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{
"id": "mp-1096184",
"created_at": "2022-09-04T14:42:06.741053Z",
"structure_string": "Rb2 Hg1 Te1\n1.0\n-6.598444 7.097084 9.167750\n6.598444 -7.097084 9.167750\n6.598444 7.097084 -9.167750\nRb Hg Te\n2 1 1\ndirect\n0.776602 0.000000 0.776602 Rb\n0.223398 0.000000 0.223398 Rb\n0.500000 0.000000 0.500000 Hg\n0.000000 0.000000 0.000000 Te\n",
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"elements": [
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"spacegroup": 164
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{
"id": "mp-1183651",
"created_at": "2022-09-04T14:41:06.561950Z",
"structure_string": "Cd3 Te1\n1.0\n-2.262634 2.262634 5.114128\n2.262634 -2.262634 5.114128\n2.262634 2.262634 -5.114128\nCd Te\n3 1\ndirect\n0.750000 0.250000 0.500000 Cd\n0.250000 0.750000 0.500000 Cd\n0.500000 0.500000 0.000000 Cd\n0.000000 0.000000 0.000000 Te\n",
"nsites": 4,
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"density": 7.3703115655310265,
"density_atomic": 0.03819440849339211,
"volume": 104.72737130336832,
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"formula_full": "Cd3 Te1",
"formula_reduced": "Cd3Te",
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"updated_at": "2021-11-28T01:35:00.652000Z",
"spacegroup": 139
},
{
"id": "mp-1096628",
"created_at": "2022-09-04T14:42:58.223099Z",
"structure_string": "La2 Cd1 In1\n1.0\n-6.118341 6.359202 9.050682\n6.118341 -6.359202 9.050682\n6.118341 6.359202 -9.050682\nLa Cd In\n2 1 1\ndirect\n0.000000 0.256760 0.256760 La\n0.000000 0.743240 0.743240 La\n0.000000 0.000000 0.000000 Cd\n0.000000 0.500000 0.500000 In\n",
"nsites": 4,
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"elements": [
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"density": 0.5953840911189814,
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"volume": 1408.56728131106,
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"formula_full": "La2 Cd1 In1",
"formula_reduced": "La2CdIn",
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"updated_at": "2021-11-28T01:35:59.310000Z",
"spacegroup": 71
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{
"id": "mp-1095725",
"created_at": "2022-09-04T14:41:07.364724Z",
"structure_string": "In1 Hg1 Pb2\n1.0\n-5.736310 6.043410 8.564927\n5.736310 -6.043410 8.564927\n5.736310 6.043410 -8.564927\nIn Hg Pb\n1 1 2\ndirect\n0.000000 0.000000 0.000000 In\n0.000000 0.500000 0.500000 Hg\n0.000000 0.244667 0.244667 Pb\n0.000000 0.755333 0.755333 Pb\n",
"nsites": 4,
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"elements": [
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"density": 1.0203740094064706,
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"volume": 1187.6769536908666,
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"formula_full": "In1 Hg1 Pb2",
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"updated_at": "2021-11-28T01:35:13.369000Z",
"spacegroup": 71
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{
"id": "mp-1021516",
"created_at": "2022-09-04T14:41:13.430255Z",
"structure_string": "K2 Sn1\n1.0\n0.000000 4.322994 4.322994\n4.322994 0.000000 4.322994\n4.322994 4.322994 0.000000\nK Sn\n2 1\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.750000 K\n0.000000 0.000000 0.000000 Sn\n",
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"elements": [
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"chemical_system": "K-Sn",
"density": 2.0236037556638427,
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"volume": 161.5786197550897,
"volume_molar": 32.43497306572223,
"formula_full": "K2 Sn1",
"formula_reduced": "K2Sn",
"formula_anonymous": "AB2",
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"updated_at": "2021-11-28T01:35:15.752000Z",
"spacegroup": 225
},
{
"id": "mp-1187138",
"created_at": "2022-09-04T14:41:04.500874Z",
