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{
"id": "mp-1100389",
"created_at": "2022-09-04T14:45:18.224811Z",
"structure_string": "Ca2 Sn2 S6\n1.0\n10.040271 17.248054 0.000000\n-10.040271 17.248054 0.000000\n0.000000 9.442268 16.122195\nCa Sn S\n2 2 6\ndirect\n0.735478 0.764623 0.245852 Ca\n0.235377 0.264522 0.754148 Ca\n0.500002 0.499998 0.000000 Sn\n0.999997 0.000003 0.500000 Sn\n0.034556 0.982779 0.942788 S\n0.017221 0.965444 0.057212 S\n0.482765 0.534729 0.541184 S\n0.465271 0.517235 0.458816 S\n0.256085 0.243954 0.315950 S\n0.756046 0.743915 0.684050 S\n",
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{
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"created_at": "2022-09-04T14:39:46.763421Z",
"structure_string": "Sm2 Cd1 Sb3\n1.0\n9.061116 0.000000 0.000000\n0.000000 9.061116 0.000000\n0.000000 0.000000 40.589589\nSm Cd Sb\n2 1 3\ndirect\n0.500000 0.500000 0.243021 Sm\n0.500000 0.500000 0.756979 Sm\n0.500000 0.500000 0.500000 Cd\n0.500000 0.500000 0.691055 Sb\n0.500000 0.500000 0.308945 Sb\n0.500000 0.500000 0.000000 Sb\n",
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"volume": 3332.560437614538,
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"formula_full": "Sm2 Cd1 Sb3",
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{
"id": "mp-1097453",
"created_at": "2022-09-04T14:41:54.930994Z",
"structure_string": "Ba2 Na1 Cd1\n1.0\n-7.264480 7.392651 10.307039\n7.264480 -7.392651 10.307039\n7.264480 7.392651 -10.307039\nBa Na Cd\n2 1 1\ndirect\n0.735877 0.000000 0.735877 Ba\n0.264123 0.000000 0.264123 Ba\n0.000000 0.000000 0.000000 Na\n0.500000 0.000000 0.500000 Cd\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Ba-Cd-Na",
"density": 0.3075334198802796,
"density_atomic": 0.0018065972473044181,
"volume": 2214.10721507979,
"volume_molar": 333.3416326735523,
"formula_full": "Ba2 Na1 Cd1",
"formula_reduced": "Ba2NaCd",
"formula_anonymous": "ABC2",
"energy": -1.80176149,
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"updated_at": "2021-11-28T01:35:38.740000Z",
"spacegroup": 71
},
{
"id": "mp-1096751",
"created_at": "2022-09-04T14:42:12.959266Z",
"structure_string": "Ca2 In1 Hg1\n1.0\n-9.307240 9.307240 6.385406\n9.307240 -9.307240 6.385406\n9.307240 9.307240 -6.385406\nCa In Hg\n2 1 1\ndirect\n0.242795 0.242795 0.000000 Ca\n0.757205 0.757205 0.000000 Ca\n0.000000 0.000000 0.000000 In\n0.500000 0.500000 0.000000 Hg\n",
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"density": 0.29687629687682876,
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"volume": 2212.5359358449664,
"volume_molar": 333.1050710554179,
"formula_full": "Ca2 In1 Hg1",
"formula_reduced": "Ca2InHg",
"formula_anonymous": "ABC2",
"energy": -2.9216728,
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"updated_at": "2021-11-28T01:35:46.837000Z",
"spacegroup": 139
},
{
"id": "mp-1206111",
"created_at": "2022-09-04T14:39:48.804269Z",
"structure_string": "Y2 Ag1 Sb3\n1.0\n9.096539 0.000000 0.000000\n0.000000 9.096539 0.000000\n0.000000 0.000000 40.021914\nY Ag Sb\n2 1 3\ndirect\n0.500000 0.500000 0.243010 Y\n0.500000 0.500000 0.756990 Y\n0.500000 0.500000 0.500000 Ag\n0.500000 0.500000 0.691011 Sb\n0.500000 0.500000 0.308989 Sb\n0.500000 0.500000 0.000000 Sb\n",
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"density_atomic": 0.0018117614903115093,
"volume": 3311.694189376095,
"volume_molar": 332.3914760416157,
"formula_full": "Y2 Ag1 Sb3",
"formula_reduced": "Y2AgSb3",
"formula_anonymous": "AB2C3",
"energy": -15.046437790000002,
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"updated_at": "2021-11-28T01:34:32.684000Z",
"spacegroup": 123
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{
"id": "mp-1209782",
"created_at": "2022-09-04T14:45:41.711240Z",
"structure_string": "Pr2 Sb3 Pd1\n1.0\n9.831525 0.000000 0.000000\n0.000000 9.831525 0.000000\n0.000000 0.000000 34.132600\nPr Sb Pd\n2 3 1\ndirect\n0.500000 0.500000 0.263854 Pr\n0.500000 0.500000 0.736146 Pr\n0.500000 0.500000 0.500000 Sb\n0.500000 0.500000 0.656434 Sb\n0.500000 0.500000 0.343566 Sb\n0.500000 0.500000 0.000000 Pd\n",
"nsites": 6,
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"elements": [
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"Sb",
"Pd"
],
"chemical_system": "Pd-Pr-Sb",
"density": 0.3792538737437613,
"density_atomic": 0.00181861221311589,
"volume": 3299.219018066527,
"volume_molar": 331.13935541442686,
"formula_full": "Pr2 Sb3 Pd1",
"formula_reduced": "Pr2Sb3Pd",
"formula_anonymous": "AB2C3",
"energy": -13.20986522,
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"updated_at": "2021-11-28T01:37:18.927000Z",
"spacegroup": 123
},
{
"id": "mp-1097085",
