_string": "Li1 Ho3 S6\n1.0\n4.834722 -8.708393 0.000000\n4.834722 8.708393 0.000000\n0.000000 0.000000 41.039231\nLi Ho S\n1 3 6\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.000000 0.500000 Ho\n0.500000 0.000000 0.000000 Ho\n0.000000 0.500000 0.000000 Ho\n0.000000 0.000000 0.231064 S\n0.000000 0.000000 0.768936 S\n0.244895 0.994835 0.000000 S\n0.755105 0.005165 0.000000 S\n0.994835 0.244895 0.000000 S\n0.005165 0.755105 0.000000 S\n",
"nsites": 10,
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"elements": [
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"S"
],
"chemical_system": "Ho-Li-S",
"density": 0.33353863340883616,
"density_atomic": 0.00289375169743972,
"volume": 3455.7215150310285,
"volume_molar": 208.10841390877314,
"formula_full": "Li1 Ho3 S6",
"formula_reduced": "Li(HoS2)3",
"formula_anonymous": "AB3C6",
"energy": -34.43289041,
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"energy_above_hull": null,
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"energy_uncorrected": -31.41489041,
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"updated_at": "2021-11-28T01:35:44.172000Z",
"spacegroup": 65
}
]
}