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"updated_at": "2021-11-28T01:38:20.441000Z",
"spacegroup": 2
},
{
"id": "mp-616616",
"created_at": "2022-09-04T14:46:00.559497Z",
"structure_string": "Sr30 Fe20 Bi20 O92\n1.0\n13.745759 -16.409030 0.000000\n13.745759 16.409030 0.000000\n0.000000 0.000000 5.546359\nSr Fe Bi O\n30 20 20 92\ndirect\n0.688463 0.210210 0.253087 Sr\n0.500000 0.000000 0.255108 Sr\n0.187176 0.907851 0.256567 Sr\n0.789790 0.311537 0.746913 Sr\n0.210210 0.688463 0.746913 Sr\n0.005310 0.280609 0.249649 Sr\n0.092149 0.812824 0.743433 Sr\n0.719391 0.994690 0.750351 Sr\n0.530174 0.787046 0.746324 Sr\n0.994690 0.719391 0.249649 Sr\n0.311537 0.789790 0.253087 Sr\n0.677895 0.431118 0.751121 Sr\n0.907851 0.187176 0.743433 Sr\n0.407174 0.894174 0.751347 Sr\n0.000000 0.500000 0.744892 Sr\n0.212954 0.469826 0.253676 Sr\n0.812824 0.092149 0.256567 Sr\n0.893229 0.625775 0.742207 Sr\n0.322105 0.568882 0.751121 Sr\n0.894174 0.407174 0.248653 Sr\n0.787046 0.530174 0.253676 Sr\n0.106771 0.374225 0.742207 Sr\n0.568882 0.322105 0.248879 Sr\n0.592826 0.105826 0.751347 Sr\n0.431118 0.677895 0.248879 Sr\n0.374225 0.106771 0.257793 Sr\n0.105826 0.592826 0.248653 Sr\n0.625775 0.893229 0.257793 Sr\n0.469826 0.212954 0.746324 Sr\n0.280609 0.005310 0.750351 Sr\n0.847516 0.249896 0.246383 Fe\n0.944545 0.563222 0.244660 Fe\n0.050566 0.655604 0.747847 Fe\n0.152484 0.750104 0.246383 Fe\n0.249896 0.847516 0.753617 Fe\n0.655604 0.050566 0.252153 Fe\n0.730258 0.372324 0.249496 Fe\n0.163237 0.530073 0.749363 Fe\n0.269742 0.627676 0.249496 Fe\n0.372324 0.730258 0.750504 Fe\n0.469927 0.836763 0.250637 Fe\n0.436778 0.055455 0.755340 Fe\n0.627676 0.269742 0.750504 Fe\n0.836763 0.469927 0.749363 Fe\n0.563222 0.944545 0.755340 Fe\n0.055455 0.436778 0.244660 Fe\n0.344396 0.949434 0.252153 Fe\n0.530073 0.163237 0.250637 Fe\n0.750104 0.152484 0.753617 Fe\n0.949434 0.344396 0.747847 Fe\n0.808773 0.912812 0.229630 Bi\n0.716480 0.624059 0.774277 Bi\n0.282796 0.183138 0.780809 Bi\n0.396891 0.481475 0.212048 Bi\n0.481475 0.396891 0.787952 Bi\n0.087188 0.191227 0.770370 Bi\n0.007508 0.899963 0.220165 Bi\n0.183138 0.282796 0.219191 Bi\n0.816862 0.717204 0.219191 Bi\n0.992492 0.100037 0.220165 Bi\n0.899963 0.007508 0.779835 Bi\n0.191227 0.087188 0.229630 Bi\n0.518525 0.603109 0.787952 Bi\n0.912812 0.808773 0.770370 Bi\n0.375941 0.283520 0.225723 Bi\n0.100037 0.992492 0.779835 Bi\n0.603109 0.518525 0.212048 Bi\n0.717204 0.816862 0.780809 Bi\n0.624059 0.716480 0.225723 Bi\n0.283520 0.375941 0.774277 Bi\n0.921840 0.813579 0.154565 O\n0.813579 0.921840 0.845435 O\n0.884629 0.523180 0.998894 O\n0.835905 0.069764 0.733374 O\n0.272535 0.170988 0.165564 O\n0.930236 0.164095 0.266626 O\n0.900737 0.012874 0.165923 O\n0.500000 0.000000 0.762120 O\n0.549389 0.639689 0.135520 O\n0.787992 0.309414 0.236056 O\n0.523180 0.884629 0.001106 O\n0.877039 0.650979 0.257414 O\n0.009583 0.382875 0.993439 O\n0.330834 0.669166 0.000000 O\n0.012874 0.900737 