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{
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"results": [
{
"id": "mp-1093766",
"created_at": "2022-09-04T14:42:04.973341Z",
"structure_string": "Ca2 Zn1 In1\n1.0\n-6.223460 6.789714 9.322966\n6.223460 -6.789714 9.322966\n6.223460 6.789714 -9.322966\nCa Zn In\n2 1 1\ndirect\n0.000000 0.256219 0.256219 Ca\n0.000000 0.743781 0.743781 Ca\n0.000000 0.000000 0.000000 Zn\n0.000000 0.500000 0.500000 In\n",
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"elements": [
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"density": 0.27438745309605744,
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"volume": 1575.7868623356537,
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"formula_full": "Ca2 Zn1 In1",
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{
"id": "mp-1097624",
"created_at": "2022-09-04T14:47:23.852238Z",
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"nsites": 4,
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"elements": [
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"density": 0.27255800247345296,
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"volume": 1574.989225946418,
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"formula_full": "Sr1 Ca1 Zn2",
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"updated_at": "2021-11-28T01:38:05.627000Z",
"spacegroup": 71
},
{
"id": "mp-1096529",
"created_at": "2022-09-04T14:48:26.268420Z",
"structure_string": "La1 Mg2 Sc1\n1.0\n-6.113243 6.983582 9.218310\n6.113243 -6.983582 9.218310\n6.113243 6.983582 -9.218310\nLa Mg Sc\n1 2 1\ndirect\n0.000000 0.500000 0.500000 La\n0.000000 0.245280 0.245280 Mg\n0.000000 0.754720 0.754720 Mg\n0.000000 0.000000 0.000000 Sc\n",
"nsites": 4,
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"elements": [
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"chemical_system": "La-Mg-Sc",
"density": 0.24522085288981424,
"density_atomic": 0.0025409656555490322,
"volume": 1574.2046694982623,
"volume_molar": 237.00205261919538,
"formula_full": "La1 Mg2 Sc1",
"formula_reduced": "LaMg2Sc",
"formula_anonymous": "ABC2",
"energy": -5.13609459,
"energy_per_atom": -1.2840236475,
"energy_above_hull": null,
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"energy_uncorrected": -5.13609459,
"band_gap": 0.0,
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"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:39:17.407000Z",
"spacegroup": 71
},
{
"id": "mp-1097503",
"created_at": "2022-09-04T14:42:01.806422Z",
"structure_string": "Ca2 Tl1 Sn1\n1.0\n-6.201427 6.704326 9.461468\n6.201427 -6.704326 9.461468\n6.201427 6.704326 -9.461468\nCa Tl Sn\n2 1 1\ndirect\n0.000000 0.243827 0.243827 Ca\n0.000000 0.756173 0.756173 Ca\n0.000000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Sn\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"Tl",
"Sn"
],
"chemical_system": "Ca-Sn-Tl",
"density": 0.4255567111234998,
"density_atomic": 0.0025421122036755027,
"volume": 1573.494668809904,
"volume_molar": 236.8951595170706,
"formula_full": "Ca2 Tl1 Sn1",
"formula_reduced": "Ca2TlSn",
"formula_anonymous": "ABC2",
"energy": -5.66979066,
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"energy_above_hull": null,
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"energy_uncorrected": -5.66979066,
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"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:37.240000Z",
"spacegroup": 71
},
{
"id": "mp-1096326",
"created_at": "2022-09-04T14:40:34.120689Z",
"structure_string": "K1 Na1 Hg2\n1.0\n-6.443670 6.736404 9.057524\n6.443670 -6.736404 9.057524\n6.443670 6.736404 -9.057524\nK Na Hg\n1 1 2\ndirect\n0.500000 0.000000 0.500000 K\n0.000000 0.000000 0.000000 Na\n0.237187 0.000000 0.237187 Hg\n0.762813 0.000000 0.762813 Hg\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Hg-K-Na",
