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{
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{
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"structure_string": "Ga4 H4 Cl8\n1.0\n6.173523 3.223298 0.000000\n-6.173523 3.223298 0.000000\n0.000000 0.483139 10.268114\nGa H Cl\n4 4 8\ndirect\n0.942357 0.673713 0.575725 Ga\n0.326287 0.057643 0.924275 Ga\n0.057643 0.326287 0.424275 Ga\n0.673713 0.942357 0.075725 Ga\n0.698292 0.579757 0.634139 H\n0.420243 0.301708 0.865861 H\n0.301708 0.420243 0.365861 H\n0.579757 0.698292 0.134139 H\n0.253267 0.030517 0.581253 Cl\n0.969483 0.746733 0.918747 Cl\n0.746733 0.969483 0.418747 Cl\n0.030517 0.253267 0.081253 Cl\n0.927551 0.560685 0.360138 Cl\n0.439315 0.072449 0.139862 Cl\n0.072449 0.439315 0.639862 Cl\n0.560685 0.927551 0.860138 Cl\n",
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"elements": [
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],
"chemical_system": "Cl-Ga-H",
"density": 2.302138339970366,
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"volume": 408.6525436984951,
"volume_molar": 15.38101962552743,
"formula_full": "Ga4 H4 Cl8",
"formula_reduced": "GaHCl2",
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"updated_at": "2021-11-28T01:35:27.689000Z",
"spacegroup": 15
},
{
"id": "mp-1196485",
"created_at": "2022-09-04T14:41:50.174055Z",
"structure_string": "Sm12 In4 S24\n1.0\n3.955164 0.000000 0.000000\n0.000000 13.725214 0.000000\n0.000000 0.000000 16.760294\nSm In S\n12 4 24\ndirect\n0.254659 0.037041 0.778336 Sm\n0.254659 0.962959 0.221664 Sm\n0.745341 0.462959 0.278336 Sm\n0.745341 0.537041 0.721664 Sm\n0.260953 0.247497 0.609562 Sm\n0.260953 0.752503 0.390438 Sm\n0.739047 0.252503 0.109562 Sm\n0.739047 0.747497 0.890438 Sm\n0.746657 0.309675 0.856435 Sm\n0.746657 0.690325 0.143565 Sm\n0.253343 0.190325 0.356435 Sm\n0.253343 0.809675 0.643565 Sm\n0.753603 0.000000 0.500000 In\n0.246397 0.500000 0.000000 In\n0.404351 0.500000 0.500000 In\n0.595649 0.000000 0.000000 In\n0.768782 0.396826 0.590854 S\n0.768782 0.603174 0.409146 S\n0.231218 0.103174 0.090854 S\n0.231218 0.896826 0.909146 S\n0.246118 0.310207 0.982030 S\n0.246118 0.689793 0.017970 S\n0.753882 0.189793 0.482030 S\n0.753882 0.810207 0.517970 S\n0.755067 0.108484 0.888686 S\n0.755067 0.891516 0.111314 S\n0.244933 0.391516 0.388686 S\n0.244933 0.608484 0.611314 S\n0.757898 0.178276 0.717622 S\n0.757898 0.821724 0.282378 S\n0.242102 0.321724 0.217622 S\n0.242102 0.678276 0.782378 S\n0.247936 0.386083 0.755475 S\n0.247936 0.613917 0.244525 S\n0.752064 0.113917 0.255475 S\n0.752064 0.886083 0.744525 S\n0.253750 0.020321 0.604888 S\n0.253750 0.979679 0.395112 S\n0.746250 0.479679 0.104888 S\n0.746250 0.520321 0.895112 S\n",
"nsites": 40,
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"elements": [
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],
"chemical_system": "In-S-Sm",
"density": 5.535769758666969,
"density_atomic": 0.043963750861367105,
"volume": 909.8404757622665,
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"formula_full": "Sm12 In4 S24",
"formula_reduced": "Sm3InS6",
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"energy": -246.5246405,
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"formation_energy": null,
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"energy_uncorrected": -234.4526405,
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"total_magnetization": 0.0017554,
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"updated_at": "2021-11-28T01:35:36.202000Z",
"spacegroup": 18
},
{
"id": "mp-780303",
"created_at": "2022-09-04T14:41:35.257572Z",
"structure_string": "Li4 Fe3 Sb1 O8\n1.0\n3.056264 5.234087 0.000000\n-3.056264 5.234087 0.000000\n0.000000 3.423471 5.049990\nLi Fe Sb O\n4 3 1 8\ndirect\n0.500000 0.500000 0.000000 Li\n0.000000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Li\n0.500000 0.000000 0.500000 Li\n0.500000 0.000000 0.000000 Fe\n0.500000 0.500000 0.500000 Fe\n0.000000 0.500000 0.000000 Fe\n0.000000 0.000000 0.500000 Sb\n0.267272 0.267272 0.749587 O\n0.754104 0.238323 0.272727 O\n0.769068 0.769068 0.728306 O\n0.732728 0.732728 0.250413 O\n0.238323 0.754104 0.272727 O\n0.245896 0.761677 0.727273 O\n0.230932 0.230932 0.271694 O\n0.761677 0.245896 0.727273 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
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"Fe",
"Sb",
"O"
],
"chemical_system": "Fe-Li-O-Sb",
"density": 4.574142440047263,
"density_atomic": 0.09903020221725382,
"volume": 161.5668719417434,
"volume_molar": 6.081115281162957,
"formula_full": "Li4 Fe3 Sb1 O8",
"formula_reduced": "Li4Fe3SbO8",
"formula_anonymous": "AB3C4D8",
"energy": -107.95218674,
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"updated_at": "2021-11-28T01:35:26.565000Z",
"spacegroup": 12
}
]
}