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{
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{
"id": "mp-1208643",
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"structure_string": "Sr4 Hf4 S12\n1.0\n6.783809 0.000000 0.000000\n0.000000 7.114071 0.000000\n0.000000 0.000000 9.778173\nSr Hf S\n4 4 12\ndirect\n0.022554 0.426397 0.250000 Sr\n0.977446 0.573603 0.750000 Sr\n0.522554 0.073603 0.750000 Sr\n0.477446 0.926397 0.250000 Sr\n0.000000 0.000000 0.000000 Hf\n0.500000 0.500000 0.000000 Hf\n0.000000 0.000000 0.500000 Hf\n0.500000 0.500000 0.500000 Hf\n0.302185 0.201288 0.048047 S\n0.697815 0.798712 0.951952 S\n0.802185 0.298712 0.951952 S\n0.697815 0.798712 0.548048 S\n0.197815 0.701288 0.048047 S\n0.302185 0.201288 0.451952 S\n0.197815 0.701288 0.451952 S\n0.802185 0.298712 0.548048 S\n0.593379 0.520073 0.250000 S\n0.406621 0.479927 0.750000 S\n0.093379 0.979927 0.750000 S\n0.906621 0.020073 0.250000 S\n",
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{
"id": "mp-1518608",
"created_at": "2022-09-04T14:42:07.744917Z",
"structure_string": "Sr1 Hf1 Ti1 In1 O6\n1.0\n0.000000 -4.034614 -4.034614\n4.034614 -0.000000 -4.034614\n4.034614 -4.034614 0.000000\nSr Hf Ti In O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Sr\n-0.000000 0.000000 -0.000000 Hf\n0.500000 0.500000 0.500000 Ti\n0.250000 0.250000 0.250000 In\n0.744037 0.255963 0.255963 O\n0.255963 0.744037 0.744037 O\n0.744037 0.255963 0.744037 O\n0.255963 0.744037 0.255963 O\n0.744037 0.744037 0.255963 O\n0.255963 0.255963 0.744037 O\n",
"nsites": 10,
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"formula_full": "Sr1 Hf1 Ti1 In1 O6",
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"energy": -83.23596666,
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"updated_at": "2021-11-28T01:35:37.586000Z",
"spacegroup": 216
},
{
"id": "mp-1520298",
"created_at": "2022-09-04T14:43:53.954789Z",
"structure_string": "Sr1 Hf1 Ti1 Sn1 O6\n1.0\n0.000000 -4.041968 -4.041968\n4.041968 0.000000 -4.041968\n4.041968 -4.041968 0.000000\nSr Hf Ti Sn O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Sr\n0.000000 0.000000 0.000000 Hf\n0.500000 0.500000 0.500000 Ti\n0.250000 0.250000 0.250000 Sn\n0.743761 0.256239 0.256239 O\n0.256239 0.743761 0.743761 O\n0.743761 0.256239 0.743761 O\n0.256239 0.743761 0.256239 O\n0.743761 0.743761 0.256239 O\n0.256239 0.256239 0.743761 O\n",
"nsites": 10,
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"chemical_system": "Hf-O-Sn-Sr-Ti",
"density": 6.647160471797399,
"density_atomic": 0.07571665013371992,
"volume": 132.07134735014597,
"volume_molar": 7.953522441054321,
"formula_full": "Sr1 Hf1 Ti1 Sn1 O6",
"formula_reduced": "SrHfTiSnO6",
"formula_anonymous": "ABCDE6",
"energy": -85.17735971,
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"updated_at": "2021-11-28T01:36:24.739000Z",
"spacegroup": 216
},
{
"id": "mp-1520913",
"created_at": "2022-09-04T14:44:27.648306Z",
"structure_string": "Sr1 Hf1 V1 Sn1 O6\n1.0\n0.000000 -4.018937 -4.018937\n4.018937 -0.000000 -4.018937\n4.018937 -4.018937 -0.000000\nSr Hf V Sn O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Sr\n0.000000 -0.000000 -0.000000 Hf\n0.500000 0.500000 0.500000 V\n0.250000 0.250000 0.250000 Sn\n0.742723 0.257277 0.257277 O\n0.257277 0.742723 0.742723 O\n0.742723 0.257277 0.742723 O\n0.257277 0.742723 0.257277 O\n0.742723 0.742723 0.257277 O\n0.257277 0.257277 0.742723 O\n",
