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{
"id": "mp-1212055",
"created_at": "2022-09-04T14:42:51.960406Z",
"structure_string": "Li1 Mo3 O6\n1.0\n3.974438 -6.416089 0.000000\n3.974438 6.416089 0.000000\n0.000000 0.000000 34.400901\nLi Mo O\n1 3 6\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.000000 0.500000 Mo\n0.500000 0.000000 0.000000 Mo\n0.000000 0.500000 0.000000 Mo\n0.000000 0.000000 0.245670 O\n0.000000 0.000000 0.754330 O\n0.289954 0.055571 0.000000 O\n0.710046 0.944429 0.000000 O\n0.055571 0.289954 0.000000 O\n0.944429 0.710046 0.000000 O\n",
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{
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{
"id": "mp-1213922",
"created_at": "2022-09-04T14:40:26.532574Z",
"structure_string": "Cl8 O8\n1.0\n-7.523461 7.523461 8.143705\n7.523461 -7.523461 8.143705\n7.523461 7.523461 -8.143705\nCl O\n8 8\ndirect\n0.262386 0.195857 0.066529 Cl\n0.129328 0.195857 0.933471 Cl\n0.945857 0.379328 0.433471 Cl\n0.620672 0.054143 0.566529 Cl\n0.487614 0.054143 0.433471 Cl\n0.945857 0.512386 0.566529 Cl\n0.804143 0.870672 0.066529 Cl\n0.804143 0.737614 0.933471 Cl\n0.333724 0.087404 0.246321 O\n0.841083 0.087404 0.753679 O\n0.837404 0.091083 0.253679 O\n0.908917 0.162596 0.746321 O\n0.416276 0.162596 0.253679 O\n0.837404 0.583724 0.746321 O\n0.912596 0.158917 0.246321 O\n0.912596 0.666276 0.753679 O\n",
"nsites": 16,
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"elements": [
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"chemical_system": "Cl-O",
"density": 0.37070406560715863,
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"volume": 1843.8151225645463,
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"formula_full": "Cl8 O8",
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"spacegroup": 141
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{
"id": "mp-1096165",
"created_at": "2022-09-04T14:48:04.309566Z",
"structure_string": "Y2 Mg1 Cd1\n1.0\n-6.244110 6.405315 8.802854\n6.244110 -6.405315 8.802854\n6.244110 6.405315 -8.802854\nY Mg Cd\n2 1 1\ndirect\n0.260024 0.000000 0.260024 Y\n0.739976 0.000000 0.739976 Y\n0.000000 0.000000 0.000000 Mg\n0.500000 0.000000 0.500000 Cd\n",
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"density": 0.3708629673149333,
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"volume": 1408.297887382012,
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"formula_full": "Y2 Mg1 Cd1",
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{
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"created_at": "2022-09-04T14:39:46.917744Z",
"structure_string": "Ti2 Fe1 Ru1\n1.0\n-4.445644 6.738930 9.417900\n4.445644 -6.738930 9.417900\n4.445644 6.738930 -9.417900\nTi Fe Ru\n2 1 1\ndirect\n0.000000 0.254206 0.254206 Ti\n0.000000 0.745794 0.745794 Ti\n0.000000 0.000000 0.000000 Fe\n0.000000 0.500000 0.500000 Ru\n",
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"volume": 1128.5990839810097,
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"formula_full": "Ti2 Fe1 Ru1",
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"updated_at": "2021-11-28T01:34:39.518000Z",
"spacegroup": 71
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{
"id": "mp-1096087",
"created_at": "2022-09-04T14:39:21.604085Z",
"structure_string": "Li1 Y1 In2\n1.0\n-5.904838 6.551637 9.394753\n5.904838 -6.551637 9.394753\n5.904838 6.551637 -9.394753\nLi Y In\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.500000 Y\n0.000000 0.238911 0.238911 In\n0.000000 0.761089 0.761089 In\n",
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"density": 0.3717697383142878,
"density_atomic": 0.0027514195543153256,