"created_at": "2022-09-04T14:40:24.763821Z",
"structure_string": "Na2 Sr1 Ca1\n1.0\n-7.244435 7.387244 10.266966\n7.244435 -7.387244 10.266966\n7.244435 7.387244 -10.266966\nNa Sr Ca\n2 1 1\ndirect\n0.754228 0.000000 0.754228 Na\n0.245772 0.000000 0.245772 Na\n0.500000 0.000000 0.500000 Sr\n0.000000 0.000000 0.000000 Ca\n",
"nsites": 4,
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"Sr",
"Ca"
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"density": 0.13122109989924757,
"density_atomic": 0.0018199980057303224,
"volume": 2197.8046060522433,
"volume_molar": 330.8872175155739,
"formula_full": "Na2 Sr1 Ca1",
"formula_reduced": "Na2SrCa",
"formula_anonymous": "ABC2",
"energy": -2.17382391,
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"updated_at": "2021-11-28T01:34:53.992000Z",
"spacegroup": 71
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{
"id": "mp-1207313",
"created_at": "2022-09-04T14:47:55.208033Z",
"structure_string": "Mg1 Cl6\n1.0\n5.095411 -7.892621 0.000000\n5.095411 7.892621 0.000000\n0.000000 0.000000 47.406835\nMg Cl\n1 6\ndirect\n0.000000 0.000000 0.000000 Mg\n0.000000 0.000000 0.249982 Cl\n0.000000 0.000000 0.750018 Cl\n0.252564 0.008747 0.000000 Cl\n0.747436 0.991253 0.000000 Cl\n0.008747 0.252564 0.000000 Cl\n0.991253 0.747436 0.000000 Cl\n",
"nsites": 7,
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"elements": [
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"Cl"
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"density": 0.10322102367978526,
"density_atomic": 0.0018358052760451221,
"volume": 3813.040572080776,
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"formula_full": "Mg1 Cl6",
"formula_reduced": "MgCl6",
"formula_anonymous": "AB6",
"energy": -15.824322319999998,
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"updated_at": "2021-11-28T01:38:21.247000Z",
"spacegroup": 65
},
{
"id": "mp-1097519",
"created_at": "2022-09-04T14:41:58.677761Z",
"structure_string": "Na1 Sr2 Li1\n1.0\n-7.203664 7.390764 10.213560\n7.203664 -7.390764 10.213560\n7.203664 7.390764 -10.213560\nNa Sr Li\n1 2 1\ndirect\n0.500000 0.000000 0.500000 Na\n0.755947 0.000000 0.755947 Sr\n0.244053 0.000000 0.244053 Sr\n0.000000 0.000000 0.000000 Li\n",
"nsites": 4,
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"density": 0.15663350485159547,
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"volume": 2175.103455908813,
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"formula_full": "Na1 Sr2 Li1",
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"updated_at": "2021-11-28T01:35:32.433000Z",
"spacegroup": 71
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{
"id": "mp-1207314",
"created_at": "2022-09-04T14:41:14.815999Z",
"structure_string": "Ho2 Ag1 Sb3\n1.0\n9.034712 0.000000 0.000000\n0.000000 9.034712 0.000000\n0.000000 0.000000 39.814721\nHo Ag Sb\n2 1 3\ndirect\n0.500000 0.500000 0.243105 Ho\n0.500000 0.500000 0.756895 Ho\n0.500000 0.500000 0.500000 Ag\n0.500000 0.500000 0.691142 Sb\n0.500000 0.500000 0.308858 Sb\n0.500000 0.500000 0.000000 Sb\n",
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"volume": 3249.917249387178,
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"formula_full": "Ho2 Ag1 Sb3",
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{
"id": "mp-1206519",
"created_at": "2022-09-04T14:45:20.237847Z",
"structure_string": "Hf2 Sb3\n1.0\n8.826732 0.000000 0.000000\n0.000000 8.826732 0.000000\n0.000000 0.000000 34.718055\nHf Sb\n2 3\ndirect\n0.500000 0.500000 0.284765 Hf\n0.500000 0.500000 0.715235 Hf\n0.500000 0.500000 0.642741 Sb\n0.500000 0.500000 0.357259 Sb\n0.500000 0.500000 0.000000 Sb\n",
"nsites": 5,
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"volume": 2704.9252503301686,
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"formula_full": "Hf2 Sb3",
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"energy": -18.17216956,
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{
"id": "mp-1093929",
"created_at": "2022-09-04T14:45:35.144432Z",
"structure_string": "Ba2 Na1 Tl1\n1.0\n-7.193230 7.265794 10.268023\n7.193230 -7.265794 10.268023\n7.193230 7.265794 -10.268023\nBa Na Tl\n2 1 1\ndirect\n0.000000 0.268684 0.268684 Ba\n0.000000 0.731316 0.731316 Ba\n0.000000 0.000000 0.000000 Na\n0.000000 0.500000 0.500000 Tl\n",
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"volume": 2146.613476666911,
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"formula_full": "Ba2 Na1 Tl1",
"formula_reduced": "Ba2NaTl",
"formula_anonymous": "ABC2",
"energy": -3.41640613,
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"updated_at": "2021-11-28T01:37:11.008000Z",
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}
]
}