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{
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{
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"structure_string": "Na4 Bi4 C8 S2 O32\n1.0\n0.000000 7.460383 7.655136\n7.238286 0.000000 7.655136\n7.238286 7.460383 0.000000\nNa Bi C S O\n4 4 8 2 32\ndirect\n0.290527 0.709473 0.709473 Na\n0.709473 0.290527 0.290527 Na\n0.540527 0.959473 0.959473 Na\n0.959473 0.540527 0.540527 Na\n0.125000 0.125000 0.625000 Bi\n0.125000 0.125000 0.125000 Bi\n0.625000 0.125000 0.125000 Bi\n0.125000 0.625000 0.125000 Bi\n0.279194 0.899792 0.908895 C\n0.899792 0.279194 0.912119 C\n0.908895 0.912119 0.279194 C\n0.912119 0.908895 0.899792 C\n0.337881 0.341105 0.350208 C\n0.341105 0.337881 0.970806 C\n0.350208 0.970806 0.337881 C\n0.970806 0.350207 0.341105 C\n0.500000 0.500000 0.500000 S\n0.750000 0.750000 0.750000 S\n0.273823 0.913371 0.780562 O\n0.272729 0.777426 0.025217 O\n0.913371 0.273823 0.032244 O\n0.777426 0.272729 0.924628 O\n0.239648 0.957382 0.472485 O\n0.025217 0.924628 0.272729 O\n0.957382 0.239648 0.330486 O\n0.919514 0.777515 0.292618 O\n0.780562 0.032244 0.273823 O\n0.559539 0.552901 0.326957 O\n0.472485 0.330486 0.239648 O\n0.923043 0.689397 0.690461 O\n0.924628 0.025217 0.777426 O\n0.032244 0.780562 0.913371 O\n0.552901 0.559539 0.560603 O\n0.560603 0.326957 0.552901 O\n0.689397 0.923043 0.697099 O\n0.697099 0.690461 0.689397 O\n0.217756 0.469438 0.336629 O\n0.325372 0.224783 0.472574 O\n0.326957 0.560603 0.559539 O\n0.777516 0.919514 0.010352 O\n0.690461 0.697099 0.923043 O\n0.469438 0.217756 0.976177 O\n0.330486 0.472485 0.957382 O\n0.292618 0.010352 0.919514 O\n0.224783 0.325372 0.977271 O\n0.010352 0.292618 0.777515 O\n0.472574 0.977271 0.325372 O\n0.336629 0.976177 0.217756 O\n0.977271 0.472574 0.224783 O\n0.976177 0.336629 0.469438 O\n",
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{
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{
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},
{
"id": "mp-1245726",
"created_at": "2022-09-04T14:42:02.443019Z",
"structure_string": "Cr2 Co6 N6\n1.0\n6.383754 0.063485 0.000000\n-3.136760 5.465817 0.000000\n0.000000 0.000000 3.876195\nCr Co N\n2 6 6\ndirect\n0.664389 0.332851 0.750000 Cr\n0.335611 0.667149 0.250000 Cr\n0.822694 0.640578 0.250000 Co\n0.821714 0.180707 0.250000 Co\n0.360577 0.179957 0.250000 Co\n0.177306 0.359422 0.750000 Co\n0.178286 0.819293 0.750000 Co\n0.639423 0.820043 0.750000 Co\n0.831543 0.660678 0.750000 N\n0.830511 0.169732 0.750000 N\n0.340078 0.170359 0.750000 N\n0.168457 0.339322 0.250000 N\n0.169489 0.830268 0.250000 N\n0.659922 0.829641 0.250000 N\n",
"nsites": 14,
"nelements": 3,
"elements": [
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"Co",
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],
"chemical_system": "Co-Cr-N",
"density": 6.612180066106271,
"density_atomic": 0.1029247071828667,
"volume": 136.02176176344275,
"volume_molar": 5.851015684018844,
"formula_full": "Cr2 Co6 N6",
"formula_reduced": "Cr(CoN)3",
"formula_anonymous": "AB3C3",
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"spacegroup": 63
},
{
"id": "mp-1189735",
"created_at": "2022-09-04T14:42:02.511658Z",
"structure_string": "Er3 Ga6 Co9\n1.0\n8.927532 0.000000 0.000000\n-4.463766 7.731470 0.000000\n0.000000 0.000000 3.836600\nEr Ga Co\n3 6 9\ndirect\n0.000000 0.000000 0.000000 Er\n0.666667 0.333333 0.500000 Er\n0.333333 0.666667 0.500000 Er\n0.684797 0.684797 0.500000 Ga\n0.315203 0.000000 0.500000 Ga\n0.000000 0.315203 0.500000 Ga\n0.315203 0.315203 0.500000 Ga\n0.684797 0.000000 0.500000 Ga\n0.000000 0.684797 0.500000 Ga\n0.500000 0.500000 0.000000 Co\n0.500000 0.000000 0.000000 Co\n0.000000 0.500000 0.000000 Co\n0.816813 0.183187 0.000000 Co\n0.816813 0.633625 0.000000 Co\n0.366375 0.183187 0.000000 Co\n0.183187 0.816813 0.000000 Co\n0.633625 0.816813 0.000000 Co\n0.183187 0.366375 0.000000 Co\n",
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"elements": [
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],
"chemical_system": "Co-Er-Ga",
"density": 9.095591264479834,
"density_atomic": 0.06797238240343015,
"volume": 264.8134339792046,
"volume_molar": 8.859687636454096,
"formula_full": "Er3 Ga6 Co9",
"formula_reduced": "ErGa2Co3",
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"updated_at": "2021-11-28T01:35:39.097000Z",
"spacegroup": 191
}
]
}