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{
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"results": [
{
"id": "mp-1093569",
"created_at": "2022-09-04T14:46:34.559847Z",
"structure_string": "Li2 Zn1 Pd1\n1.0\n-4.905398 5.108005 6.847493\n4.905398 -5.108005 6.847493\n4.905398 5.108005 -6.847493\nLi Zn Pd\n2 1 1\ndirect\n0.726792 0.000000 0.726792 Li\n0.273208 0.000000 0.273208 Li\n0.000000 0.000000 0.000000 Zn\n0.500000 0.000000 0.500000 Pd\n",
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{
"id": "mp-1094668",
"created_at": "2022-09-04T14:39:19.508594Z",
"structure_string": "Mg1 Sb1\n1.0\n3.431622 0.000000 0.000000\n0.000000 3.431622 0.000000\n0.000000 0.000000 4.172849\nMg Sb\n1 1\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Sb\n",
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"elements": [
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"is_theoretical": true,
"updated_at": "2021-11-28T01:34:42.695000Z",
"spacegroup": 123
},
{
"id": "mp-1094188",
"created_at": "2022-09-04T14:39:33.225447Z",
"structure_string": "Mg1 Sb1\n1.0\n0.000000 2.975876 2.975876\n2.975876 0.000000 2.975876\n2.975876 2.975876 0.000000\nMg Sb\n1 1\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Sb\n",
"nsites": 2,
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"elements": [
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"density_atomic": 0.03794508301684345,
"volume": 52.70775133400603,
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"formula_full": "Mg1 Sb1",
"formula_reduced": "MgSb",
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"total_magnetization": 0.0045256,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:38.711000Z",
"spacegroup": 225
},
{
"id": "mp-1097470",
"created_at": "2022-09-04T14:42:05.424395Z",
"structure_string": "Li1 La1 Tl2\n1.0\n-5.946364 6.769157 9.519408\n5.946364 -6.769157 9.519408\n5.946364 6.769157 -9.519408\nLi La Tl\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.500000 La\n0.000000 0.233983 0.233983 Tl\n0.000000 0.766017 0.766017 Tl\n",
"nsites": 4,
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"elements": [
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"La",
"Tl"
],
"chemical_system": "La-Li-Tl",
"density": 0.6008736889529516,
"density_atomic": 0.0026097804980366756,
"volume": 1532.6959501035353,
"volume_molar": 230.75276884513565,
"formula_full": "Li1 La1 Tl2",
"formula_reduced": "LiLaTl2",
"formula_anonymous": "ABC2",
"energy": -6.00063972,
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"energy_uncorrected": -6.00063972,
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"is_magnetic": true,
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"updated_at": "2021-11-28T01:35:35.110000Z",
"spacegroup": 71
},
{
"id": "mp-1183948",
"created_at": "2022-09-04T14:48:12.075617Z",
"structure_string": "Cs1 Ba3\n1.0\n0.000000 5.221284 5.221284\n5.221284 0.000000 5.221284\n5.221284 5.221284 0.000000\nCs Ba\n1 3\ndirect\n0.000000 0.000000 0.000000 Cs\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Ba\n0.500000 0.500000 0.500000 Ba\n",
"nsites": 4,
"nelements": 2,
"elements": [
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"Ba"
],
"chemical_system": "Ba-Cs",
"density": 3.1782873732697547,
"density_atomic": 0.014050702767473623,
"volume": 284.68326931373963,
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"formula_full": "Cs1 Ba3",
"formula_reduced": "CsBa3",
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"updated_at": "2021-11-28T01:38:47.685000Z",
"spacegroup": 225
},
{
"id": "mp-1187138",
"created_at": "2022-09-04T14:41:04.500874Z",
"structure_string": "Sr3 Zn1\n1.0\n5.479942 0.000000 0.000000\n0.000000 5.479942 0.000000\n0.000000 0.000000 5.479942\nSr Zn\n3 1\ndirect\n0.500000 0.000000 0.500000 Sr\n0.500000 0.500000 0.000000 Sr\n0.000000 0.500000 0.500000 Sr\n0.000000 0.000000 0.000000 Zn\n",
"nsites": 4,
"nelements": 2,
"elements": [
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"Zn"
],
"chemical_system": "Sr-Zn",
"density": 3.3124633658993146,
"density_atomic": 0.02430704167458115,
"volume": 164.56136676570398,
"volume_molar": 24.775292858026383,
"formula_full": "Sr3 Zn1",
"formula_reduced": "Sr3Zn",
"formula_anonymous": "AB3",
"energy": -6.00165737,
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"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:02.026000Z",
"spacegroup": 221
},
{
"id": "mp-1021516",
"created_at": "2022-09-04T14:41:13.430255Z",
"structure_string": "K2 Sn1\n1.0\n0.000000 4.322994 4.322994\n4.322994 0.000000 4.322994\n4.322994 4.322994 0.000000\nK Sn\n2 1\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.750000 K\n0.000000 0.000000 0.000000 Sn\n",
