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{
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"results": [
{
"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",
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{
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"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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{
"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,
"nelements": 3,
"elements": [
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"chemical_system": "Hg-In-Pb",
"density": 1.0203740094064706,
"density_atomic": 0.003367919186753148,
"volume": 1187.6769536908666,
"volume_molar": 178.80894481336003,
"formula_full": "In1 Hg1 Pb2",
"formula_reduced": "InHgPb2",
"formula_anonymous": "ABC2",
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"updated_at": "2021-11-28T01:35:13.369000Z",
"spacegroup": 71
},
{
"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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"In"
],
"chemical_system": "Cd-In-La",
"density": 0.5953840911189814,
"density_atomic": 0.002839764953419121,
"volume": 1408.56728131106,
"volume_molar": 212.06476094964304,
"formula_full": "La2 Cd1 In1",
"formula_reduced": "La2CdIn",
"formula_anonymous": "ABC2",
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"updated_at": "2021-11-28T01:35:59.310000Z",
"spacegroup": 71
},
{
"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,
"nelements": 2,
"elements": [
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"chemical_system": "Cd-Te",
"density": 7.3703115655310265,
"density_atomic": 0.03819440849339211,
"volume": 104.72737130336832,
"volume_molar": 15.767074285341714,
"formula_full": "Cd3 Te1",
"formula_reduced": "Cd3Te",
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"energy": -6.01304471,
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"updated_at": "2021-11-28T01:35:00.652000Z",
"spacegroup": 139
},
{
"id": "mp-1063156",
"created_at": "2022-09-04T14:40:01.995610Z",
"structure_string": "Er1 Cd2\n1.0\n2.727049 -4.723387 0.000000\n2.727049 4.723387 0.000000\n0.000000 0.000000 3.214480\nEr Cd\n1 2\ndirect\n0.000000 0.000000 0.000000 Er\n0.666667 0.333333 0.957007 Cd\n0.333333 0.666667 0.042993 Cd\n",
"nsites": 3,
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"elements": [
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"Cd"
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"chemical_system": "Cd-Er",
"density": 7.862084361013187,
"density_atomic": 0.03622714085001163,
"volume": 82.81084097750532,
"volume_molar": 16.6232846940171,
"formula_full": "Er1 Cd2",
"formula_reduced": "ErCd2",
"formula_anonymous": "AB2",
"energy": -6.01607589,
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:34:52.495000Z",
"spacegroup": 164
},
{
"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",
"nsites": 4,
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"elements": [
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"Hg",
"Te"
],
"chemical_system": "Hg-Rb-Te",
"density": 0.4826304389108661,
"density_atomic": 0.0023292481404970857,
"volume": 1717.2923444499816,
"volume_molar": 258.54440560870484,
"formula_full": "Rb2 Hg1 Te1",
"formula_reduced": "Rb2HgTe",
"formula_anonymous": "ABC2",
"energy": -6.01741029,
"energy_per_atom": -1.5043525725,
"energy_above_hull": null,
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"energy_uncorrected": -5.59541029,
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"total_magnetization": 1.46e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:34.498000Z",
"spacegroup": 71
},
{
"id": "mp-1186152",
"created_at": "2022-09-04T14:42:02.185369Z",
"structure_string": "Na2 Hg6\n1.0\n3.336647 -5.779242 0.000000\n3.336647 5.779242 0.000000\n0.000000 0.000000 5.508011\nNa Hg\n2 6\ndirect\n0.666667 0.333333 0.250000 Na\n0.333333 0.666667 0.750000 Na\n0.832808 0.167192 0.750000 Hg\n0.334384 0.167192 0.750000 Hg\n0.832808 0.665616 0.750000 Hg\n0.167192 0.832808 0.250000 Hg\n0.665616 0.832808 0.250000 Hg\n0.167192 0.334384 0.250000 Hg\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Na",
"Hg"
],
"chemical_system": "Hg-Na",
"density": 9.767562772067706,
"density_atomic": 0.037660323732844454,
"volume": 212.42515217740976,
"volume_molar": 15.990677092209776,
"formula_full": "Na2 Hg6",
"formula_reduced": "NaHg3",
"formula_anonymous": "AB3",
"energy": -6.01804276,
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"updated_at": "2021-11-28T01:35:28.572000Z",
"spacegroup": 194
},
{
"id": "mp-1094464",
"created_at": "2022-09-04T14:41:03.805363Z",
"structure_string": "Mg3 Zn1\n1.0\n0.000000 3.433711 3.433711\n3.433711 0.000000 3.433711\n3.433711 3.433711 0.000000\nMg Zn\n3 1\ndirect\n0.500000 0.500000 0.500000 Mg\n0.250000 0.250000 0.250000 Mg\n0.750000 0.750000 0.750000 Mg\n0.000000 0.000000 0.000000 Zn\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Mg-Zn",
"density": 2.8367784674171275,
"density_atomic": 0.04940134536776466,
"volume": 80.96945478351442,
"volume_molar": 12.190236349169478,
"formula_full": "Mg3 Zn1",
"formula_reduced": "Mg3Zn",
"formula_anonymous": "AB3",
"energy": -6.02094145,
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"energy_above_hull": null,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:12.802000Z",
"spacegroup": 225
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{
"id": "mp-10021",
"created_at": "2022-09-04T14:39:08.011484Z",
"structure_string": "Ga2\n1.0\n1.376794 -4.448811 0.000000\n1.376794 4.448811 0.000000\n0.000000 0.000000 3.102618\nGa\n2\ndirect\n0.868285 0.131715 0.250000 Ga\n0.131715 0.868285 0.750000 Ga\n",
"nsites": 2,
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"elements": [
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"density": 6.09233722507633,
"density_atomic": 0.05262096057180036,
"volume": 38.00766801417537,
"volume_molar": 11.444376337035688,
"formula_full": "Ga2",
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"energy": -6.02177077,
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"updated_at": "2021-11-28T01:34:29.269000Z",
"spacegroup": 63
},
{
"id": "mp-11467",
"created_at": "2022-09-04T14:44:53.592984Z",
"structure_string": "Nd1 Hg1\n1.0\n3.843222 0.000000 0.000000\n0.000000 3.843222 0.000000\n0.000000 0.000000 3.843222\nNd Hg\n1 1\ndirect\n0.500000 0.500000 0.500000 Nd\n0.000000 0.000000 0.000000 Hg\n",
"nsites": 2,
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"elements": [
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"density": 10.087190974464859,
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"volume": 56.76575459544017,
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"formula_full": "Nd1 Hg1",
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"energy": -6.02283957,
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"updated_at": "2021-11-28T01:36:46.481000Z",
"spacegroup": 221
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{
"id": "mp-1185367",
"created_at": "2022-09-04T14:39:20.320369Z",
"structure_string": "Li1 In1 Hg2\n1.0\n0.000000 3.591526 3.591526\n3.591526 0.000000 3.591526\n3.591526 3.591526 0.000000\nLi In Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.500000 In\n0.250000 0.250000 0.250000 Hg\n0.750000 0.750000 0.750000 Hg\n",
"nsites": 4,
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"elements": [
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"density": 9.372017472807356,
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"volume": 92.65461161038816,
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"formula_full": "Li1 In1 Hg2",
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"updated_at": "2021-11-28T01:34:41.098000Z",
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}
]
}