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{
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"results": [
{
"id": "mp-865742",
"created_at": "2022-09-04T14:48:15.057456Z",
"structure_string": "Yb1 Cd1 Hg2\n1.0\n0.000000 3.634548 3.634548\n3.634548 0.000000 3.634548\n3.634548 3.634548 0.000000\nYb Cd Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Yb\n0.500000 0.500000 0.500000 Cd\n0.250000 0.250000 0.250000 Hg\n0.750000 0.750000 0.750000 Hg\n",
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{
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"structure_string": "K1 Hg2 B1\n1.0\n0.000000 3.647893 3.647893\n3.647893 0.000000 3.647893\n3.647893 3.647893 0.000000\nK Hg B\n1 2 1\ndirect\n0.750000 0.750000 0.750000 K\n0.000000 0.000000 0.000000 Hg\n0.250000 0.250000 0.250000 Hg\n0.500000 0.500000 0.500000 B\n",
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"updated_at": "2021-11-28T01:36:16.049000Z",
"spacegroup": 216
},
{
"id": "mp-1094617",
"created_at": "2022-09-04T14:44:05.941336Z",
"structure_string": "Mg1 Ga1\n1.0\n4.813083 -1.554695 0.000000\n4.813083 1.554695 0.000000\n4.310894 0.000000 2.645569\nMg Ga\n1 1\ndirect\n0.500000 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 Ga\n",
"nsites": 2,
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"elements": [
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"formula_full": "Mg1 Ga1",
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"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:36:23.834000Z",
"spacegroup": 166
},
{
"id": "mp-30373",
"created_at": "2022-09-04T14:48:01.960890Z",
"structure_string": "Rb1 Au1\n1.0\n4.202031 0.000000 0.000000\n0.000000 4.202031 0.000000\n0.000000 0.000000 4.202031\nRb Au\n1 1\ndirect\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Au\n",
"nsites": 2,
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"elements": [
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"chemical_system": "Au-Rb",
"density": 6.321045050209391,
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"volume": 74.19553250288638,
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"formula_full": "Rb1 Au1",
"formula_reduced": "RbAu",
"formula_anonymous": "AB",
"energy": -4.80202715,
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"energy_above_hull": null,
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"energy_uncorrected": -4.80202715,
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"is_theoretical": false,
"updated_at": "2021-11-28T01:38:22.085000Z",
"spacegroup": 221
},
{
"id": "mp-10023",
"created_at": "2022-09-04T14:45:15.106703Z",
"structure_string": "La1\n1.0\n-2.111814 2.111814 2.111814\n2.111814 -2.111814 2.111814\n2.111814 2.111814 -2.111814\nLa\n1\ndirect\n0.000000 0.000000 0.000000 La\n",
"nsites": 1,
"nelements": 1,
"elements": [
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"chemical_system": "La",
"density": 6.122678571967442,
"density_atomic": 0.02654440620759267,
"volume": 37.67272065456727,
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"formula_full": "La1",
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"formula_anonymous": "A",
"energy": -4.80249767,
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"energy_above_hull": null,
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"formation_energy": null,
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:36:58.084000Z",
"spacegroup": 229
},
{
"id": "mp-1186050",
"created_at": "2022-09-04T14:46:51.889045Z",
"structure_string": "Na3 Hg1\n1.0\n-2.410195 2.410195 5.049740\n2.410195 -2.410195 5.049740\n2.410195 2.410195 -5.049740\nNa Hg\n3 1\ndirect\n0.750000 0.250000 0.500000 Na\n0.250000 0.750000 0.500000 Na\n0.500000 0.500000 0.000000 Na\n0.000000 0.000000 0.000000 Hg\n",
"nsites": 4,
"nelements": 2,
"elements": [
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"chemical_system": "Hg-Na",
"density": 3.814784931806106,
"density_atomic": 0.03408997006334265,
"volume": 117.33656534656943,
"volume_molar": 17.665432820299483,
"formula_full": "Na3 Hg1",
"formula_reduced": "Na3Hg",
"formula_anonymous": "AB3",
"energy": -4.81049717,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:37:44.589000Z",
"spacegroup": 139
},
{
"id": "mp-1096269",
"created_at": "2022-09-04T14:46:21.542562Z",
"structure_string": "Li1 Y1 Zn2\n1.0\n-5.587028 5.922853 8.361257\n5.587028 -5.922853 8.361257\n5.587028 5.922853 -8.361257\nLi Y Zn\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.500000 Y\n0.000000 0.237274 0.237274 Zn\n0.000000 0.762726 0.762726 Zn\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"Y",
"Zn"
],
"chemical_system": "Li-Y-Zn",
"density": 0.34008690434593786,