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"elements": [
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"density": 6.801417859345178,
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"volume": 129.82657222124996,
"volume_molar": 7.81833892304673,
"formula_full": "Sr1 Hf1 V1 Sn1 O6",
"formula_reduced": "SrHfVSnO6",
"formula_anonymous": "ABCDE6",
"energy": -82.85372078,
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"updated_at": "2021-11-28T01:36:38.537000Z",
"spacegroup": 216
},
{
"id": "mp-1521324",
"created_at": "2022-09-04T14:48:11.485785Z",
"structure_string": "Sr1 Hf1 Zr1 Sn1 O6\n1.0\n0.000000 -4.169559 -4.169559\n4.169559 -0.000000 -4.169559\n4.169559 -4.169559 0.000000\nSr Hf Zr Sn O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Sr\n0.000000 -0.000000 0.000000 Hf\n0.500000 0.500000 0.500000 Zr\n0.250000 0.250000 0.250000 Sn\n0.751811 0.248189 0.248189 O\n0.248189 0.751811 0.751811 O\n0.751811 0.248189 0.751811 O\n0.248189 0.751811 0.248189 O\n0.751811 0.751811 0.248189 O\n0.248189 0.248189 0.751811 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
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"Hf",
"Zr",
"Sn",
"O"
],
"chemical_system": "Hf-O-Sn-Sr-Zr",
"density": 6.552023294012093,
"density_atomic": 0.06897625858763692,
"volume": 144.97741983634305,
"volume_molar": 8.73074429276074,
"formula_full": "Sr1 Hf1 Zr1 Sn1 O6",
"formula_reduced": "SrHfZrSnO6",
"formula_anonymous": "ABCDE6",
"energy": -86.19554483,
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"updated_at": "2021-11-28T01:38:33.203000Z",
"spacegroup": 216
},
{
"id": "mp-542",
"created_at": "2022-09-04T14:45:56.986980Z",
"structure_string": "Sr1 Hg1\n1.0\n4.027534 0.000000 0.000000\n0.000000 4.027534 0.000000\n0.000000 0.000000 4.027534\nSr Hg\n1 1\ndirect\n0.500000 0.500000 0.500000 Sr\n0.000000 0.000000 0.000000 Hg\n",
"nsites": 2,
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"elements": [
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],
"chemical_system": "Hg-Sr",
"density": 7.325554382616935,
"density_atomic": 0.03061345522528674,
"volume": 65.33075032797991,
"volume_molar": 19.67154872157556,
"formula_full": "Sr1 Hg1",
"formula_reduced": "SrHg",
"formula_anonymous": "AB",
"energy": -3.0536888,
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"updated_at": "2021-11-28T01:37:08.285000Z",
"spacegroup": 221
},
{
"id": "mp-1197367",
"created_at": "2022-09-04T14:40:38.988565Z",
"structure_string": "Sr3 Hg33\n1.0\n10.142684 0.000000 0.000000\n0.000000 10.142684 0.000000\n0.000000 0.000000 10.142684\nSr Hg\n3 33\ndirect\n0.000000 0.000000 0.500000 Sr\n0.000000 0.500000 0.000000 Sr\n0.500000 0.000000 0.000000 Sr\n0.500000 0.500000 0.500000 Hg\n0.152712 0.152712 0.847288 Hg\n0.152712 0.847288 0.152712 Hg\n0.847288 0.152712 0.152712 Hg\n0.847288 0.847288 0.847288 Hg\n0.847288 0.847288 0.152712 Hg\n0.847288 0.152712 0.847288 Hg\n0.152712 0.847288 0.847288 Hg\n0.152712 0.152712 0.152712 Hg\n0.341645 0.341645 0.000000 