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{
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"results": [
{
"id": "mp-1093885",
"created_at": "2022-09-04T14:47:09.616965Z",
"structure_string": "La2 Mg1 Zn1\n1.0\n-6.216768 6.495402 9.173490\n6.216768 -6.495402 9.173490\n6.216768 6.495402 -9.173490\nLa Mg Zn\n2 1 1\ndirect\n0.000000 0.265467 0.265467 La\n0.000000 0.734533 0.734533 La\n0.000000 0.000000 0.000000 Mg\n0.000000 0.500000 0.500000 Zn\n",
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"volume": 1481.7170502769147,
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"formula_full": "La2 Mg1 Zn1",
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{
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"created_at": "2022-09-04T14:47:30.326282Z",
"structure_string": "Ca1 Sc1 Hg2\n1.0\n-6.114135 6.224303 8.874188\n6.114135 -6.224303 8.874188\n6.114135 6.224303 -8.874188\nCa Sc Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.000000 0.500000 0.500000 Sc\n0.000000 0.258701 0.258701 Hg\n0.000000 0.741299 0.741299 Hg\n",
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"elements": [
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"density": 0.597670902094675,
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"volume": 1350.8725165819108,
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"formula_full": "Ca1 Sc1 Hg2",
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"updated_at": "2021-11-28T01:38:09.902000Z",
"spacegroup": 71
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{
"id": "mp-12581",
"created_at": "2022-09-04T14:46:10.958891Z",
"structure_string": "Cd1 Te1\n1.0\n3.094199 0.000000 0.000000\n0.000000 3.094199 0.000000\n0.000000 0.000000 6.372956\nCd Te\n1 1\ndirect\n0.000000 0.000000 0.500000 Cd\n0.000000 0.000000 0.000000 Te\n",
"nsites": 2,
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"elements": [
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"chemical_system": "Cd-Te",
"density": 6.531949838797076,
"density_atomic": 0.032778765456657484,
"volume": 61.015110610085316,
"volume_molar": 18.372079229045163,
"formula_full": "Cd1 Te1",
"formula_reduced": "CdTe",
"formula_anonymous": "AB",
"energy": -4.432544,
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"energy_uncorrected": -4.010544,
"band_gap": 0.0,
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"is_magnetic": false,
"total_magnetization": 0.0025899,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:15.598000Z",
"spacegroup": 123
},
{
"id": "mp-1097176",
"created_at": "2022-09-04T14:46:52.215564Z",
"structure_string": "Sr1 Li1 Tl2\n1.0\n-6.168236 6.889960 9.761463\n6.168236 -6.889960 9.761463\n6.168236 6.889960 -9.761463\nSr Li Tl\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Sr\n0.000000 0.000000 0.000000 Li\n0.000000 0.222286 0.222286 Tl\n0.000000 0.777714 0.777714 Tl\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"Li",
"Tl"
],
"chemical_system": "Li-Sr-Tl",
"density": 0.5036713605700279,
"density_atomic": 0.0024105014953931594,
"volume": 1659.405732643028,
"volume_molar": 249.82937249818102,
"formula_full": "Sr1 Li1 Tl2",
"formula_reduced": "SrLiTl2",
"formula_anonymous": "ABC2",
"energy": -4.01599865,
"energy_per_atom": -1.0039996625,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -4.01599865,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:37:43.083000Z",
"spacegroup": 71
},
{
"id": "mp-1186879",
"created_at": "2022-09-04T14:48:01.830314Z",
"structure_string": "Rb3 Sr1\n1.0\n-3.411771 3.411771 6.932460\n3.411771 -3.411771 6.932460\n3.411771 3.411771 -6.932460\nRb Sr\n3 1\ndirect\n0.750000 0.250000 0.500000 Rb\n0.250000 0.750000 0.500000 Rb\n0.500000 0.500000 0.000000 Rb\n0.000000 0.000000 0.000000 Sr\n",
"nsites": 4,
"nelements": 2,
"elements": [
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"Sr"
],
"chemical_system": "Rb-Sr",
"density": 1.769823553917926,
"density_atomic": 0.0123923274588187,
"volume": 322.7803665850919,
"volume_molar": 48.5957200534956,
"formula_full": "Rb3 Sr1",
"formula_reduced": "Rb3Sr",
"formula_anonymous": "AB3",
"energy": -4.03368301,
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"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:38:27.903000Z",
"spacegroup": 139
},
{
"id": "mp-1095744",
"created_at": "2022-09-04T14:44:07.458479Z",
"structure_string": "Na1 Y1 Hg2\n1.0\n-6.127312 6.280171 8.649224\n6.127312 -6.280171 8.649224\n6.127312 6.280171 -8.649224\nNa Y Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Na\n0.500000 0.000000 0.500000 Y\n0.754705 0.000000 0.754705 Hg\n0.245295 0.000000 0.245295 Hg\n",
"nsites": 4,
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"elements": [
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"Y",
"Hg"
],
"chemical_system": "Hg-Na-Y",
"density": 0.6399585936257911,
"density_atomic": 0.003004563528570077,
"volume": 1331.3081790298068,
"volume_molar": 200.4331312264194,
"formula_full": "Na1 Y1 Hg2",
"formula_reduced": "NaYHg2",
"formula_anonymous": "ABC2",
"energy": -4.03397519,
"energy_per_atom": -1.0084937975,
"energy_above_hull": null,
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"decomposes_to": null,
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"energy_uncorrected": -4.03397519,
"band_gap": 0.0,
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"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:36:32.626000Z",