"density_atomic": 0.003614236983478746,
"volume": 1106.7342895013908,
"volume_molar": 166.6227418823991,
"formula_full": "Li1 Y1 Zn2",
"formula_reduced": "LiYZn2",
"formula_anonymous": "ABC2",
"energy": -4.81304776,
"energy_per_atom": -1.20326194,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -4.81304776,
"band_gap": 0.262,
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"is_magnetic": true,
"total_magnetization": 1.9999672,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:30.956000Z",
"spacegroup": 71
},
{
"id": "mp-1094850",
"created_at": "2022-09-04T14:42:20.499171Z",
"structure_string": "Mg1 Ga1\n1.0\n1.569364 -2.718217 0.000000\n1.569364 2.718217 0.000000\n0.000000 0.000000 4.687775\nMg Ga\n1 1\ndirect\n0.000000 0.000000 0.000000 Mg\n0.666667 0.333333 0.500000 Ga\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Mg",
"Ga"
],
"chemical_system": "Ga-Mg",
"density": 3.9039273904375964,
"density_atomic": 0.050006381652612494,
"volume": 39.99489532943469,
"volume_molar": 12.042744467766115,
"formula_full": "Mg1 Ga1",
"formula_reduced": "MgGa",
"formula_anonymous": "AB",
"energy": -4.81537694,
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"energy_above_hull": null,
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"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:45.115000Z",
"spacegroup": 187
},
{
"id": "mp-29551",
"created_at": "2022-09-04T14:42:11.588466Z",
"structure_string": "Na3 Hg1\n1.0\n0.000000 3.875865 3.875865\n3.875865 0.000000 3.875865\n3.875865 3.875865 0.000000\nNa Hg\n3 1\ndirect\n0.500000 0.500000 0.500000 Na\n0.750000 0.750000 0.750000 Na\n0.250000 0.250000 0.250000 Na\n0.000000 0.000000 0.000000 Hg\n",
"nsites": 4,
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"elements": [
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"Hg"
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"chemical_system": "Hg-Na",
"density": 3.843859535628861,
"density_atomic": 0.0343497887403164,
"volume": 116.44904224127569,
"volume_molar": 17.531813093603702,
"formula_full": "Na3 Hg1",
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"energy": -4.81672836,
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"energy_above_hull": null,
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"updated_at": "2021-11-28T01:35:37.679000Z",
"spacegroup": 225
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{
"id": "mp-1096009",
"created_at": "2022-09-04T14:39:41.282917Z",
"structure_string": "Na2 Tl1 Pb1\n1.0\n-6.358477 6.439894 9.075325\n6.358477 -6.439894 9.075325\n6.358477 6.439894 -9.075325\nNa Tl Pb\n2 1 1\ndirect\n0.000000 0.253706 0.253706 Na\n0.000000 0.746294 0.746294 Na\n0.000000 0.000000 0.000000 Tl\n0.000000 0.500000 0.500000 Pb\n",
"nsites": 4,
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"elements": [
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"density": 0.51114702958938,
"density_atomic": 0.0026909522390361237,
"volume": 1486.462651389445,
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"formula_full": "Na2 Tl1 Pb1",
"formula_reduced": "Na2TlPb",
"formula_anonymous": "ABC2",
"energy": -4.81971031,
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"updated_at": "2021-11-28T01:34:32.206000Z",
"spacegroup": 71
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{
"id": "mp-1172894",
"created_at": "2022-09-04T14:46:27.249595Z",
"structure_string": "Ca2 Ga4\n1.0\n17.361917 0.000000 0.000000\n-8.680958 15.035861 -0.000000\n0.000000 -0.000000 29.921568\nCa Ga\n2 4\ndirect\n-0.000000 0.000000 0.250000 Ca\n-0.000000 0.000000 0.750000 Ca\n0.666667 0.333333 0.704356 Ga\n0.333333 0.666667 0.204356 Ga\n0.666667 0.333333 0.795644 Ga\n0.333333 0.666667 0.295644 Ga\n",
"nsites": 6,
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"density": 0.07632930061378769,
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"volume": 7811.066340058934,
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"formula_full": "Ca2 Ga4",
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"updated_at": "2021-11-28T01:37:36.169000Z",
"spacegroup": 194
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{
"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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"elements": [
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"density": 0.296872016418202,
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"volume": 1683.0190541923585,
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"formula_full": "Sr2 Li1 Sn1",
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"updated_at": "2021-11-28T01:36:03.068000Z",
"spacegroup": 71
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]
}