"density": 0.4891595810297792,
"density_atomic": 0.002543484472530325,
"volume": 1572.6457319476754,
"volume_molar": 236.76734908505324,
"formula_full": "K1 Na1 Hg2",
"formula_reduced": "KNaHg2",
"formula_anonymous": "ABC2",
"energy": -1.67575721,
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"energy_above_hull": null,
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"energy_uncorrected": -1.67575721,
"band_gap": 0.0516,
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"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:57.073000Z",
"spacegroup": 71
},
{
"id": "mp-1097221",
"created_at": "2022-09-04T14:47:14.321079Z",
"structure_string": "Y2 Mg1 Hg1\n1.0\n-6.147972 6.377526 10.018809\n6.147972 -6.377526 10.018809\n6.147972 6.377526 -10.018809\nY Mg Hg\n2 1 1\ndirect\n0.264053 0.000000 0.264053 Y\n0.735947 0.000000 0.735947 Y\n0.000000 0.000000 0.000000 Mg\n0.500000 0.000000 0.500000 Hg\n",
"nsites": 4,
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"elements": [
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"Mg",
"Hg"
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"chemical_system": "Hg-Mg-Y",
"density": 0.42557660468885544,
"density_atomic": 0.0025456563980533137,
"volume": 1571.3039682255767,
"volume_molar": 236.56534183502475,
"formula_full": "Y2 Mg1 Hg1",
"formula_reduced": "Y2MgHg",
"formula_anonymous": "ABC2",
"energy": -6.61304466,
"energy_per_atom": -1.653261165,
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"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -6.61304466,
"band_gap": 0.0,
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"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:37:59.612000Z",
"spacegroup": 71
},
{
"id": "mp-1093913",
"created_at": "2022-09-04T14:39:34.381671Z",
"structure_string": "La1 Zn1 Ag2\n1.0\n-5.878273 6.959780 9.601569\n5.878273 -6.959780 9.601569\n5.878273 6.959780 -9.601569\nLa Zn Ag\n1 1 2\ndirect\n0.000000 0.500000 0.500000 La\n0.000000 0.000000 0.000000 Zn\n0.000000 0.234464 0.234464 Ag\n0.000000 0.765536 0.765536 Ag\n",
"nsites": 4,
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"elements": [
"La",
"Zn",
"Ag"
],
"chemical_system": "Ag-La-Zn",
"density": 0.44391878581184147,
"density_atomic": 0.0025457311064167533,
"volume": 1571.257855913229,
"volume_molar": 236.55839946413158,
"formula_full": "La1 Zn1 Ag2",
"formula_reduced": "LaZnAg2",
"formula_anonymous": "ABC2",
"energy": -5.91612846,
"energy_per_atom": -1.479032115,
"energy_above_hull": null,
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"energy_uncorrected": -5.91612846,
"band_gap": 0.3879000000000001,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:34:28.421000Z",
"spacegroup": 71
},
{
"id": "mp-1097338",
"created_at": "2022-09-04T14:39:16.740144Z",
"structure_string": "Ca2 Zn1 Pb1\n1.0\n-6.245206 6.669501 9.428726\n6.245206 -6.669501 9.428726\n6.245206 6.669501 -9.428726\nCa Zn Pb\n2 1 1\ndirect\n0.000000 0.257838 0.257838 Ca\n0.000000 0.742162 0.742162 Ca\n0.000000 0.000000 0.000000 Zn\n0.000000 0.500000 0.500000 Pb\n",
"nsites": 4,
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"elements": [
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"Zn",
"Pb"
],
"chemical_system": "Ca-Pb-Zn",
"density": 0.37289062965291175,
"density_atomic": 0.002546284195575974,
"volume": 1570.9165563489637,
"volume_molar": 236.5070156136983,
"formula_full": "Ca2 Zn1 Pb1",
"formula_reduced": "Ca2ZnPb",
"formula_anonymous": "ABC2",
"energy": -4.16892501,
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"energy_above_hull": null,
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"energy_uncorrected": -4.16892501,
"band_gap": 0.0054000000000002,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:34:44.191000Z",
"spacegroup": 71
},
{
"id": "mp-1093659",
