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{
"id": "mp-1093773",
"created_at": "2022-09-04T14:45:59.780638Z",
"structure_string": "Sc2 Be1 Os1\n1.0\n-5.041607 5.541964 7.659369\n5.041607 -5.541964 7.659369\n5.041607 5.541964 -7.659369\nSc Be Os\n2 1 1\ndirect\n0.000000 0.277960 0.277960 Sc\n0.000000 0.722040 0.722040 Sc\n0.000000 0.000000 0.000000 Be\n0.000000 0.500000 0.500000 Os\n",
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{
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"spacegroup": 71
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{
"id": "mp-1097325",
"created_at": "2022-09-04T14:39:37.172152Z",
"structure_string": "Sc2 Al1 Pt1\n1.0\n-5.205466 5.595926 7.936585\n5.205466 -5.595926 7.936585\n5.205466 5.595926 -7.936585\nSc Al Pt\n2 1 1\ndirect\n0.000000 0.269326 0.269326 Sc\n0.000000 0.730674 0.730674 Sc\n0.000000 0.000000 0.000000 Al\n0.000000 0.500000 0.500000 Pt\n",
"nsites": 4,
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"density": 0.5602049469720175,
"density_atomic": 0.0043254844110021725,
"volume": 924.7519167623677,
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"formula_full": "Sc2 Al1 Pt1",
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"formula_anonymous": "ABC2",
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:34:35.106000Z",
"spacegroup": 71
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{
"id": "mp-1097111",
"created_at": "2022-09-04T14:46:05.077376Z",
"structure_string": "Na1 Y1 Tl2\n1.0\n-6.250238 6.610890 9.348702\n6.250238 -6.610890 9.348702\n6.250238 6.610890 -9.348702\nNa Y Tl\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Na\n0.000000 0.500000 0.500000 Y\n0.000000 0.251198 0.251198 Tl\n0.000000 0.748802 0.748802 Tl\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Na-Tl-Y",
"density": 0.5595480274273745,
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"volume": 1545.1398508045177,
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"formula_full": "Na1 Y1 Tl2",
"formula_reduced": "NaYTl2",
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"updated_at": "2021-11-28T01:37:20.022000Z",
"spacegroup": 71
},
{
"id": "mp-1097268",
"created_at": "2022-09-04T14:41:04.802286Z",
"structure_string": "Mg2 Sn1 Hg1\n1.0\n-5.540010 5.906590 8.352382\n5.540010 -5.906590 8.352382\n5.540010 5.906590 -8.352382\nMg Sn Hg\n2 1 1\ndirect\n0.000000 0.249471 0.249471 Mg\n0.000000 0.750529 0.750529 Mg\n0.000000 0.000000 0.000000 Sn\n0.000000 0.500000 0.500000 Hg\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Hg-Mg-Sn",
"density": 0.5588213308610923,
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"volume": 1093.2455406657805,
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"formula_full": "Mg2 Sn1 Hg1",
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"band_gap": 0.4011,
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"updated_at": "2021-11-28T01:35:08.701000Z",
"spacegroup": 71
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{
"id": "mp-1096502",
"created_at": "2022-09-04T14:42:05.326170Z",
"structure_string": "Ba2 Hg1 Sb1\n1.0\n-6.800591 6.867817 9.496631\n6.800591 -6.867817 9.496631\n6.800591 6.867817 -9.496631\nBa Hg Sb\n2 1 1\ndirect\n0.224088 0.000000 0.224088 Ba\n0.775912 0.000000 0.775912 Ba\n0.500000 0.000000 0.500000 Hg\n0.000000 0.000000 0.000000 Sb\n",
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"elements": [
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"Hg",
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"density": 0.5587678536721203,
"density_atomic": 0.002254576966411921,
"volume": 1774.1687507638553,
"volume_molar": 267.1073487273324,
"formula_full": "Ba2 Hg1 Sb1",
"formula_reduced": "Ba2HgSb",
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"energy": -6.4025225,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:32.285000Z",
"spacegroup": 71
},
{
"id": "mp-1093720",
"created_at": "2022-09-04T14:40:32.638787Z",
"structure_string": "Al2 Tc1 Rh1\n1.0\n-4.828817 5.276156 7.432404\n4.828817 -5.276156 7.432404\n4.828817 5.276156 -7.432404\nAl Tc Rh\n2 1 1\ndirect\n0.000000 0.253024 0.253024 Al\n0.000000 0.746976 0.746976 Al\n0.000000 0.000000 0.000000 Tc\n0.000000 0.500000 0.500000 Rh\n",
