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"structure_string": "Sb2 H6 C4 O8 F12\n1.0\n4.758001 4.481604 -4.263357\n-4.758001 4.481604 4.263357\n-0.034685 0.000000 8.502744\nSb H C O F\n2 6 4 8 12\ndirect\n0.142240 0.140330 0.503334 Sb\n0.859669 0.857760 0.003334 Sb\n0.430950 0.065554 0.971394 H\n0.934445 0.569050 0.471394 H\n0.620080 0.102821 0.478072 H\n0.897178 0.379919 0.978072 H\n0.383773 0.597888 0.313199 H\n0.402111 0.616226 0.813199 H\n0.522546 0.070753 0.232092 C\n0.929247 0.477453 0.732092 C\n0.488662 0.838043 0.357571 C\n0.161957 0.511337 0.857571 C\n0.236140 0.468327 0.042318 O\n0.531672 0.763859 0.542318 O\n0.250974 0.587184 0.736315 O\n0.412814 0.749025 0.236315 O\n0.818318 0.407457 0.824248 O\n0.592542 0.181682 0.324248 O\n0.840385 0.515725 0.538592 O\n0.484274 0.159615 0.038592 O\n0.043821 0.236784 0.601517 F\n0.763215 0.956179 0.101517 F\n0.244618 0.038941 0.413728 F\n0.961058 0.755381 0.913728 F\n0.332099 0.980829 0.797689 F\n0.019170 0.667900 0.297690 F\n0.946764 0.306044 0.215360 F\n0.693956 0.053235 0.715360 F\n0.938545 0.916547 0.518199 F\n0.083452 0.061454 0.018199 F\n0.349023 0.363298 0.489973 F\n0.636702 0.650976 0.989973 F\n",
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"elements": [
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],
"chemical_system": "C-F-H-O-Sb",
"density": 3.003968576630994,
"density_atomic": 0.08857133841630746,
"volume": 361.29069033135744,
"volume_molar": 6.799198101415642,
"formula_full": "Sb2 H6 C4 O8 F12",
"formula_reduced": "SbH3C2(O2F3)2",
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"spacegroup": 9
},
{
"id": "jvasp-98311",
"created_at": "2022-09-04T14:36:20.875758Z",
"updated_at": "2022-09-04T14:36:20.875775Z",
"structure_string": "Fe8 Te4 O20\n1.0\n4.859618 0.000000 0.000000\n0.000000 7.634933 -1.621115\n0.000000 0.128571 10.649135\nFe Te O\n8 4 20\ndirect\n0.052488 0.811917 0.909558 Fe\n0.947513 0.188082 0.090442 Fe\n0.552488 0.188082 0.590441 Fe\n0.432322 0.981887 0.131304 Fe\n0.567678 0.018113 0.868695 Fe\n0.067678 0.981887 0.631304 Fe\n0.447513 0.811917 0.409558 Fe\n0.932322 0.018113 0.368696 Fe\n0.428356 0.361282 0.335453 Te\n0.571645 0.638717 0.664547 Te\n0.071644 0.361282 0.835453 Te\n0.928356 0.638717 0.164547 Te\n0.263406 0.062660 0.987081 O\n0.763406 0.937340 0.512919 O\n0.293990 0.739538 0.564819 O\n0.378313 0.082411 0.731331 O\n0.624858 0.578124 0.341120 O\n0.101154 0.758812 0.317832 O\n0.898847 0.241187 0.682168 O\n0.793990 0.260461 0.935181 O\n0.601154 0.241187 0.182169 O\n0.206010 0.739538 0.064819 O\n0.124857 0.421876 0.158881 O\n0.736595 0.937340 0.012919 O\n0.375143 0.421876 0.658880 O\n0.875143 0.578124 0.841119 O\n0.398846 0.758812 0.817831 O\n0.236595 0.062660 0.487081 O\n0.706010 0.260462 0.435181 O\n0.878314 0.917589 0.768668 O\n0.121687 0.082411 0.231331 O\n0.621687 0.917589 0.268669 O\n",
"nsites": 32,
"nelements": 3,
"elements": [
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"Te",
"O"
],
"chemical_system": "Fe-O-Te",
"density": 5.353733274662609,
"density_atomic": 0.0807823315892116,
"volume": 396.1262242680003,
"volume_molar": 7.454774628966331,
"formula_full": "Fe8 Te4 O20",
"formula_reduced": "Fe2TeO5",
"formula_anonymous": "AB2C5",
"energy_above_hull": 2.733298283333333,
"spacegroup": 14
},
{
"id": "jvasp-97520",
"created_at": "2022-09-04T14:36:18.011066Z",
"updated_at": "2022-09-04T14:36:18.011098Z",
"structure_string": "Li10 H18 Pt4\n1.0\n-4.159284 4.159284 4.231641\n4.159284 -4.159284 4.231641\n4.159284 4.159284 -4.231641\nLi H Pt\n10 18 4\ndirect\n0.692379 0.192380 0.202502 Li\n0.500000 0.500000 0.000000 Li\n0.510122 0.307620 0.499999 Li\n0.807620 0.010122 0.499999 Li\n0.010122 0.510122 0.202502 Li\n0.000000 0.000000 0.000000 Li\n0.489878 0.692379 0.499999 Li\n0.192380 0.989877 0.499999 Li\n0.989877 0.489878 0.797497 Li\n0.307620 0.807620 0.797497 Li\n0.062909 0.910833 0.699953 H\n0.000000 0.499999 0.499999 H\n0.499999 0.000000 0.499999 H\n0.910833 0.210880 0.847923 H\n0.362955 0.062909 0.152076 H\n0.862955 0.710880 0.300046 H\n0.410833 0.562909 0.699953 H\n0.210880 0.362955 0.300046 H\n0.710879 0.410833 0.847923 H\n0.137044 0.289120 0.699953 H\n0.089167 0.789120 0.152076 H\n0.637044 0.937090 0.847923 H\n0.589166 0.437091 0.300046 H\n0.789120 0.637044 0.699953 H\n0.937090 0.089167 0.300046 H\n0.289120 0.589166 0.152076 H\n0.437090 0.137044 0.847923 H\n0.562909 0.862955 0.152076 H\n0.159253 0.340747 0.499999 Pt\n0.659252 0.159253 0.818505 Pt\n0.340747 0.840747 0.181494 Pt\n0.840747 0.659252 0.499999 Pt\n",
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"nelements": 3,
"elements": [
"Li",
"H",
"Pt"
],
"chemical_system": "H-Li-Pt",
"density": 4.921610982265912,
"density_atomic": 0.10928083879272356,
"volume": 292.82352106296895,
"volume_molar": 5.510701442750074,
"formula_full": "Li10 H18 Pt4",
"formula_reduced": "Li5H9Pt2",
"formula_anonymous": "A2B5C9",
"energy_above_hull": 2.457208925,
"spacegroup": 140
}
]
}