"created_at": "2022-09-04T14:39:13.755492Z",
"structure_string": "Ca2 Al1 Tl1\n1.0\n-6.144115 6.691737 9.544502\n6.144115 -6.691737 9.544502\n6.144115 6.691737 -9.544502\nCa Al Tl\n2 1 1\ndirect\n0.000000 0.242329 0.242329 Ca\n0.000000 0.757671 0.757671 Ca\n0.000000 0.000000 0.000000 Al\n0.000000 0.500000 0.500000 Tl\n",
"nsites": 4,
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"elements": [
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"Al",
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],
"chemical_system": "Al-Ca-Tl",
"density": 0.32955259547917376,
"density_atomic": 0.0025482881047749766,
"volume": 1569.6812273717437,
"volume_molar": 236.32103248905514,
"formula_full": "Ca2 Al1 Tl1",
"formula_reduced": "Ca2AlTl",
"formula_anonymous": "ABC2",
"energy": -4.24739645,
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"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:34:33.585000Z",
"spacegroup": 71
},
{
"id": "mp-1096160",
"created_at": "2022-09-04T14:45:59.545149Z",
"structure_string": "Sr2 In1 Hg1\n1.0\n-6.607176 6.733677 8.811030\n6.607176 -6.733677 8.811030\n6.607176 6.733677 -8.811030\nSr In Hg\n2 1 1\ndirect\n0.759600 0.000000 0.759600 Sr\n0.240400 0.000000 0.240400 Sr\n0.000000 0.000000 0.000000 In\n0.500000 0.000000 0.500000 Hg\n",
"nsites": 4,
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"elements": [
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"density": 0.5195942102289478,
"density_atomic": 0.0025509689008503815,
"volume": 1568.0316599181492,
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"formula_full": "Sr2 In1 Hg1",
"formula_reduced": "Sr2InHg",
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"energy_uncorrected": -2.59934461,
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"updated_at": "2021-11-28T01:37:17.424000Z",
"spacegroup": 71
},
{
"id": "mp-1093748",
"created_at": "2022-09-04T14:43:15.775270Z",
"structure_string": "Rb2 Au1 I1\n1.0\n-6.467235 6.623159 9.146578\n6.467235 -6.623159 9.146578\n6.467235 6.623159 -9.146578\nRb Au I\n2 1 1\ndirect\n0.257245 0.000000 0.257245 Rb\n0.742755 0.000000 0.742755 Rb\n0.500000 0.000000 0.500000 Au\n0.000000 0.000000 0.000000 I\n",
"nsites": 4,
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"density": 0.5243027777266706,
"density_atomic": 0.002552451709864905,
"volume": 1567.1207351506407,
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"formula_full": "Rb2 Au1 I1",
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"energy": -9.08328508,
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"energy_above_hull": null,
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"energy_uncorrected": -8.70428508,
"band_gap": 3.1823999999999995,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:36:12.432000Z",
"spacegroup": 71
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{
"id": "mp-1095752",
"created_at": "2022-09-04T14:39:18.644312Z",
"structure_string": "Cs1 K1 Au2\n1.0\n-6.401265 6.568227 9.312422\n6.401265 -6.568227 9.312422\n6.401265 6.568227 -9.312422\nCs K Au\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Cs\n0.000000 0.000000 0.000000 K\n0.000000 0.240059 0.240059 Au\n0.000000 0.759941 0.759941 Au\n",
"nsites": 4,
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"elements": [
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"density": 0.600040413327613,
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"volume": 1566.1617018385023,
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"formula_full": "Cs1 K1 Au2",
"formula_reduced": "CsKAu2",
"formula_anonymous": "ABC2",
"energy": -8.09277375,
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"band_gap": 2.9062,
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"total_magnetization": 1.5e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:32.075000Z",
"spacegroup": 71
}
]
}