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{
"id": "mp-1215087",
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"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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{
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{
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"structure_string": "Mg2 Cu1 Ag1\n1.0\n-5.254831 5.791568 8.189744\n5.254831 -5.791568 8.189744\n5.254831 5.791568 -8.189744\nMg Cu Ag\n2 1 1\ndirect\n0.000000 0.247953 0.247953 Mg\n0.000000 0.752047 0.752047 Mg\n0.000000 0.000000 0.000000 Cu\n0.000000 0.500000 0.500000 Ag\n",
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"volume": 996.9772103695315,
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"formula_full": "Mg2 Cu1 Ag1",
"formula_reduced": "Mg2CuAg",
"formula_anonymous": "ABC2",
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{
"id": "mp-1206277",
"created_at": "2022-09-04T14:42:53.534180Z",
"structure_string": "Tb2 Zn1 Sb3\n1.0\n9.202676 0.000000 0.000000\n0.000000 9.202676 0.000000\n0.000000 0.000000 40.040695\nTb Zn Sb\n2 1 3\ndirect\n0.500000 0.500000 0.243068 Tb\n0.500000 0.500000 0.756932 Tb\n0.500000 0.500000 0.500000 Zn\n0.500000 0.500000 0.691061 Sb\n0.500000 0.500000 0.308939 Sb\n0.500000 0.500000 0.000000 Sb\n",
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"elements": [
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"chemical_system": "Sb-Tb-Zn",
"density": 0.36655071006493717,
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"volume": 3391.016251287144,
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"formula_full": "Tb2 Zn1 Sb3",
"formula_reduced": "Tb2ZnSb3",
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},
{
"id": "mp-1095789",
"created_at": "2022-09-04T14:46:54.738068Z",
"structure_string": "Sc2 Zn1 In1\n1.0\n-5.782737 6.157690 8.590340\n5.782737 -6.157690 8.590340\n5.782737 6.157690 -8.590340\nSc Zn In\n2 1 1\ndirect\n0.000000 0.247533 0.247533 Sc\n0.000000 0.752467 0.752467 Sc\n0.000000 0.000000 0.000000 Zn\n0.000000 0.500000 0.500000 In\n",
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"formula_full": "Sc2 Zn1 In1",
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"updated_at": "2021-11-28T01:37:51.035000Z",
"spacegroup": 71
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{
"id": "mp-1182718",
"created_at": "2022-09-04T14:45:29.627484Z",
"structure_string": "Fe2 Bi2 O6\n1.0\n11.516842 12.585135 0.000000\n-11.516842 12.585135 0.000000\n0.000000 4.463521 9.770188\nFe Bi O\n2 2 6\ndirect\n0.544955 0.544934 0.272533 Fe\n0.544934 0.544955 0.772533 Fe\n0.004085 0.000846 0.501106 Bi\n0.000846 0.004085 0.001106 Bi\n0.411253 0.104117 0.751390 O\n0.104117 0.411253 0.251390 O\n0.006109 0.411211 0.947716 O\n0.005460 0.099789 0.060445 O\n0.099789 0.005460 0.560445 O\n0.411211 0.006109 0.447716 O\n",
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"elements": [
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"O"
],
"chemical_system": "Bi-Fe-O",
"density": 0.36682117626364136,
"density_atomic": 0.0035308217761892313,
"volume": 2832.201859475577,
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"formula_full": "Fe2 Bi2 O6",
"formula_reduced": "FeBiO3",
"formula_anonymous": "ABC3",
"energy": -37.0158609,
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"updated_at": "2021-11-28T01:37:03.859000Z",
"spacegroup": 9
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{
"id": "mp-1097246",
"created_at": "2022-09-04T14:41:21.244488Z",
"structure_string": "Sr2 Zn1 In1\n1.0\n-6.628002 6.661720 9.109885\n6.628002 -6.661720 9.109885\n6.628002 6.661720 -9.109885\nSr Zn In\n2 1 1\ndirect\n0.258129 0.000000 0.258129 Sr\n0.741871 0.000000 0.741871 Sr\n0.000000 0.000000 0.000000 Zn\n0.500000 0.000000 0.500000 In\n",
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"volume": 1608.9475677455512,
"volume_molar": 242.2327182105836,
"formula_full": "Sr2 Zn1 In1",
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"updated_at": "2021-11-28T01:35:28.117000Z",
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{
"id": "mp-1206934",
"created_at": "2022-09-04T14:45:42.884688Z",
"structure_string": "Dy2 Ag1 Sb3\n1.0\n9.554841 0.000000 0.000000\n0.000000 9.554841 0.000000\n0.000000 0.000000 39.506722\nDy Ag Sb\n2 1 3\ndirect\n0.500000 0.500000 0.242787 Dy\n0.500000 0.500000 0.757213 Dy\n0.500000 0.500000 0.500000 Ag\n0.500000 0.500000 0.690646 Sb\n0.500000 0.500000 0.309354 Sb\n0.500000 0.500000 0.000000 Sb\n",
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"volume": 3606.76565304309,
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"formula_full": "Dy2 Ag1 Sb3",
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"formula_anonymous": "AB2C3",
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"updated_at": "2021-11-28T01:37:18.620000Z",
"spacegroup": 123
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{
"id": "mp-1097202",
"created_at": "2022-09-04T14:48:09.877783Z",
"structure_string": "Ca2 Tl1 Zn1\n1.0\n-6.193555 6.719364 9.495983\n6.193555 -6.719364 9.495983\n6.193555 6.719364 -9.495983\nCa Tl Zn\n2 1 1\ndirect\n0.000000 0.254856 0.254856 Ca\n0.000000 0.745144 0.745144 Ca\n0.000000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Zn\n",
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"density": 0.3676079533722175,
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"volume": 1580.767821015742,
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"formula_full": "Ca2 Tl1 Zn1",
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"updated_at": "2021-11-28T01:38:25.812000Z",
"spacegroup": 71
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{
"id": "mp-1096073",
"created_at": "2022-09-04T14:43:44.408214Z",
"structure_string": "Sr2 Zn1 Ge1\n1.0\n-6.286119 6.314879 8.886604\n6.286119 -6.314879 8.886604\n6.286119 6.314879 -8.886604\nSr Zn Ge\n2 1 1\ndirect\n0.000000 0.270785 0.270785 Sr\n0.000000 0.729215 0.729215 Sr\n0.000000 0.000000 0.000000 Zn\n0.000000 0.500000 0.500000 Ge\n",
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"formula_full": "Sr2 Zn1 Ge1",
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{
"id": "mp-1206390",
"created_at": "2022-09-04T14:43:46.172400Z",
"structure_string": "Sm2 Ag1 Sb3\n1.0\n9.256600 0.000000 0.000000\n0.000000 9.256600 0.000000\n0.000000 0.000000 40.654644\nSm Ag Sb\n2 1 3\ndirect\n0.500000 0.500000 0.242809 Sm\n0.500000 0.500000 0.757191 Sm\n0.500000 0.500000 0.500000 Ag\n0.500000 0.500000 0.690803 Sb\n0.500000 0.500000 0.309197 Sb\n0.500000 0.500000 0.000000 Sb\n",
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{
"id": "mp-1097124",
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"updated_at": "2021-11-28T01:35:23.824000Z",
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]
}