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{
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{
"id": "mp-1097426",
"created_at": "2022-09-04T14:47:57.086679Z",
"structure_string": "Ca2 Hg1 Pd1\n1.0\n-5.913170 6.169882 8.703055\n5.913170 -6.169882 8.703055\n5.913170 6.169882 -8.703055\nCa Hg Pd\n2 1 1\ndirect\n0.000000 0.217905 0.217905 Ca\n0.000000 0.782095 0.782095 Ca\n0.000000 0.500000 0.500000 Hg\n0.000000 0.000000 0.000000 Pd\n",
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{
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"nsites": 4,
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"chemical_system": "Au-Hg-Y",
"density": 0.7521637215825507,
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"updated_at": "2021-11-28T01:37:06.288000Z",
"spacegroup": 71
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{
"id": "mp-1096226",
"created_at": "2022-09-04T14:48:15.244882Z",
"structure_string": "Y2 Tc1 Pb1\n1.0\n-5.365884 6.620599 8.942662\n5.365884 -6.620599 8.942662\n5.365884 6.620599 -8.942662\nY Tc Pb\n2 1 1\ndirect\n0.000000 0.223263 0.223263 Y\n0.000000 0.776737 0.776737 Y\n0.000000 0.000000 0.000000 Tc\n0.000000 0.500000 0.500000 Pb\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Pb-Tc-Y",
"density": 0.6311627746366772,
"density_atomic": 0.003147709318550881,
"volume": 1270.7653710036639,
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"formula_full": "Y2 Tc1 Pb1",
"formula_reduced": "Y2TcPb",
"formula_anonymous": "ABC2",
"energy": -17.41355211,
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"energy_uncorrected": -17.41355211,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:38:41.773000Z",
"spacegroup": 71
},
{
"id": "mp-1097474",
"created_at": "2022-09-04T14:48:09.542143Z",
"structure_string": "Na1 Cd2 Pd1\n1.0\n-5.672306 6.303934 8.884941\n5.672306 -6.303934 8.884941\n5.672306 6.303934 -8.884941\nNa Cd Pd\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Na\n0.000000 0.269339 0.269339 Cd\n0.000000 0.730661 0.730661 Cd\n0.000000 0.500000 0.500000 Pd\n",
"nsites": 4,
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"elements": [
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"Cd",
"Pd"
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"chemical_system": "Cd-Na-Pd",
"density": 0.4628611789633185,
"density_atomic": 0.0031475609075781496,
"volume": 1270.8252889942482,
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"formula_full": "Na1 Cd2 Pd1",
"formula_reduced": "NaCd2Pd",
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"energy_uncorrected": -5.00708211,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:38:29.735000Z",
"spacegroup": 71
},
{
"id": "mp-1097291",
"created_at": "2022-09-04T14:44:03.888026Z",
"structure_string": "Y2 Ga1 Hg1\n1.0\n-5.931153 6.156468 8.705019\n5.931153 -6.156468 8.705019\n5.931153 6.156468 -8.705019\nY Ga Hg\n2 1 1\ndirect\n0.000000 0.230030 0.230030 Y\n0.000000 0.769970 0.769970 Y\n0.000000 0.000000 0.000000 Ga\n0.000000 0.500000 0.500000 Hg\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Ga-Hg-Y",
"density": 0.5852582055088911,
"density_atomic": 0.003146005828946759,
"volume": 1271.4534611460485,
"volume_molar": 191.4217928202674,
"formula_full": "Y2 Ga1 Hg1",
"formula_reduced": "Y2GaHg",
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"energy": -8.85772533,
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"energy_above_hull": null,
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"energy_uncorrected": -8.85772533,
"band_gap": 0.1316000000000001,
"is_gap_direct": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:36:24.936000Z",
"spacegroup": 71
},
{
"id": "mp-1093819",
"created_at": "2022-09-04T14:43:13.989575Z",
"structure_string": "Li1 Sc1 Cd2\n1.0\n-5.902189 6.108814 8.829955\n5.902189 -6.108814 8.829955\n5.902189 6.108814 -8.829955\nLi Sc Cd\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.500000 Sc\n0.000000 0.237462 0.237462 Cd\n0.000000 0.762538 0.762538 Cd\n",
"nsites": 4,
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"elements": [
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"Sc",
"Cd"
],
"chemical_system": "Cd-Li-Sc",
"density": 0.36082734512179976,
"density_atomic": 0.0031410257396957443,
"volume": 1273.4693477511778,
"volume_molar": 191.72529164257458,
"formula_full": "Li1 Sc1 Cd2",
"formula_reduced": "LiScCd2",
"formula_anonymous": "ABC2",
"energy": -4.68509104,
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"formation_energy": null,
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"energy_uncorrected": -4.68509104,
"band_gap": 0.0509999999999997,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:36:18.501000Z",
"spacegroup": 71
},
{
"id": "mp-1097229",
"created_at": "2022-09-04T14:39:07.267290Z",
"structure_string": "Na1 In2 Bi1\n1.0\n-5.821235 6.230850 8.784592\n5.821235 -6.230850 8.784592\n5.821235 6.230850 -8.784592\nNa In Bi\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Na\n0.000000 0.265912 0.265912 In\n0.000000 0.734088 0.734088 In\n0.000000 0.500000 0.500000 Bi\n",
