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{
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"results": [
{
"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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"elements": [
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],
"chemical_system": "Ag-Hg-Sr",
"density": 0.47712380556366263,
"density_atomic": 0.0023761152868000753,
"volume": 1683.4200016392374,
"volume_molar": 253.44480520177294,
"formula_full": "Sr2 Ag1 Hg1",
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{
"id": "mp-1096371",
"created_at": "2022-09-04T14:45:34.052677Z",
"structure_string": "Mg2 Ag1 Hg1\n1.0\n-5.564453 5.931409 8.383128\n5.564453 -5.931409 8.383128\n5.564453 5.931409 -8.383128\nMg Ag Hg\n2 1 1\ndirect\n0.000000 0.240443 0.240443 Mg\n0.000000 0.759557 0.759557 Mg\n0.000000 0.000000 0.000000 Ag\n0.000000 0.500000 0.500000 Hg\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Ag-Hg-Mg",
"density": 0.5357397031516079,
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"volume": 1106.7421213184778,
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"formula_reduced": "Mg2AgHg",
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"is_theoretical": true,
"updated_at": "2021-11-28T01:37:04.854000Z",
"spacegroup": 71
},
{
"id": "mp-1096434",
"created_at": "2022-09-04T14:46:09.250081Z",
"structure_string": "Mg2 Tl1 In1\n1.0\n-6.183680 6.317083 8.705062\n6.183680 -6.317083 8.705062\n6.183680 6.317083 -8.705062\nMg Tl In\n2 1 1\ndirect\n0.754124 0.000000 0.754124 Mg\n0.245876 0.000000 0.245876 Mg\n0.500000 0.000000 0.500000 Tl\n0.000000 0.000000 0.000000 In\n",
"nsites": 4,
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"elements": [
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"Tl",
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],
"chemical_system": "In-Mg-Tl",
"density": 0.4490334713170104,
"density_atomic": 0.002940793576659503,
"volume": 1360.1770732047326,
"volume_molar": 204.7794448340931,
"formula_full": "Mg2 Tl1 In1",
"formula_reduced": "Mg2TlIn",
"formula_anonymous": "ABC2",
"energy": -3.16656153,
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"energy_above_hull": null,
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"formation_energy": null,
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"energy_uncorrected": -3.16656153,
"band_gap": 0.0,
"is_gap_direct": false,
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"total_magnetization": 0.4873932,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:27.574000Z",
"spacegroup": 71
},
{
"id": "mp-1096090",
"created_at": "2022-09-04T14:48:26.878226Z",
"structure_string": "Na1 Tl2 Hg1\n1.0\n-6.121396 6.522159 9.227826\n6.121396 -6.522159 9.227826\n6.121396 6.522159 -9.227826\nNa Tl Hg\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Na\n0.000000 0.260110 0.260110 Tl\n0.000000 0.739890 0.739890 Tl\n0.000000 0.500000 0.500000 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Na",
"Tl",
"Hg"
],
"chemical_system": "Hg-Na-Tl",
"density": 0.7125295517690775,
"density_atomic": 0.00271430561879035,
"volume": 1473.6734037277015,
"volume_molar": 221.86671678791316,
"formula_full": "Na1 Tl2 Hg1",
"formula_reduced": "NaTl2Hg",
"formula_anonymous": "ABC2",
"energy": -3.17600187,
"energy_per_atom": -0.7940004675,
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"energy_uncorrected": -3.17600187,
"band_gap": 0.0,
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"is_magnetic": false,
"total_magnetization": 0.9998662,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:39.781000Z",
"spacegroup": 71
},
{
"id": "mp-1093672",
"created_at": "2022-09-04T14:39:16.487110Z",
