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{
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"results": [
{
"id": "mp-1185577",
"created_at": "2022-09-04T14:44:14.008628Z",
"structure_string": "Cs2 Hg6\n1.0\n3.922969 -6.794781 0.000000\n3.922969 6.794781 0.000000\n0.000000 0.000000 5.920655\nCs Hg\n2 6\ndirect\n0.333333 0.666667 0.750000 Cs\n0.666667 0.333333 0.250000 Cs\n0.140578 0.281156 0.250000 Hg\n0.718844 0.859422 0.250000 Hg\n0.140578 0.859422 0.250000 Hg\n0.859422 0.718844 0.750000 Hg\n0.281156 0.140578 0.750000 Hg\n0.859422 0.140578 0.750000 Hg\n",
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{
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"created_at": "2022-09-04T14:45:53.832671Z",
"structure_string": "Mg1 Sn1\n1.0\n0.000000 2.996797 2.996797\n2.996797 0.000000 2.996797\n2.996797 2.996797 0.000000\nMg Sn\n1 1\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Sn\n",
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"spacegroup": 225
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{
"id": "mp-1061855",
"created_at": "2022-09-04T14:48:01.433439Z",
"structure_string": "Dy1 Hg2\n1.0\n2.677834 -4.638144 0.000000\n2.677834 4.638144 0.000000\n0.000000 0.000000 3.447084\nDy Hg\n1 2\ndirect\n0.000000 0.000000 0.000000 Dy\n0.333333 0.666667 0.920512 Hg\n0.666667 0.333333 0.079488 Hg\n",
"nsites": 3,
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"density": 10.931304236124783,
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"volume": 85.62680544265142,
"volume_molar": 17.188555840159363,
"formula_full": "Dy1 Hg2",
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"updated_at": "2021-11-28T01:38:24.526000Z",
"spacegroup": 164
},
{
"id": "mp-1181998",
"created_at": "2022-09-04T14:41:53.670739Z",
"structure_string": "Br1 O1\n1.0\n3.357667 -1.884282 0.000000\n3.357667 1.884282 0.000000\n2.300231 0.000000 3.087618\nBr O\n1 1\ndirect\n0.957619 0.957619 0.957619 Br\n0.591181 0.591181 0.591181 O\n",
"nsites": 2,
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"elements": [
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"chemical_system": "Br-O",
"density": 4.076111168747045,
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"volume": 39.069430574122116,
"volume_molar": 11.76408051652055,
"formula_full": "Br1 O1",
"formula_reduced": "BrO",
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"energy": -5.431875310000001,
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"updated_at": "2021-11-28T01:35:29.843000Z",
"spacegroup": 160
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{
"id": "mp-12661",
"created_at": "2022-09-04T14:39:36.815549Z",
"structure_string": "Cd3 In1\n1.0\n4.595004 0.000000 0.000000\n0.000000 4.595004 0.000000\n0.000000 0.000000 4.595004\nCd In\n3 1\ndirect\n0.500000 0.500000 0.000000 Cd\n0.500000 0.000000 0.500000 Cd\n0.000000 0.500000 0.500000 Cd\n0.000000 0.000000 0.000000 In\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Cd-In",
"density": 7.7371114087281025,
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"volume": 97.01919824352058,
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"formula_full": "Cd3 In1",
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"updated_at": "2021-11-28T01:34:26.985000Z",
"spacegroup": 221
},
{
"id": "mp-1064459",
"created_at": "2022-09-04T14:40:32.055677Z",
"structure_string": "P1 Br1\n1.0\n3.437410 0.000000 0.000000\n0.000000 3.437410 0.000000\n0.000000 0.000000 3.437410\nP Br\n1 1\ndirect\n0.000000 0.000000 0.000000 P\n0.500000 0.500000 0.500000 Br\n",
"nsites": 2,
"nelements": 2,
"elements": [
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"Br"
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"chemical_system": "Br-P",
"density": 4.533144266693646,
"density_atomic": 0.049242034428599216,
"volume": 40.615706138218016,
"volume_molar": 12.229674971557246,
"formula_full": "P1 Br1",
"formula_reduced": "PBr",
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"energy": -5.43636809,
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"band_gap": 0.0,
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"total_magnetization": 0.0017127,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:53.728000Z",
"spacegroup": 221
},
{
"id": "mp-1008754",
"created_at": "2022-09-04T14:48:27.644981Z",