Hg\n0.341645 0.000000 0.658355 Hg\n0.000000 0.341645 0.658355 Hg\n0.341645 0.658355 0.000000 Hg\n0.341645 0.000000 0.341645 Hg\n0.000000 0.658355 0.341645 Hg\n0.658355 0.341645 0.000000 Hg\n0.658355 0.000000 0.341645 Hg\n0.000000 0.341645 0.341645 Hg\n0.658355 0.658355 0.000000 Hg\n0.658355 0.000000 0.658355 Hg\n0.000000 0.658355 0.658355 Hg\n0.262272 0.262272 0.500000 Hg\n0.262272 0.500000 0.737728 Hg\n0.500000 0.262272 0.737728 Hg\n0.262272 0.737728 0.500000 Hg\n0.262272 0.500000 0.262272 Hg\n0.500000 0.737728 0.262272 Hg\n0.737728 0.262272 0.500000 Hg\n0.737728 0.500000 0.262272 Hg\n0.500000 0.262272 0.262272 Hg\n0.737728 0.737728 0.500000 Hg\n0.737728 0.500000 0.737728 Hg\n0.500000 0.737728 0.737728 Hg\n",
"nsites": 36,
"nelements": 2,
"elements": [
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],
"chemical_system": "Hg-Sr",
"density": 10.952818853749147,
"density_atomic": 0.03450196383548481,
"volume": 1043.4188665798345,
"volume_molar": 17.454486906065064,
"formula_full": "Sr3 Hg33",
"formula_reduced": "SrHg11",
"formula_anonymous": "AB11",
"energy": -18.67348811,
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"updated_at": "2021-11-28T01:35:02.394000Z",
"spacegroup": 221
},
{
"id": "mp-11472",
"created_at": "2022-09-04T14:46:16.947534Z",
"structure_string": "Sr1 Hg2\n1.0\n2.545483 -4.408907 0.000000\n2.545483 4.408907 0.000000\n0.000000 0.000000 4.043565\nSr Hg\n1 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.666667 0.333333 0.500000 Hg\n0.333333 0.666667 0.500000 Hg\n",
"nsites": 3,
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"density": 8.943030898776703,
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"volume": 90.76022491045028,
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"formula_full": "Sr1 Hg2",
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"updated_at": "2021-11-28T01:37:26.125000Z",
"spacegroup": 191
},
{
"id": "mp-568526",
"created_at": "2022-09-04T14:46:38.639925Z",
"structure_string": "Sr2 Hg4\n1.0\n-2.580630 3.975171 4.357406\n2.580630 -3.975171 4.357406\n2.580630 3.975171 -4.357406\nSr Hg\n2 4\ndirect\n0.790049 0.540049 0.250000 Sr\n0.209951 0.459951 0.750000 Sr\n0.211839 0.165942 0.045897 Hg\n0.379955 0.834058 0.545897 Hg\n0.620045 0.165942 0.454103 Hg\n0.788161 0.834058 0.954103 Hg\n",
"nsites": 6,
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"elements": [
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],
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"density": 9.07905641779116,
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"volume": 178.80084854711174,
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"formula_full": "Sr2 Hg4",
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"energy": -7.47434957,
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"updated_at": "2021-11-28T01:37:43.307000Z",
"spacegroup": 74
},
{
"id": "mp-1096378",
"created_at": "2022-09-04T14:39:21.373829Z",
"structure_string": "Sr1 Hg2 Bi1\n1.0\n-6.045760 6.446940 9.041174\n6.045760 -6.446940 9.041174\n6.045760 6.446940 -9.041174\nSr Hg Bi\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Sr\n0.000000 0.261840 0.261840 Hg\n0.000000 0.738160 0.738160 Hg\n0.000000 0.500000 0.500000 Bi\n",
