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{
"id": "mp-1096555",
"created_at": "2022-09-04T14:45:19.633861Z",
"structure_string": "Ba2 Cd1 Ga1\n1.0\n-6.975542 6.977127 9.839568\n6.975542 -6.977127 9.839568\n6.975542 6.977127 -9.839568\nBa Cd Ga\n2 1 1\ndirect\n0.000000 0.229714 0.229714 Ba\n0.000000 0.770286 0.770286 Ba\n0.000000 0.500000 0.500000 Cd\n0.000000 0.000000 0.000000 Ga\n",
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{
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"updated_at": "2021-11-28T01:36:06.637000Z",
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},
{
"id": "mp-1093909",
"created_at": "2022-09-04T14:40:55.988763Z",
"structure_string": "Sr1 Ca1 Mg2\n1.0\n-6.744167 7.470960 9.536885\n6.744167 -7.470960 9.536885\n6.744167 7.470960 -9.536885\nSr Ca Mg\n1 1 2\ndirect\n0.500000 0.000000 0.500000 Sr\n0.000000 0.000000 0.000000 Ca\n0.753724 0.000000 0.753724 Mg\n0.246276 0.000000 0.246276 Mg\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Ca-Mg-Sr",
"density": 0.1523175173025896,
"density_atomic": 0.0020810797688747456,
"volume": 1922.0791340270575,
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"formula_full": "Sr1 Ca1 Mg2",
"formula_reduced": "SrCaMg2",
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"energy_uncorrected": -1.16138882,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:00.038000Z",
"spacegroup": 71
},
{
"id": "mp-1097520",
"created_at": "2022-09-04T14:47:17.645725Z",
"structure_string": "Ba1 Li2 Ca1\n1.0\n-6.840243 7.282377 9.661468\n6.840243 -7.282377 9.661468\n6.840243 7.282377 -9.661468\nBa Li Ca\n1 2 1\ndirect\n0.500000 0.000000 0.500000 Ba\n0.236024 0.000000 0.236024 Li\n0.763976 0.000000 0.763976 Li\n0.000000 0.000000 0.000000 Ca\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Ba-Ca-Li",
"density": 0.16500106752056115,
"density_atomic": 0.0020778404272166345,
"volume": 1925.0756446962528,
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"formula_full": "Ba1 Li2 Ca1",
"formula_reduced": "BaLi2Ca",
"formula_anonymous": "ABC2",
"energy": -2.67757931,
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"energy_uncorrected": -2.67757931,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:38:03.686000Z",
"spacegroup": 71
},
{
"id": "mp-1093940",
"created_at": "2022-09-04T14:40:28.001532Z",
"structure_string": "Ba1 Ca1 Cd2\n1.0\n-6.957490 7.029899 9.855929\n6.957490 -7.029899 9.855929\n6.957490 7.029899 -9.855929\nBa Ca Cd\n1 1 2\ndirect\n0.500000 0.000000 0.500000 Ba\n0.000000 0.000000 0.000000 Ca\n0.240494 0.000000 0.240494 Cd\n0.759506 0.000000 0.759506 Cd\n",
"nsites": 4,
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"volume": 1928.2317688237722,
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"formula_full": "Ba1 Ca1 Cd2",
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"is_theoretical": true,
"updated_at": "2021-11-28T01:34:58.979000Z",
"spacegroup": 71
},
{
"id": "mp-1211445",
"created_at": "2022-09-04T14:39:14.495253Z",
"structure_string": "Mg2 Mn1 Ge2\n1.0\n9.075829 0.000000 0.000000\n0.000000 9.075829 0.000000\n0.000000 0.000000 29.264244\nMg Mn Ge\n2 1 2\ndirect\n0.500000 0.500000 0.662860 Mg\n0.500000 0.500000 0.337140 Mg\n0.500000 0.500000 0.000000 Mn\n0.500000 0.500000 0.248878 Ge\n0.500000 0.500000 0.751122 Ge\n",
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"elements": [
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"Mn",
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],
"chemical_system": "Ge-Mg-Mn",
"density": 0.17141092808811237,
"density_atomic": 0.0020742451621672663,
"volume": 2410.5154449417983,
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"formula_full": "Mg2 Mn1 Ge2",
"formula_reduced": "Mg2MnGe2",
"formula_anonymous": "AB2C2",
"energy": -9.24049015,
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"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:34:31.155000Z",
"spacegroup": 123
},
{
"id": "mp-1207281",
"created_at": "2022-09-04T14:45:53.069368Z",
"structure_string": "Na1 Sm3 S6\n1.0\n6.617005 -8.156379 0.000000\n6.617005 8.156379 0.000000\n0.000000 0.000000 44.776019\nNa Sm S\n1 3 6\ndirect\n0.000000 0.000000 0.000000 Na\n0.000000 0.000000 0.500000 Sm\n0.500000 0.000000 0.000000 Sm\n0.000000 0.500000 0.000000 Sm\n0.000000 0.000000 0.231201 S\n0.000000 0.000000 0.768799 S\n0.259193 0.972949 0.000000 S\n0.740807 0.027051 0.000000 S\n0.972949 0.259193 0.000000 S\n0.027051 0.740807 0.000000 S\n",
"nsites": 10,
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"elements": [
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"Sm",
"S"
],
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"density": 0.22897533413322393,
