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{
"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",
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{
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{
"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",
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"density": 0.3463866003767523,
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"volume": 1928.2317688237722,
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"formula_full": "Ba1 Ca1 Cd2",
"formula_reduced": "BaCaCd2",
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"energy": -1.48368147,
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{
"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,
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"volume": 1925.0756446962528,
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"formula_full": "Ba1 Li2 Ca1",
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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",
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"volume": 1922.0791340270575,
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{
"id": "mp-1093949",
"created_at": "2022-09-04T14:43:01.651179Z",
"structure_string": "Ba2 Tl1 Ag1\n1.0\n-6.535605 7.203527 10.191483\n6.535605 -7.203527 10.191483\n6.535605 7.203527 -10.191483\nBa Tl Ag\n2 1 1\ndirect\n0.000000 0.245613 0.245613 Ba\n0.000000 0.754387 0.754387 Ba\n0.000000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Ag\n",
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"volume": 1919.2359075761062,
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"formula_full": "Ba2 Tl1 Ag1",
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"updated_at": "2021-11-28T01:36:06.637000Z",
"spacegroup": 71
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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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"density": 0.395979930266193,
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{
"id": "mp-1215087",
"created_at": "2022-09-04T14:45:07.252917Z",
"structure_string": "Ag3 S1 I3\n1.0\n14.136630 0.000000 0.000000\n-4.347368 13.589017 0.000000\n-0.045737 -0.452260 17.406178\nAg S I\n3 1 3\ndirect\n0.884006 0.618646 0.903913 Ag\n0.618375 0.903662 0.884349 Ag\n0.893167 0.871371 0.626191 Ag\n0.998961 0.998873 0.999432 S\n0.000054 0.000579 0.536315 I\n0.988468 0.544548 0.989634 I\n0.544638 0.989992 0.987836 I\n",
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"volume": 3343.7773655826704,
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"formula_full": "Ag3 S1 I3",
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"updated_at": "2021-11-28T01:36:51Z",
"spacegroup": 1
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{
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"created_at": "2022-09-04T14:43:43.413908Z",
"structure_string": "Pr2 As3 Au1\n1.0\n8.666372 0.000000 0.000000\n0.000000 8.666372 0.000000\n0.000000 0.000000 38.044565\nPr As Au\n2 3 1\ndirect\n0.500000 0.500000 0.243080 Pr\n0.500000 0.500000 0.756920 Pr\n0.500000 0.500000 0.691029 As\n0.500000 0.500000 0.308971 As\n0.500000 0.500000 0.000000 As\n0.500000 0.500000 0.500000 Au\n",
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"spacegroup": 123
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{
"id": "mp-1096153",
"created_at": "2022-09-04T14:39:28.283012Z",
"structure_string": "Ba2 Tl1 Hg1\n1.0\n-6.487499 7.224893 10.120803\n6.487499 -7.224893 10.120803\n6.487499 7.224893 -10.120803\nBa Tl Hg\n2 1 1\ndirect\n0.000000 0.251302 0.251302 Ba\n0.000000 0.748698 0.748698 Ba\n0.000000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Hg\n",
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{
"id": "mp-1097400",
"created_at": "2022-09-04T14:43:08.300824Z",
"structure_string": "K1 Na2 P1\n1.0\n-6.601731 7.042113 10.182461\n6.601731 -7.042113 10.182461\n6.601731 7.042113 -10.182461\nK Na P\n1 2 1\ndirect\n0.000000 0.500000 0.500000 K\n0.000000 0.202105 0.202105 Na\n0.000000 0.797895 0.797895 Na\n0.000000 0.000000 0.000000 P\n",
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"formula_full": "K1 Na2 P1",
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{
"id": "mp-1093736",
"created_at": "2022-09-04T14:39:49.464646Z",
"structure_string": "Sr2 Mg1 Cd1\n1.0\n-6.659173 7.547183 9.414880\n6.659173 -7.547183 9.414880\n6.659173 7.547183 -9.414880\nSr Mg Cd\n2 1 1\ndirect\n0.746927 0.000000 0.746927 Sr\n0.253073 0.000000 0.253073 Sr\n0.000000 0.000000 0.000000 Mg\n0.500000 0.000000 0.500000 Cd\n",
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"volume": 1892.6920529600734,
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"formula_full": "Sr2 Mg1 Cd1",
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"updated_at": "2021-11-28T01:34:40.983000Z",
"spacegroup": 71
}
]
}