"structure_string": "Ba2 Cd1 In1\n1.0\n-6.792592 7.120712 9.734589\n6.792592 -7.120712 9.734589\n6.792592 7.120712 -9.734589\nBa Cd In\n2 1 1\ndirect\n0.736881 0.000000 0.736881 Ba\n0.263119 0.000000 0.263119 Ba\n0.000000 0.000000 0.000000 Cd\n0.500000 0.000000 0.500000 In\n",
"nsites": 4,
"nelements": 3,
"elements": [
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],
"chemical_system": "Ba-Cd-In",
"density": 0.4425017791386481,
"density_atomic": 0.002123847989626484,
"volume": 1883.3739606305207,
"volume_molar": 283.5485773658924,
"formula_full": "Ba2 Cd1 In1",
"formula_reduced": "Ba2CdIn",
"formula_anonymous": "ABC2",
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"energy_uncorrected": -3.18488725,
"band_gap": 0.0,
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"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:34:38.551000Z",
"spacegroup": 71
},
{
"id": "mp-9827",
"created_at": "2022-09-04T14:41:09.209277Z",
"structure_string": "Rb2 Hg4\n1.0\n-2.703651 4.324049 4.879641\n2.703651 -4.324049 4.879641\n2.703651 4.324049 -4.879641\nRb Hg\n2 4\ndirect\n0.302384 0.052384 0.250000 Rb\n0.697616 0.947616 0.750000 Rb\n0.103193 0.664671 0.438522 Hg\n0.896807 0.335329 0.561478 Hg\n0.273852 0.335329 0.938522 Hg\n0.726148 0.664671 0.061478 Hg\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Rb",
"Hg"
],
"chemical_system": "Hg-Rb",
"density": 7.082796396387336,
"density_atomic": 0.026294332505893667,
"volume": 228.18605487152593,
"volume_molar": 22.90280903175688,
"formula_full": "Rb2 Hg4",
"formula_reduced": "RbHg2",
"formula_anonymous": "AB2",
"energy": -4.79314856,
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"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
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"energy_uncorrected": -4.79314856,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 3.67e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:09.943000Z",
"spacegroup": 74
},
{
"id": "mp-3",
"created_at": "2022-09-04T14:42:41.723442Z",
"structure_string": "Cs2\n1.0\n-2.572204 2.572204 9.304593\n2.572204 -2.572204 9.304593\n2.572204 2.572204 -9.304593\nCs\n2\ndirect\n0.250000 0.750000 0.500000 Cs\n0.500000 0.500000 0.000000 Cs\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Cs"
],
"chemical_system": "Cs",
"density": 1.7924774413130244,
"density_atomic": 0.008121977925001916,
"volume": 246.2454365756637,
"volume_molar": 74.14623402831495,
"formula_full": "Cs2",
"formula_reduced": "Cs",
"formula_anonymous": "A",
"energy": -1.59801038,
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"energy_above_hull": null,
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"energy_uncorrected": -1.59801038,
"band_gap": 0.0,
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"is_theoretical": false,
"updated_at": "2021-11-28T01:36:03.460000Z",
"spacegroup": 141
},
{
"id": "mp-1063817",
"created_at": "2022-09-04T14:41:23.289345Z",
"structure_string": "Rb4\n1.0\n0.000000 7.671627 13.050748\n2.435135 0.000000 13.050748\n2.435135 7.671627 0.000000\nRb\n4\ndirect\n0.916997 0.916997 0.583003 Rb\n0.333003 0.333003 0.666997 Rb\n0.583003 0.583003 0.916997 Rb\n0.666997 0.666997 0.333003 Rb\n",
"nsites": 4,
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"elements": [
"Rb"
],
"chemical_system": "Rb",
"density": 1.1642217072195442,
"density_atomic": 0.008203214542958274,
"volume": 487.6137249675668,
"volume_molar": 73.41196220656535,
"formula_full": "Rb4",
"formula_reduced": "Rb",
"formula_anonymous": "A",
"energy": -3.19748225,
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"energy_above_hull": null,
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"band_gap": 0.0,