"volume": 1453.795003283451,
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"formula_full": "Li1 Y1 In2",
"formula_reduced": "LiYIn2",
"formula_anonymous": "ABC2",
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"updated_at": "2021-11-28T01:34:35.872000Z",
"spacegroup": 71
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{
"id": "mp-1206226",
"created_at": "2022-09-04T14:40:16.713893Z",
"structure_string": "Ag1 Bi3 Te6\n1.0\n-5.906626 -10.230575 0.000000\n-5.481141 9.984922 0.000000\n0.000000 0.000000 -58.248389\nAg Bi Te\n1 3 6\ndirect\n0.000000 -0.000000 0.000000 Ag\n0.000000 -0.000000 0.500000 Bi\n0.500000 0.500000 0.000000 Bi\n0.000000 0.500000 0.000000 Bi\n0.000000 -0.000000 0.768996 Te\n0.000000 -0.000000 0.231004 Te\n0.752544 0.752340 -0.000000 Te\n0.247456 0.247660 0.000000 Te\n0.000204 0.247660 -0.000000 Te\n0.999796 0.752340 0.000000 Te\n",
"nsites": 10,
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],
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"density": 0.3717741440146665,
"density_atomic": 0.0014921768864941403,
"volume": 6701.618347336108,
"volume_molar": 403.5808900745661,
"formula_full": "Ag1 Bi3 Te6",
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"energy": -24.477988880000005,
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{
"id": "mp-1209649",
"created_at": "2022-09-04T14:47:17.139890Z",
"structure_string": "Sm2 Sb3 Au1\n1.0\n9.738592 0.000000 0.000000\n0.000000 9.738592 0.000000\n0.000000 0.000000 40.639337\nSm Sb Au\n2 3 1\ndirect\n0.500000 0.500000 0.248023 Sm\n0.500000 0.500000 0.751977 Sm\n0.500000 0.500000 0.685791 Sb\n0.500000 0.500000 0.314209 Sb\n0.500000 0.500000 0.000000 Sb\n0.500000 0.500000 0.500000 Au\n",
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"volume": 3854.2417981142808,
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"formula_full": "Sm2 Sb3 Au1",
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"formula_anonymous": "AB2C3",
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{
"id": "mp-1097271",
"created_at": "2022-09-04T14:40:06.088449Z",
"structure_string": "Li1 Y2 Ag1\n1.0\n-6.123758 6.134935 8.684483\n6.123758 -6.134935 8.684483\n6.123758 6.134935 -8.684483\nLi Y Ag\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.274459 0.274459 Y\n0.000000 0.725541 0.725541 Y\n0.000000 0.500000 0.500000 Ag\n",
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"volume": 1305.064409709393,
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"formula_full": "Li1 Y2 Ag1",
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{
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"formula_full": "Sr2 Cd1 Ga1",
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{
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"created_at": "2022-09-04T14:39:16.740144Z",
"structure_string": "Ca2 Zn1 Pb1\n1.0\n-6.245206 6.669501 9.428726\n6.245206 -6.669501 9.428726\n6.245206 6.669501 -9.428726\nCa Zn Pb\n2 1 1\ndirect\n0.000000 0.257838 0.257838 Ca\n0.000000 0.742162 0.742162 Ca\n0.000000 0.000000 0.000000 Zn\n0.000000 0.500000 0.500000 Pb\n",
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{
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"created_at": "2022-09-04T14:39:08.552209Z",
"structure_string": "Sc2 In1 Tc1\n1.0\n-5.140923 6.899033 9.484310\n5.140923 -6.899033 9.484310\n5.140923 6.899033 -9.484310\nSc In Tc\n2 1 1\ndirect\n0.000000 0.213831 0.213831 Sc\n0.000000 0.786169 0.786169 Sc\n0.000000 0.500000 0.500000 In\n0.000000 0.000000 0.000000 Tc\n",
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"formula_full": "Sc2 In1 Tc1",
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]
}