"spacegroup": 71
},
{
"id": "mp-11498",
"created_at": "2022-09-04T14:43:09.921725Z",
"structure_string": "Mg1 Tl1\n1.0\n3.691257 0.000000 0.000000\n0.000000 3.691257 0.000000\n0.000000 0.000000 3.691257\nMg Tl\n1 1\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Tl\n",
"nsites": 2,
"nelements": 2,
"elements": [
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"Tl"
],
"chemical_system": "Mg-Tl",
"density": 7.5504040486949515,
"density_atomic": 0.039765563862977,
"volume": 50.29477280622854,
"volume_molar": 15.144110066566425,
"formula_full": "Mg1 Tl1",
"formula_reduced": "MgTl",
"formula_anonymous": "AB",
"energy": -4.03588904,
"energy_per_atom": -2.01794452,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.03588904,
"band_gap": 0.0,
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"is_magnetic": false,
"total_magnetization": 0.0009901,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:02.539000Z",
"spacegroup": 221
},
{
"id": "mp-1097135",
"created_at": "2022-09-04T14:41:04.366046Z",
"structure_string": "Ca2 Tl1 In1\n1.0\n-6.356433 7.968901 11.423965\n6.356433 -7.968901 11.423965\n6.356433 7.968901 -11.423965\nCa Tl In\n2 1 1\ndirect\n0.000000 0.249030 0.249030 Ca\n0.000000 0.750970 0.750970 Ca\n0.000000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 In\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ca",
"Tl",
"In"
],
"chemical_system": "Ca-In-Tl",
"density": 0.28649824408972874,
"density_atomic": 0.001728109393765856,
"volume": 2314.668281087977,
"volume_molar": 348.48145503547613,
"formula_full": "Ca2 Tl1 In1",
"formula_reduced": "Ca2TlIn",
"formula_anonymous": "ABC2",
"energy": -4.04066587,
"energy_per_atom": -1.0101664675,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:35:22.411000Z",
"spacegroup": 71
},
{
"id": "mp-11267",
"created_at": "2022-09-04T14:39:12.634534Z",
"structure_string": "Ba1 Hg2\n1.0\n2.614843 -4.529040 0.000000\n2.614843 4.529040 0.000000\n0.000000 0.000000 4.346182\nBa Hg\n1 2\ndirect\n0.000000 0.000000 0.500000 Ba\n0.666667 0.333333 0.000000 Hg\n0.333333 0.666667 0.000000 Hg\n",
"nsites": 3,
"nelements": 2,
"elements": [
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"Hg"
],
"chemical_system": "Ba-Hg",
"density": 8.686618959940219,
"density_atomic": 0.02914282012489497,
"volume": 102.94130722912706,
"volume_molar": 20.664234738406957,
"formula_full": "Ba1 Hg2",
"formula_reduced": "BaHg2",
"formula_anonymous": "AB2",
"energy": -4.04367412,
"energy_per_atom": -1.3478913733333335,
"energy_above_hull": null,
"is_stable": null,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:34:36.135000Z",
"spacegroup": 191
},
{
"id": "mp-973450",
"created_at": "2022-09-04T14:47:06.792392Z",
"structure_string": "Hg3 C1\n1.0\n4.282168 0.000000 0.000000\n0.000000 4.282168 0.000000\n0.000000 0.000000 4.282168\nHg C\n3 1\ndirect\n0.000000 0.500000 0.500000 Hg\n0.500000 0.000000 0.500000 Hg\n0.500000 0.500000 0.000000 Hg\n0.000000 0.000000 0.000000 C\n",
"nsites": 4,
"nelements": 2,
"elements": [
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"C"
],
"chemical_system": "C-Hg",
"density": 12.97989622939407,
"density_atomic": 0.05094116655712185,
"volume": 78.52195523466627,
"volume_molar": 11.821756679339478,
"formula_full": "Hg3 C1",
"formula_reduced": "Hg3C",
"formula_anonymous": "AB3",
"energy": -4.04793722,
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"energy_above_hull": null,
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"updated_at": "2021-11-28T01:37:57.849000Z",
"spacegroup": 221
},
{
"id": "mp-1097341",
"created_at": "2022-09-04T14:40:36.829506Z",
"structure_string": "La1 Cd2 Ag1\n1.0\n-5.942965 6.377883 8.961954\n5.942965 -6.377883 8.961954\n5.942965 6.377883 -8.961954\nLa Cd Ag\n1 2 1\ndirect\n0.000000 0.500000 0.500000 La\n0.000000 0.231785 0.231785 Cd\n0.000000 0.768215 0.768215 Cd\n0.000000 0.000000 0.000000 Ag\n",
"nsites": 4,
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"elements": [
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],
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"density": 0.5763369767867764,
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"volume": 1358.758964313548,
"volume_molar": 204.56594355020007,
"formula_full": "La1 Cd2 Ag1",
"formula_reduced": "LaCd2Ag",
"formula_anonymous": "ABC2",
"energy": -4.0535213,
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"updated_at": "2021-11-28T01:35:06.597000Z",
"spacegroup": 71
},
{
"id": "mp-974862",
"created_at": "2022-09-04T14:42:40.611037Z",
"structure_string": "Rb3 Na1\n1.0\n-3.279681 3.279681 6.919213\n3.279681 -3.279681 6.919213\n3.279681 3.279681 -6.919213\nRb Na\n3 1\ndirect\n0.750000 0.250000 0.500000 Rb\n0.250000 0.750000 0.500000 Rb\n0.500000 0.500000 0.000000 Rb\n0.000000 0.000000 0.000000 Na\n",
"nsites": 4,
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"elements": [
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"density": 1.558421684154114,
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"volume": 297.7007296856549,
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"formula_full": "Rb3 Na1",
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"formula_anonymous": "AB3",
"energy": -4.05770238,
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:35:53.737000Z",
"spacegroup": 139
}
]
}