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{
"id": "mp-1013535",
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{
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"spacegroup": 221
},
{
"id": "mp-1187149",
"created_at": "2022-09-04T14:40:26.429755Z",
"structure_string": "Sr3 Sc1\n1.0\n-2.781317 2.781317 5.786730\n2.781317 -2.781317 5.786730\n2.781317 2.781317 -5.786730\nSr Sc\n3 1\ndirect\n0.750000 0.250000 0.500000 Sr\n0.250000 0.750000 0.500000 Sr\n0.500000 0.500000 0.000000 Sr\n0.000000 0.000000 0.000000 Sc\n",
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"updated_at": "2021-11-28T01:34:49.711000Z",
"spacegroup": 139
},
{
"id": "mp-15900",
"created_at": "2022-09-04T14:47:16.127009Z",
"structure_string": "Sr3 Sc2 Cu2 S2 O5\n1.0\n-2.048151 2.048151 13.079181\n2.048151 -2.048151 13.079181\n2.048151 2.048151 -13.079181\nSr Sc Cu S O\n3 2 2 2 5\ndirect\n0.500000 0.500000 0.000000 Sr\n0.644881 0.644881 0.000000 Sr\n0.355119 0.355119 0.000000 Sr\n0.923709 0.923709 0.000000 Sc\n0.076291 0.076291 0.000000 Sc\n0.750000 0.250000 0.500000 Cu\n0.250000 0.750000 0.500000 Cu\n0.800819 0.800819 0.000000 S\n0.199181 0.199181 0.000000 S\n0.000000 0.000000 0.000000 O\n0.913281 0.413281 0.500000 O\n0.413281 0.913281 0.500000 O\n0.586719 0.086719 0.500000 O\n0.086719 0.586719 0.500000 O\n",
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"volume_molar": 9.44033382015836,
"formula_full": "Sr3 Sc2 Cu2 S2 O5",
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"spacegroup": 139
},
{
"id": "mp-1103895",
"created_at": "2022-09-04T14:42:11.171815Z",
"structure_string": "Sr3 Sc2 Fe2 As2 O5\n1.0\n4.149262 0.000000 0.000000\n0.000000 4.149262 0.000000\n-2.074631 -2.074631 13.990322\nSr Sc Fe As O\n3 2 2 2 5\ndirect\n0.500000 0.500000 0.000000 Sr\n0.633786 0.633786 0.267572 Sr\n0.366214 0.366214 0.732428 Sr\n0.929223 0.929223 0.858447 Sc\n0.070777 0.070777 0.141553 Sc\n0.250000 0.750000 0.500000 Fe\n0.750000 0.250000 0.500000 Fe\n0.807401 0.807401 0.614802 As\n0.192599 0.192599 0.385198 As\n0.420244 0.920244 0.840488 O\n0.920244 0.420244 0.840488 O\n0.579756 0.079756 0.159512 O\n0.079756 0.579756 0.159512 O\n0.000000 0.000000 0.000000 O\n",
"nsites": 14,
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"elements": [
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"density": 4.786610631773611,
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"volume": 240.86263194636615,
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"formula_full": "Sr3 Sc2 Fe2 As2 O5",
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"spacegroup": 139
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{
"id": "mp-1218418",
"created_at": "2022-09-04T14:42:42.189576Z",
"structure_string": "Sr3 Se2 Cl2 O6\n1.0\n2.819241 6.692556 0.000000\n-2.819241 6.692556 0.000000\n0.000000 0.738039 6.746359\nSr Se Cl O\n3 2 2 6\ndirect\n0.286516 0.288662 0.212100 Sr\n0.711338 0.713484 0.787900 Sr\n0.982717 0.017283 0.000000 Sr\n0.401711 0.405261 0.735114 Se\n0.594739 0.598289 0.264886 Se\n0.160354 0.160949 0.624686 Cl\n0.839051 0.839646 0.375314 Cl\n0.878000 0.408126 0.115339 O\n0.404655 0.879764 0.114778 O\n0.120236 0.595345 0.885222 O\n0.591874 0.122000 0.884661 O\n0.475558 0.469748 0.228340 O\n0.530252 0.524442 0.771660 O\n",
"nsites": 13,
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"elements": [
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],
"chemical_system": "Cl-O-Se-Sr",
"density": 3.8332586283005528,
"density_atomic": 0.051064571524031196,
"volume": 254.5796353912839,
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"formula_full": "Sr3 Se2 Cl2 O6",
"formula_reduced": "Sr3Se2(ClO3)2",