"nsites": 4,
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"elements": [
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"Hg",
"Bi"
],
"chemical_system": "Bi-Hg-Sr",
"density": 0.8220126742627188,
"density_atomic": 0.002837727189026709,
"volume": 1409.5787697519754,
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"formula_full": "Sr1 Hg2 Bi1",
"formula_reduced": "SrHg2Bi",
"formula_anonymous": "ABC2",
"energy": -3.12091105,
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"updated_at": "2021-11-28T01:34:38.872000Z",
"spacegroup": 71
},
{
"id": "mp-554351",
"created_at": "2022-09-04T14:46:55.352459Z",
"structure_string": "Sr4 Hg8 Cl8 O8\n1.0\n7.164061 0.000000 0.000000\n0.000000 8.454036 0.000000\n0.000000 6.261600 9.984306\nSr Hg Cl O\n4 8 8 8\ndirect\n0.376352 0.651498 0.624586 Sr\n0.623648 0.348502 0.375414 Sr\n0.123648 0.651498 0.124586 Sr\n0.876352 0.348502 0.875414 Sr\n0.669779 0.895366 0.132178 Hg\n0.936660 0.735001 0.393392 Hg\n0.436660 0.264999 0.106608 Hg\n0.830221 0.895366 0.632178 Hg\n0.330221 0.104634 0.867822 Hg\n0.169779 0.104634 0.367822 Hg\n0.063340 0.264999 0.606608 Hg\n0.563340 0.735001 0.893392 Hg\n0.600040 0.954550 0.387517 Cl\n0.180992 0.587843 0.873132 Cl\n0.399960 0.045450 0.612483 Cl\n0.100040 0.045450 0.112483 Cl\n0.899960 0.954550 0.887517 Cl\n0.680992 0.412157 0.626868 Cl\n0.819008 0.412157 0.126868 Cl\n0.319008 0.587843 0.373132 Cl\n0.318070 0.349097 0.229816 O\n0.078599 0.826552 0.503112 O\n0.181930 0.349097 0.729816 O\n0.921401 0.173448 0.496888 O\n0.818070 0.650903 0.270184 O\n0.421401 0.826552 0.003112 O\n0.681930 0.650903 0.770184 O\n0.578599 0.173448 0.996888 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
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"Cl",
"O"
],
"chemical_system": "Cl-Hg-O-Sr",
"density": 6.499394975827859,
"density_atomic": 0.04630381566781061,
"volume": 604.7017852886146,
"volume_molar": 13.005711674397622,
"formula_full": "Sr4 Hg8 Cl8 O8",
"formula_reduced": "SrHg2(ClO)2",
"formula_anonymous": "AB2C2D2",
"energy": -109.63685249,
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"energy_above_hull": null,
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"updated_at": "2021-11-28T01:37:51.935000Z",
"spacegroup": 14
},
{
"id": "mp-1187216",
"created_at": "2022-09-04T14:44:14.823361Z",
"structure_string": "Sr1 Hg2 Pb1\n1.0\n0.000000 3.877044 3.877044\n3.877044 0.000000 3.877044\n3.877044 3.877044 0.000000\nSr Hg Pb\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Sr\n0.250000 0.250000 0.250000 Hg\n0.750000 0.750000 0.750000 Hg\n0.500000 0.500000 0.500000 Pb\n",
"nsites": 4,
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"elements": [
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"Pb"
],
"chemical_system": "Hg-Pb-Sr",
"density": 9.915763321317822,
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"volume": 116.55534252909142,
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"formula_full": "Sr1 Hg2 Pb1",
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"formula_anonymous": "ABC2",
"energy": -7.63954634,
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"updated_at": "2021-11-28T01:36:28.821000Z",
"spacegroup": 225
}
]
}