"nsites": 4,
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"elements": [
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"In",
"Bi"
],
"chemical_system": "Bi-In-Na",
"density": 0.6014183667817179,
"density_atomic": 0.0031384555083478704,
"volume": 1274.5122527181084,
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"formula_full": "Na1 In2 Bi1",
"formula_reduced": "NaIn2Bi",
"formula_anonymous": "ABC2",
"energy": -7.86231505,
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"energy_above_hull": null,
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"energy_uncorrected": -7.86231505,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:34:26.987000Z",
"spacegroup": 71
},
{
"id": "mp-1096291",
"created_at": "2022-09-04T14:42:08.095426Z",
"structure_string": "Sc2 Tl1 Au1\n1.0\n-5.584962 6.442524 8.859649\n5.584962 -6.442524 8.859649\n5.584962 6.442524 -8.859649\nSc Tl Au\n2 1 1\ndirect\n0.000000 0.238673 0.238673 Sc\n0.000000 0.761327 0.761327 Sc\n0.000000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Au\n",
"nsites": 4,
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"elements": [
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"Tl",
"Au"
],
"chemical_system": "Au-Sc-Tl",
"density": 0.639748421033197,
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"volume": 1275.125043424258,
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"formula_full": "Sc2 Tl1 Au1",
"formula_reduced": "Sc2TlAu",
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:32.957000Z",
"spacegroup": 71
},
{
"id": "mp-1093809",
"created_at": "2022-09-04T14:48:23.004610Z",
"structure_string": "Na1 Hg2 Pb1\n1.0\n-5.987376 6.065027 8.784337\n5.987376 -6.065027 8.784337\n5.987376 6.065027 -8.784337\nNa Hg Pb\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Na\n0.000000 0.249769 0.249769 Hg\n0.000000 0.750231 0.750231 Hg\n0.000000 0.500000 0.500000 Pb\n",
"nsites": 4,
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"elements": [
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"Hg",
"Pb"
],
"chemical_system": "Hg-Na-Pb",
"density": 0.8216647017492857,
"density_atomic": 0.0031348859156246247,
"volume": 1275.9634984046945,
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"formula_full": "Na1 Hg2 Pb1",
"formula_reduced": "NaHg2Pb",
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"updated_at": "2021-11-28T01:39:11.197000Z",
"spacegroup": 71
},
{
"id": "mp-1093963",
"created_at": "2022-09-04T14:48:24.083077Z",
"structure_string": "Na2 Hg1 Sb1\n1.0\n-6.068814 6.096222 8.622665\n6.068814 -6.096222 8.622665\n6.068814 6.096222 -8.622665\nNa Hg Sb\n2 1 1\ndirect\n0.240799 0.000000 0.240799 Na\n0.759201 0.000000 0.759201 Na\n0.500000 0.000000 0.500000 Hg\n0.000000 0.000000 0.000000 Sb\n",
"nsites": 4,
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"elements": [
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"density": 0.47931336663680835,
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"volume": 1276.0453405529165,
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"formula_full": "Na2 Hg1 Sb1",
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"updated_at": "2021-11-28T01:39:43.596000Z",
"spacegroup": 71
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{
"id": "mp-1093662",
"created_at": "2022-09-04T14:42:46.384672Z",
"structure_string": "Ca1 Mg1 Ag2\n1.0\n-5.738357 6.274529 8.865973\n5.738357 -6.274529 8.865973\n5.738357 6.274529 -8.865973\nCa Mg Ag\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Ca\n0.000000 0.000000 0.000000 Mg\n0.000000 0.248258 0.248258 Ag\n0.000000 0.751742 0.751742 Ag\n",
"nsites": 4,
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"volume": 1276.8947168749228,
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"formula_full": "Ca1 Mg1 Ag2",
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"total_magnetization": 4.66e-05,
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"updated_at": "2021-11-28T01:35:49.552000Z",
"spacegroup": 71
},
{
"id": "mp-1097115",
"created_at": "2022-09-04T14:48:11.979953Z",
"structure_string": "Tl1 Cd2 Bi1\n1.0\n-5.942277 6.270203 8.572607\n5.942277 -6.270203 8.572607\n5.942277 6.270203 -8.572607\nTl Cd Bi\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Tl\n0.000000 0.259086 0.259086 Cd\n0.000000 0.740914 0.740914 Cd\n0.000000 0.500000 0.500000 Bi\n",
"nsites": 4,
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"elements": [
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"density": 0.8294472395079255,
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"volume": 1277.6367635199558,
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"formula_full": "Tl1 Cd2 Bi1",
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"formula_anonymous": "ABC2",
"energy": -4.40246687,
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:38:34.501000Z",
"spacegroup": 71
}
]
}