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"spacegroup": 5
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{
"id": "mp-1218459",
"created_at": "2022-09-04T14:40:01.063970Z",
"structure_string": "Sr3 Sm1 Co2 O8\n1.0\n2.678623 -6.301532 0.000000\n2.678623 6.301532 0.000000\n0.000000 0.000000 5.382189\nSr Sm Co O\n3 1 2 8\ndirect\n0.646651 0.353349 0.000000 Sr\n0.355748 0.644252 0.000000 Sr\n0.854544 0.145456 0.500000 Sr\n0.138184 0.861816 0.500000 Sm\n0.499415 0.500585 0.500000 Co\n0.999830 0.000170 0.000000 Co\n0.843776 0.156224 0.000000 O\n0.321448 0.678552 0.500000 O\n0.661524 0.338476 0.500000 O\n0.159503 0.840497 0.000000 O\n0.248190 0.238501 0.250894 O\n0.761499 0.751810 0.749106 O\n0.248190 0.238501 0.749106 O\n0.761499 0.751810 0.250894 O\n",
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"density": 6.023398530362602,
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"volume": 181.69654934088518,
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"formula_full": "Sr3 Sm1 Co2 O8",
"formula_reduced": "Sr3Sm(CoO4)2",
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{
"id": "mp-1218432",
"created_at": "2022-09-04T14:41:06.212833Z",
"structure_string": "Sr3 Sm1 Fe2 O8\n1.0\n2.732755 -6.337227 0.000000\n2.732755 6.337227 0.000000\n0.000000 0.000000 5.476229\nSr Sm Fe O\n3 1 2 8\ndirect\n0.646446 0.353554 0.000000 Sr\n0.354916 0.645084 0.000000 Sr\n0.854393 0.145607 0.500000 Sr\n0.139782 0.860218 0.500000 Sm\n0.503768 0.496232 0.500000 Fe\n0.997613 0.002387 0.000000 Fe\n0.842392 0.157608 0.000000 O\n0.317877 0.682123 0.500000 O\n0.664681 0.335319 0.500000 O\n0.160514 0.839486 0.000000 O\n0.253851 0.245042 0.259588 O\n0.754958 0.746149 0.740412 O\n0.754958 0.746149 0.259588 O\n0.253851 0.245042 0.740412 O\n",
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{
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"structure_string": "Sr3 Sn1\n1.0\n5.366235 0.000000 0.000000\n0.000000 5.366235 0.000000\n0.000000 0.000000 5.366235\nSr Sn\n3 1\ndirect\n0.000000 0.500000 0.500000 Sr\n0.500000 0.000000 0.500000 Sr\n0.500000 0.500000 0.000000 Sr\n0.000000 0.000000 0.000000 Sn\n",
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{
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{
"id": "mp-1218548",
"created_at": "2022-09-04T14:47:02.258380Z",
"structure_string": "Sr3 Sn3 Au8\n1.0\n2.387878 8.657245 0.000000\n-2.387878 8.657245 0.000000\n0.000000 5.511972 8.205737\nSr Sn Au\n3 3 8\ndirect\n0.698095 0.698095 0.274149 Sr\n0.301905 0.301905 0.725851 Sr\n0.000000 0.000000 0.000000 Sr\n0.000000 0.000000 0.500000 Sn\n0.329126 0.329126 0.317753 Sn\n0.670874 0.670874 0.682247 Sn\n0.872858 0.872858 0.852585 Au\n0.127142 0.127142 0.147415 Au\n0.136974 0.136974 0.577552 Au\n0.863026 0.863026 0.422448 Au\n0.496467 0.496467 0.302799 Au\n0.503533 0.503533 0.697201 Au\n0.659272 0.659272 0.970403 Au\n0.340728 0.340728 0.029597 Au\n",
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"volume": 339.26529160071243,
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{
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"structure_string": "Sr3 Sn4 Ir4\n1.0\n-4.090075 4.090075 4.090075\n4.090075 -4.090075 4.090075\n4.090075 4.090075 -4.090075\nSr Sn Ir\n3 4 4\ndirect\n0.500000 0.500000 0.000000 Sr\n0.000000 0.500000 0.500000 Sr\n0.500000 0.000000 0.500000 Sr\n0.386051 0.000000 0.000000 Sn\n0.000000 0.000000 0.386051 Sn\n0.000000 0.386051 0.000000 Sn\n0.613948 0.613948 0.613949 Sn\n0.000000 0.750815 0.000000 Ir\n0.000000 0.000000 0.750815 Ir\n0.249185 0.249185 0.249185 Ir\n0.750815 0.000000 0.000000 Ir\n",
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}