"structure_string": "Sr3 Zn1\n1.0\n5.479942 0.000000 0.000000\n0.000000 5.479942 0.000000\n0.000000 0.000000 5.479942\nSr Zn\n3 1\ndirect\n0.500000 0.000000 0.500000 Sr\n0.500000 0.500000 0.000000 Sr\n0.000000 0.500000 0.500000 Sr\n0.000000 0.000000 0.000000 Zn\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Sr-Zn",
"density": 3.3124633658993146,
"density_atomic": 0.02430704167458115,
"volume": 164.56136676570398,
"volume_molar": 24.775292858026383,
"formula_full": "Sr3 Zn1",
"formula_reduced": "Sr3Zn",
"formula_anonymous": "AB3",
"energy": -6.00165737,
"energy_per_atom": -1.5004143425,
"energy_above_hull": null,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:02.026000Z",
"spacegroup": 221
},
{
"id": "mp-1183948",
"created_at": "2022-09-04T14:48:12.075617Z",
"structure_string": "Cs1 Ba3\n1.0\n0.000000 5.221284 5.221284\n5.221284 0.000000 5.221284\n5.221284 5.221284 0.000000\nCs Ba\n1 3\ndirect\n0.000000 0.000000 0.000000 Cs\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Ba\n0.500000 0.500000 0.500000 Ba\n",
"nsites": 4,
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"elements": [
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"Ba"
],
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"density": 3.1782873732697547,
"density_atomic": 0.014050702767473623,
"volume": 284.68326931373963,
"volume_molar": 42.86006799560822,
"formula_full": "Cs1 Ba3",
"formula_reduced": "CsBa3",
"formula_anonymous": "AB3",
"energy": -6.00099648,
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"energy_above_hull": null,
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"updated_at": "2021-11-28T01:38:47.685000Z",
"spacegroup": 225
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{
"id": "mp-1097470",
"created_at": "2022-09-04T14:42:05.424395Z",
"structure_string": "Li1 La1 Tl2\n1.0\n-5.946364 6.769157 9.519408\n5.946364 -6.769157 9.519408\n5.946364 6.769157 -9.519408\nLi La Tl\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.500000 La\n0.000000 0.233983 0.233983 Tl\n0.000000 0.766017 0.766017 Tl\n",
"nsites": 4,
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"elements": [
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"density": 0.6008736889529516,
"density_atomic": 0.0026097804980366756,
"volume": 1532.6959501035353,
"volume_molar": 230.75276884513565,
"formula_full": "Li1 La1 Tl2",
"formula_reduced": "LiLaTl2",
"formula_anonymous": "ABC2",
"energy": -6.00063972,
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"updated_at": "2021-11-28T01:35:35.110000Z",
"spacegroup": 71
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{
"id": "mp-1059621",
"created_at": "2022-09-04T14:44:05.426652Z",
"structure_string": "K1 Se1\n1.0\n0.000000 3.372713 3.372713\n3.372713 0.000000 3.372713\n3.372713 3.372713 0.000000\nK Se\n1 1\ndirect\n0.000000 0.000000 0.000000 K\n0.500000 0.500000 0.500000 Se\n",
"nsites": 2,
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"volume": 76.73052248479854,
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"formula_full": "K1 Se1",
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"energy": -5.999219930000001,
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{
"id": "mp-1093569",
"created_at": "2022-09-04T14:46:34.559847Z",
"structure_string": "Li2 Zn1 Pd1\n1.0\n-4.905398 5.108005 6.847493\n4.905398 -5.108005 6.847493\n4.905398 5.108005 -6.847493\nLi Zn Pd\n2 1 1\ndirect\n0.726792 0.000000 0.726792 Li\n0.273208 0.000000 0.273208 Li\n0.000000 0.000000 0.000000 Zn\n0.500000 0.000000 0.500000 Pd\n",
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"volume": 686.3049822356859,
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"formula_full": "Li2 Zn1 Pd1",
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{
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"created_at": "2022-09-04T14:41:35.911351Z",
"structure_string": "K1 I1\n1.0\n0.000000 3.592672 3.592672\n3.592672 0.000000 3.592672\n3.592672 3.592672 0.000000\nK I\n1 1\ndirect\n0.000000 0.000000 0.000000 K\n0.500000 0.500000 0.500000 I\n",
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}