"nsites": 3,
"nelements": 2,
"elements": [
"K",
"Sn"
],
"chemical_system": "K-Sn",
"density": 2.0236037556638427,
"density_atomic": 0.0185668128898935,
"volume": 161.5786197550897,
"volume_molar": 32.43497306572223,
"formula_full": "K2 Sn1",
"formula_reduced": "K2Sn",
"formula_anonymous": "AB2",
"energy": -6.00224575,
"energy_per_atom": -2.0007485833333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.00224575,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 1.9955388,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:15.752000Z",
"spacegroup": 225
},
{
"id": "mp-1095725",
"created_at": "2022-09-04T14:41:07.364724Z",
"structure_string": "In1 Hg1 Pb2\n1.0\n-5.736310 6.043410 8.564927\n5.736310 -6.043410 8.564927\n5.736310 6.043410 -8.564927\nIn Hg Pb\n1 1 2\ndirect\n0.000000 0.000000 0.000000 In\n0.000000 0.500000 0.500000 Hg\n0.000000 0.244667 0.244667 Pb\n0.000000 0.755333 0.755333 Pb\n",
"nsites": 4,
"nelements": 3,
"elements": [
"In",
"Hg",
"Pb"
],
"chemical_system": "Hg-In-Pb",
"density": 1.0203740094064706,
"density_atomic": 0.003367919186753148,
"volume": 1187.6769536908666,
"volume_molar": 178.80894481336003,
"formula_full": "In1 Hg1 Pb2",
"formula_reduced": "InHgPb2",
"formula_anonymous": "ABC2",
"energy": -6.00226267,
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"energy_above_hull": null,
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"updated_at": "2021-11-28T01:35:13.369000Z",
"spacegroup": 71
},
{
"id": "mp-1096628",
"created_at": "2022-09-04T14:42:58.223099Z",
"structure_string": "La2 Cd1 In1\n1.0\n-6.118341 6.359202 9.050682\n6.118341 -6.359202 9.050682\n6.118341 6.359202 -9.050682\nLa Cd In\n2 1 1\ndirect\n0.000000 0.256760 0.256760 La\n0.000000 0.743240 0.743240 La\n0.000000 0.000000 0.000000 Cd\n0.000000 0.500000 0.500000 In\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"Cd",
"In"
],
"chemical_system": "Cd-In-La",
"density": 0.5953840911189814,
"density_atomic": 0.002839764953419121,
"volume": 1408.56728131106,
"volume_molar": 212.06476094964304,
"formula_full": "La2 Cd1 In1",
"formula_reduced": "La2CdIn",
"formula_anonymous": "ABC2",
"energy": -6.00695945,
"energy_per_atom": -1.5017398625,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:35:59.310000Z",
"spacegroup": 71
},
{
"id": "mp-1063156",
"created_at": "2022-09-04T14:40:01.995610Z",
"structure_string": "Er1 Cd2\n1.0\n2.727049 -4.723387 0.000000\n2.727049 4.723387 0.000000\n0.000000 0.000000 3.214480\nEr Cd\n1 2\ndirect\n0.000000 0.000000 0.000000 Er\n0.666667 0.333333 0.957007 Cd\n0.333333 0.666667 0.042993 Cd\n",
"nsites": 3,
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"elements": [
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"density": 7.862084361013187,
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"volume": 82.81084097750532,
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"formula_full": "Er1 Cd2",
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"updated_at": "2021-11-28T01:34:52.495000Z",
"spacegroup": 164
},
{
"id": "mp-10647",
"created_at": "2022-09-04T14:45:25.663130Z",
"structure_string": "Tl1 Se1\n1.0\n3.752654 0.000000 0.000000\n0.000000 3.752654 0.000000\n0.000000 0.000000 3.752654\nTl Se\n1 1\ndirect\n0.500000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Se\n",
"nsites": 2,
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"elements": [
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"density": 8.903207065469894,
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"volume": 52.84641988549903,
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"formula_full": "Tl1 Se1",
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"updated_at": "2021-11-28T01:37:00.607000Z",
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{
"id": "mp-1186152",
"created_at": "2022-09-04T14:42:02.185369Z",
"structure_string": "Na2 Hg6\n1.0\n3.336647 -5.779242 0.000000\n3.336647 5.779242 0.000000\n0.000000 0.000000 5.508011\nNa Hg\n2 6\ndirect\n0.666667 0.333333 0.250000 Na\n0.333333 0.666667 0.750000 Na\n0.832808 0.167192 0.750000 Hg\n0.334384 0.167192 0.750000 Hg\n0.832808 0.665616 0.750000 Hg\n0.167192 0.832808 0.250000 Hg\n0.665616 0.832808 0.250000 Hg\n0.167192 0.334384 0.250000 Hg\n",
"nsites": 8,
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"elements": [
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"density": 9.767562772067706,
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"volume": 212.42515217740976,
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"formula_full": "Na2 Hg6",
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"updated_at": "2021-11-28T01:35:28.572000Z",
"spacegroup": 194
}
]
}