0.834077 O\n0.743763 0.974012 0.274360 O\n0.829012 0.727465 0.834436 O\n0.987126 0.099263 0.834077 O\n0.170988 0.272535 0.834436 O\n0.990417 0.617125 0.993439 O\n0.191648 0.808352 0.000000 O\n0.113767 0.478960 0.493236 O\n0.668882 0.461831 0.299385 O\n0.672247 0.327753 0.500000 O\n0.521040 0.886233 0.506764 O\n0.290808 0.904939 0.505548 O\n0.309414 0.787992 0.763944 O\n0.007824 0.384822 0.498091 O\n0.906623 0.288498 0.997498 O\n0.558005 0.441995 0.000000 O\n0.669166 0.330834 0.000000 O\n0.220521 0.575037 0.502985 O\n0.594298 0.107391 0.242554 O\n0.478960 0.113767 0.506764 O\n0.538169 0.331118 0.700615 O\n0.093377 0.711502 0.997498 O\n0.461831 0.668882 0.700615 O\n0.779479 0.424963 0.502985 O\n0.808352 0.191648 0.000000 O\n0.776573 0.557908 0.728998 O\n0.775997 0.428977 0.998365 O\n0.405702 0.892609 0.242554 O\n0.078160 0.186421 0.154565 O\n0.099263 0.987126 0.165923 O\n0.349021 0.122961 0.742586 O\n0.441995 0.558005 0.000000 O\n0.904939 0.290808 0.494452 O\n0.575037 0.220521 0.497015 O\n0.223427 0.442092 0.728998 O\n0.711502 0.093377 0.002502 O\n0.557908 0.776573 0.271002 O\n0.115371 0.476820 0.998894 O\n0.690586 0.212008 0.763944 O\n0.265113 0.360274 0.153132 O\n0.615178 0.992176 0.501909 O\n0.650979 0.877039 0.742586 O\n0.805378 0.194622 0.500000 O\n0.000000 0.500000 0.237880 O\n0.224003 0.571023 0.998365 O\n0.382875 0.009583 0.006561 O\n0.069764 0.835905 0.266626 O\n0.639689 0.549389 0.864480 O\n0.256237 0.025988 0.274360 O\n0.194622 0.805378 0.500000 O\n0.424963 0.779479 0.497015 O\n0.476820 0.115371 0.001106 O\n0.734887 0.639726 0.153132 O\n0.617125 0.990417 0.006561 O\n0.288498 0.906623 0.002502 O\n0.571023 0.224003 0.001635 O\n0.025988 0.256237 0.725640 O\n0.428977 0.775997 0.001635 O\n0.892609 0.405702 0.757446 O\n0.122961 0.349021 0.257414 O\n0.442092 0.223427 0.271002 O\n0.727465 0.829012 0.165564 O\n0.095061 0.709192 0.494452 O\n0.709192 0.095061 0.505548 O\n0.360311 0.450611 0.864480 O\n0.327753 0.672247 0.500000 O\n0.450611 0.360311 0.135520 O\n0.974012 0.743763 0.725640 O\n0.107391 0.594298 0.757446 O\n0.331118 0.538169 0.299385 O\n0.992176 0.615178 0.498091 O\n0.164095 0.930236 0.733374 O\n0.186421 0.078160 0.845435 O\n0.384822 0.007824 0.501909 O\n0.212008 0.690586 0.236056 O\n0.639726 0.734887 0.846868 O\n0.360274 0.265113 0.846868 O\n0.886233 0.521040 0.493236 O\n",
"nsites": 162,
"nelements": 4,
"elements": [
"Sr",
"Fe",
"Bi",
"O"
],
"chemical_system": "Bi-Fe-O-Sr",
"density": 6.2366469208269875,
"density_atomic": 0.06474785832618105,
"volume": 2502.013258629972,
"volume_molar": 9.300911127688874,
"formula_full": "Sr30 Fe20 Bi20 O92",
"formula_reduced": "Sr15Fe10(Bi5O23)2",
"formula_anonymous": "A10B10C15D46",
"energy": -1115.44459947,
"energy_per_atom": -6.885460490555555,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1007.12059947,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 96.001927,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:14.390000Z",
"spacegroup": 21
}
]
}