"density_atomic": 0.002069024653482881,
"volume": 4833.19518845102,
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"formula_full": "Na1 Sm3 S6",
"formula_reduced": "Na(SmS2)3",
"formula_anonymous": "AB3C6",
"energy": -32.54047126,
"energy_per_atom": -3.2540471259999997,
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"energy_uncorrected": -29.52247126,
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"updated_at": "2021-11-28T01:37:10.428000Z",
"spacegroup": 65
},
{
"id": "mp-1097672",
"created_at": "2022-09-04T14:46:17.481860Z",
"structure_string": "Cs2 Hg1 Te1\n1.0\n-6.813197 7.486997 9.517215\n6.813197 -7.486997 9.517215\n6.813197 7.486997 -9.517215\nCs Hg Te\n2 1 1\ndirect\n0.220527 0.000000 0.220527 Cs\n0.779473 0.000000 0.779473 Cs\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"
],
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"density": 0.5079345161821781,
"density_atomic": 0.0020598306398527393,
"volume": 1941.9072241230313,
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"formula_full": "Cs2 Hg1 Te1",
"formula_reduced": "Cs2HgTe",
"formula_anonymous": "ABC2",
"energy": -6.20736386,
"energy_per_atom": -1.551840965,
"energy_above_hull": null,
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"energy_uncorrected": -5.78536386,
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"updated_at": "2021-11-28T01:37:30.118000Z",
"spacegroup": 71
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{
"id": "mp-1095977",
"created_at": "2022-09-04T14:45:22.005078Z",
"structure_string": "Ba2 Li1 Cd1\n1.0\n-6.867201 7.239496 9.767377\n6.867201 -7.239496 9.767377\n6.867201 7.239496 -9.767377\nBa Li Cd\n2 1 1\ndirect\n0.742678 0.000000 0.742678 Ba\n0.257322 0.000000 0.257322 Ba\n0.000000 0.000000 0.000000 Li\n0.500000 0.000000 0.500000 Cd\n",
"nsites": 4,
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"elements": [
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"Cd"
],
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"density": 0.33684173757418245,
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"volume": 1942.3434880326008,
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"formula_full": "Ba2 Li1 Cd1",
"formula_reduced": "Ba2LiCd",
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"updated_at": "2021-11-28T01:37:05.828000Z",
"spacegroup": 71
},
{
"id": "mp-1096746",
"created_at": "2022-09-04T14:43:41.609278Z",
"structure_string": "Li2 Sc1 Tl1\n1.0\n-6.561858 7.275677 10.214323\n6.561858 -7.275677 10.214323\n6.561858 7.275677 -10.214323\nLi Sc Tl\n2 1 1\ndirect\n0.000000 0.258233 0.258233 Li\n0.000000 0.741767 0.741767 Li\n0.000000 0.000000 0.000000 Sc\n0.000000 0.500000 0.500000 Tl\n",
"nsites": 4,
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"elements": [
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"formula_full": "Li2 Sc1 Tl1",
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"formula_anonymous": "ABC2",
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"updated_at": "2021-11-28T01:36:13.798000Z",
"spacegroup": 71
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{
"id": "mp-1093931",
"created_at": "2022-09-04T14:41:00.215002Z",
"structure_string": "Ba2 Cd1 Ag1\n1.0\n-6.961103 7.128764 9.828739\n6.961103 -7.128764 9.828739\n6.961103 7.128764 -9.828739\nBa Cd Ag\n2 1 1\ndirect\n0.766302 0.000000 0.766302 Ba\n0.233698 0.000000 0.233698 Ba\n0.500000 0.000000 0.500000 Cd\n0.000000 0.000000 0.000000 Ag\n",
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"volume": 1950.9677537893353,
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"updated_at": "2021-11-28T01:35:11.348000Z",
"spacegroup": 71
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{
"id": "mp-1207325",
"created_at": "2022-09-04T14:43:18.321111Z",
"structure_string": "Yb2 S2 Br2\n1.0\n10.886035 0.000000 0.000000\n0.000000 13.595534 0.000000\n0.000000 0.000000 19.805232\nYb S Br\n2 2 2\ndirect\n0.500000 0.500000 0.174426 Yb\n0.500000 0.500000 0.825574 Yb\n0.500000 0.500000 0.051259 S\n0.500000 0.500000 0.948741 S\n0.500000 0.500000 0.693438 Br\n0.500000 0.500000 0.306562 Br\n",
"nsites": 6,
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"elements": [
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],
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"density": 0.32291761539842817,
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"volume": 2931.2032311935814,
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"formula_full": "Yb2 S2 Br2",
"formula_reduced": "YbSBr",
"formula_anonymous": "ABC",
"energy": -20.65410792,
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"updated_at": "2021-11-28T01:36:07.404000Z",
"spacegroup": 47
}
]
}