"nsites": 4,
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"elements": [
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"Tc",
"Rh"
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"chemical_system": "Al-Rh-Tc",
"density": 0.5587502331743117,
"density_atomic": 0.00528095317514309,
"volume": 757.4390204457017,
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"formula_full": "Al2 Tc1 Rh1",
"formula_reduced": "Al2TcRh",
"formula_anonymous": "ABC2",
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"energy_uncorrected": -15.08549431,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:04.570000Z",
"spacegroup": 71
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{
"id": "mp-1093896",
"created_at": "2022-09-04T14:45:36.250654Z",
"structure_string": "Cs2 Au1 I1\n1.0\n-6.683207 6.934857 9.457862\n6.683207 -6.934857 9.457862\n6.683207 6.934857 -9.457862\nCs Au I\n2 1 1\ndirect\n0.258567 0.000000 0.258567 Cs\n0.741433 0.000000 0.741433 Cs\n0.500000 0.000000 0.500000 Au\n0.000000 0.000000 0.000000 I\n",
"nsites": 4,
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"density": 0.5584593150353568,
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"volume": 1753.377330318132,
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"formula_full": "Cs2 Au1 I1",
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"energy_uncorrected": -8.7454127,
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"updated_at": "2021-11-28T01:37:11.703000Z",
"spacegroup": 71
},
{
"id": "mp-1095930",
"created_at": "2022-09-04T14:44:55.762900Z",
"structure_string": "Al1 Si1 Tc2\n1.0\n-4.836472 5.225035 7.386432\n4.836472 -5.225035 7.386432\n4.836472 5.225035 -7.386432\nAl Si Tc\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Al\n0.000000 0.500000 0.500000 Si\n0.000000 0.263982 0.263982 Tc\n0.000000 0.736018 0.736018 Tc\n",
"nsites": 4,
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"elements": [
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],
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"density": 0.5583753276683325,
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"volume": 746.6422767492103,
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"formula_full": "Al1 Si1 Tc2",
"formula_reduced": "AlSiTc2",
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"updated_at": "2021-11-28T01:36:44.888000Z",
"spacegroup": 71
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{
"id": "mp-1093925",
"created_at": "2022-09-04T14:43:04.691268Z",
"structure_string": "Ba2 P1 Au1\n1.0\n-6.040241 6.620829 9.352943\n6.040241 -6.620829 9.352943\n6.040241 6.620829 -9.352943\nBa P Au\n2 1 1\ndirect\n0.000000 0.230629 0.230629 Ba\n0.000000 0.769371 0.769371 Ba\n0.000000 0.000000 0.000000 P\n0.000000 0.500000 0.500000 Au\n",
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"volume": 1496.1492427576322,
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"updated_at": "2021-11-28T01:35:55.833000Z",
"spacegroup": 71
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{
"id": "mp-1093902",
"created_at": "2022-09-04T14:41:15.179092Z",
"structure_string": "Ba1 Mg1 Tl2\n1.0\n-5.863945 7.165210 10.110837\n5.863945 -7.165210 10.110837\n5.863945 7.165210 -10.110837\nBa Mg Tl\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Ba\n0.000000 0.000000 0.000000 Mg\n0.000000 0.233540 0.233540 Tl\n0.000000 0.766460 0.766460 Tl\n",
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"updated_at": "2021-11-28T01:35:15.741000Z",
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{
"id": "mp-1097462",
"created_at": "2022-09-04T14:43:23.661274Z",
"structure_string": "Mg2 Cu1 Au1\n1.0\n-5.156107 5.618777 7.949932\n5.156107 -5.618777 7.949932\n5.156107 5.618777 -7.949932\nMg Cu Au\n2 1 1\ndirect\n0.000000 0.245385 0.245385 Mg\n0.000000 0.754615 0.754615 Mg\n0.000000 0.000000 0.000000 Cu\n0.000000 0.500000 0.500000 Au\n",
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"volume": 921.2704102760258,
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"formula_full": "Mg2 Cu1 Au1",
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"updated_at": "2021-11-28T01:36:12.980000Z",
"spacegroup": 71
}
]
}