"structure_string": "Tb1 Hg2\n1.0\n2.688185 -4.656072 0.000000\n2.688185 4.656072 0.000000\n0.000000 0.000000 3.396856\nTb Hg\n1 2\ndirect\n0.000000 0.000000 0.000000 Tb\n0.666667 0.333333 0.955840 Hg\n0.333333 0.666667 0.044160 Hg\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Tb",
"Hg"
],
"chemical_system": "Hg-Tb",
"density": 10.937872214927832,
"density_atomic": 0.035280544695360315,
"volume": 85.0327007676422,
"volume_molar": 17.069296440856714,
"formula_full": "Tb1 Hg2",
"formula_reduced": "TbHg2",
"formula_anonymous": "AB2",
"energy": -5.43693113,
"energy_per_atom": -1.8123103766666666,
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"is_stable": null,
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:39:17.549000Z",
"spacegroup": 164
},
{
"id": "mp-11307",
"created_at": "2022-09-04T14:39:37.457003Z",
"structure_string": "Mg2 Cd2\n1.0\n3.255190 0.000000 0.000000\n0.000000 4.976478 0.000000\n0.000000 0.000000 5.345630\nMg Cd\n2 2\ndirect\n0.500000 0.250000 0.316637 Mg\n0.500000 0.750000 0.683363 Mg\n0.000000 0.250000 0.817858 Cd\n0.000000 0.750000 0.182142 Cd\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Mg",
"Cd"
],
"chemical_system": "Cd-Mg",
"density": 5.243256571094555,
"density_atomic": 0.04619156371286203,
"volume": 86.59589930457801,
"volume_molar": 13.037317371273874,
"formula_full": "Mg2 Cd2",
"formula_reduced": "MgCd",
"formula_anonymous": "AB",
"energy": -5.4401513,
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"energy_above_hull": null,
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"updated_at": "2021-11-28T01:34:28.909000Z",
"spacegroup": 51
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{
"id": "mp-1097131",
"created_at": "2022-09-04T14:44:54.369516Z",
"structure_string": "Na1 Cd2 Rh1\n1.0\n-5.667862 5.727693 7.653738\n5.667862 -5.727693 7.653738\n5.667862 5.727693 -7.653738\nNa Cd Rh\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Na\n0.000000 0.268094 0.268094 Cd\n0.000000 0.731906 0.731906 Cd\n0.000000 0.500000 0.500000 Rh\n",
"nsites": 4,
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"elements": [
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"Cd",
"Rh"
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"chemical_system": "Cd-Na-Rh",
"density": 0.5859676847369844,
"density_atomic": 0.004024643424900351,
"volume": 993.876867513807,
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"formula_full": "Na1 Cd2 Rh1",
"formula_reduced": "NaCd2Rh",
"formula_anonymous": "ABC2",
"energy": -5.4410846,
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"updated_at": "2021-11-28T01:36:46.316000Z",
"spacegroup": 71
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{
"id": "mp-22859",
"created_at": "2022-09-04T14:42:00.577617Z",
"structure_string": "Hg2 I2\n1.0\n-2.595266 2.595266 5.904167\n2.595266 -2.595266 5.904167\n2.595266 2.595266 -5.904167\nHg I\n2 2\ndirect\n0.887046 0.887046 0.000000 Hg\n0.112954 0.112954 0.000000 Hg\n0.652519 0.652519 0.000000 I\n0.347481 0.347481 0.000000 I\n",
"nsites": 4,
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"elements": [
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"density": 6.8375526799081765,
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"volume": 159.06783815456168,
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"formula_full": "Hg2 I2",
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"updated_at": "2021-11-28T01:35:36.923000Z",
"spacegroup": 139
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{
"id": "mp-1179684",
"created_at": "2022-09-04T14:44:02.345536Z",
"structure_string": "Rb1 S1\n1.0\n6.433489 5.883228 0.000000\n-6.433489 5.883228 0.000000\n0.000000 2.113365 5.992079\nRb S\n1 1\ndirect\n0.000000 0.000000 0.000000 Rb\n0.000000 0.000000 0.500000 S\n",
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"spacegroup": 12
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{
"id": "mp-1096118",
"created_at": "2022-09-04T14:41:55.351957Z",
"structure_string": "Sc1 Cd2 Ag1\n1.0\n-5.803700 6.042112 8.504609\n5.803700 -6.042112 8.504609\n5.803700 6.042112 -8.504609\nSc Cd Ag\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Sc\n0.000000 0.261758 0.261758 Cd\n0.000000 0.738242 0.738242 Cd\n0.000000 0.500000 0.500000 Ag\n",
"nsites": 4,
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"formula_full": "Sc1 Cd2 Ag1",
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"updated_at": "2021-11-28T01:35:27.394000Z",
"spacegroup": 71
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]
}