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"is_magnetic": false,
"total_magnetization": 9.7e-06,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:22.146000Z",
"spacegroup": 70
},
{
"id": "mp-1039121",
"created_at": "2022-09-04T14:43:12.807365Z",
"structure_string": "Mg2 Cd2\n1.0\n2.356076 -4.080843 0.000000\n2.356076 4.080843 0.000000\n0.000000 0.000000 7.592237\nMg Cd\n2 2\ndirect\n0.333333 0.666667 0.375900 Mg\n0.666667 0.333333 0.875900 Mg\n0.333333 0.666667 0.999100 Cd\n0.666667 0.333333 0.499100 Cd\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Mg",
"Cd"
],
"chemical_system": "Cd-Mg",
"density": 3.109993649185819,
"density_atomic": 0.027398138512793446,
"volume": 145.995320015344,
"volume_molar": 21.98010918584117,
"formula_full": "Mg2 Cd2",
"formula_reduced": "MgCd",
"formula_anonymous": "AB",
"energy": -3.1985009,
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"energy_above_hull": null,
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"total_magnetization": 1.7e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:04.680000Z",
"spacegroup": 186
},
{
"id": "mp-1039025",
"created_at": "2022-09-04T14:42:01.903639Z",
"structure_string": "Mg1 Cd1\n1.0\n0.000000 3.323570 3.323570\n3.323570 0.000000 3.323570\n3.323570 3.323570 0.000000\nMg Cd\n1 1\ndirect\n0.750000 0.750000 0.750000 Mg\n0.000000 0.000000 0.000000 Cd\n",
"nsites": 2,
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"elements": [
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],
"chemical_system": "Cd-Mg",
"density": 3.091889430677167,
"density_atomic": 0.027238645619135676,
"volume": 73.4250897774066,
"volume_molar": 22.10881129775898,
"formula_full": "Mg1 Cd1",
"formula_reduced": "MgCd",
"formula_anonymous": "AB",
"energy": -1.59974992,
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"energy_above_hull": null,
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"updated_at": "2021-11-28T01:35:33.955000Z",
"spacegroup": 216
},
{
"id": "mp-1097370",
"created_at": "2022-09-04T14:44:12.980820Z",
"structure_string": "Ca2 Mg1 Ga1\n1.0\n-6.314174 6.412769 9.047189\n6.314174 -6.412769 9.047189\n6.314174 6.412769 -9.047189\nCa Mg Ga\n2 1 1\ndirect\n0.000000 0.273442 0.273442 Ca\n0.000000 0.726558 0.726558 Ca\n0.000000 0.000000 0.000000 Mg\n0.000000 0.500000 0.500000 Ga\n",
"nsites": 4,
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"density": 0.19738837011759555,
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"volume": 1465.3311975996253,
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"formula_full": "Ca2 Mg1 Ga1",
"formula_reduced": "Ca2MgGa",
"formula_anonymous": "ABC2",
"energy": -3.20607165,
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"updated_at": "2021-11-28T01:36:27.765000Z",
"spacegroup": 71
},
{
"id": "mp-1095767",
"created_at": "2022-09-04T14:46:58.738599Z",
"structure_string": "Mg2 Hg1 Pb1\n1.0\n-5.579237 6.044697 9.049839\n5.579237 -6.044697 9.049839\n5.579237 6.044697 -9.049839\nMg Hg Pb\n2 1 1\ndirect\n0.000000 0.249307 0.249307 Mg\n0.000000 0.750693 0.750693 Mg\n0.000000 0.000000 0.000000 Hg\n0.000000 0.500000 0.500000 Pb\n",
"nsites": 4,
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],
"chemical_system": "Hg-Mg-Pb",
"density": 0.6207897572676656,
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"volume": 1220.8159382846734,
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"formula_full": "Mg2 Hg1 Pb1",
"formula_reduced": "Mg2HgPb",
"formula_anonymous": "ABC2",
"energy": -3.2177466,
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"updated_at": "2021-11-28T01:37:46.336000Z",
"spacegroup": 71
}
]
}