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{
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"elements": [
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"density_atomic": 0.11089083262520809,
"volume": 973.9308240656952,
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"formula_full": "Co3 Cu1 H56 S4 O44",
"formula_reduced": "Co3CuH56(SO11)4",
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"energy": -597.39422616,
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"updated_at": "2021-11-28T01:35:42.266000Z",
"spacegroup": 2
},
{
"id": "mp-1183752",
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"structure_string": "Co3 Cu1\n1.0\n-1.771097 1.771097 3.548230\n1.771097 -1.771097 3.548230\n1.771097 1.771097 -3.548230\nCo Cu\n3 1\ndirect\n0.750000 0.250000 0.500000 Co\n0.250000 0.750000 0.500000 Co\n0.500000 0.500000 0.000000 Co\n0.000000 0.000000 0.000000 Cu\n",
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"elements": [
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"density": 8.964556249616201,
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"volume": 44.52013264955726,
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"formula_full": "Co3 Cu1",
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"updated_at": "2021-11-28T01:34:44.053000Z",
"spacegroup": 139
},
{
"id": "mp-1183689",
"created_at": "2022-09-04T14:43:40.734691Z",
"structure_string": "Co3 Cl1\n1.0\n0.000000 2.930187 2.930187\n2.930187 0.000000 2.930187\n2.930187 2.930187 0.000000\nCo Cl\n3 1\ndirect\n0.250000 0.250000 0.250000 Co\n0.750000 0.750000 0.750000 Co\n0.500000 0.500000 0.500000 Co\n0.000000 0.000000 0.000000 Cl\n",
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"density": 7.004644167761582,
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"volume": 50.3171468725681,
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"updated_at": "2021-11-28T01:36:16.086000Z",
"spacegroup": 225
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{
"id": "mp-1247301",
"created_at": "2022-09-04T14:48:04.738548Z",
"structure_string": "Co3 C6 N9\n1.0\n3.085778 0.000000 0.000000\n-1.542889 2.672362 0.000000\n0.000000 0.000000 21.954032\nCo C N\n3 6 9\ndirect\n0.000000 0.348239 0.666667 Co\n0.348239 0.000000 0.333333 Co\n0.651761 0.651761 0.000000 Co\n0.009382 0.330944 0.223082 C\n0.321562 0.990618 0.889749 C\n0.669056 0.678438 0.556415 C\n0.990618 0.321562 0.110252 C\n0.330944 0.009382 0.776918 C\n0.678438 0.669056 0.443584 C\n0.000000 0.313968 0.166667 N\n0.313968 0.000000 0.833333 N\n0.686032 0.686032 0.500000 N\n0.015712 0.333876 0.278659 N\n0.318164 0.984288 0.945325 N\n0.666124 0.681836 0.611992 N\n0.984288 0.318164 0.054675 N\n0.333876 0.015712 0.721341 N\n0.681836 0.666124 0.388008 N\n",
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{
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{
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"elements": [
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"formula_full": "Co36 P24 O96",
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"updated_at": "2021-11-28T01:36:33.957000Z",
"spacegroup": 14
},
{
"id": "mp-685129",
"created_at": "2022-09-04T14:44:57.683844Z",
"structure_string": "Co34 Se40\n1.0\n-10.352740 0.000000 0.000000\n5.132607 9.435096 0.000000\n-0.155121 -4.080553 -11.679698\nCo Se\n34 40\ndirect\n0.903523 0.304033 0.194747 Co\n0.902118 0.303196 0.705809 Co\n0.055083 0.112761 0.388918 Co\n0.299997 0.101057 0.400404 Co\n0.031503 0.091241 0.893030 Co\n0.299583 0.099347 0.900127 Co\n0.455235 0.910804 0.589233 Co\n0.700003 0.898943 0.599596 Co\n0.429212 0.888920 0.090716 Co\n0.599458 0.699291 0.799728 Co\n0.700417 0.900653 0.099873 Co\n0.769209 0.509735 0.506046 Co\n0.853787 0.707276 0.786086 Co\n0.753216 0.489315 0.006167 Co\n0.096477 0.695967 0.805253 Co\n0.833332 0.695476 0.294830 Co\n0.097882 0.696804 0.294191 Co\n0.166668 0.304524 0.705170 Co\n0.246784 0.510685 0.993833 Co\n0.146213 0.292724 0.213914 Co\n0.500000 0.500000 0.000000 Co\n0.230791 0.490265 0.493954 Co\n0.400542 0.300709 0.200272 Co\n0.500000 0.500000 0.500000 Co\n0.570788 0.111080 0.909284 Co\n0.654722 0.305977 0.185157 Co\n0.544765 0.089196 0.410767 Co\n0.631588 0.295772 0.695648 Co\n0.800155 0.100575 0.400549 Co\n0.968497 0.908759 0.106970 Co\n0.944917 0.887239 0.611082 Co\n0.199845 0.899425 0.599451 Co\n0.368412 0.704228 0.304352 Co\n0.345278 0.694023 0.814843 Co\n0.619726 0.500587 0.165083 Se\n0.014701 0.302706 0.367564 Se\n0.169292 0.095831 0.734355 Se\n0.330276 0.897339 0.268763 Se\n0.416734 0.100989 0.567433 Se\n0.326162 0.900020 0.767678 Se\n0.472202 0.698948 0.632333 Se\n0.571131 0.899059 0.936062 Se\n0.729796 0.698486 0.469606 Se\n0.815900 0.900741 0.766859 Se\n0.470543 0.701170 0.129834 Se\n0.628993 0.502647 0.663269 Se\n0.727851 0.702282 0.967850 Se\n0.861646 0.497040 0.830182 Se\n0.966643 0.697488 0.134892 Se\n0.130838 0.498085 0.671563 Se\n0.213427 0.697442 0.969190 Se\n0.869162 0.501915 0.328437 Se\n0.033357 0.302512 0.865108 Se\n0.138354 0.502960 0.169818 Se\n0.272149 0.297718 0.032150 Se\n0.371007 0.497353 0.336731 Se\n0.529457 0.298830 0.870166 Se\n0.184100 0.099259 0.233141 Se\n0.270204 0.301514 0.530394 Se\n0.428869 0.100941 0.063938 Se\n0.527798 0.301052 0.367667 Se\n0.673838 0.099980 0.232322 Se\n0.768538 0.297792 0.536242 Se\n0.930863 0.099198 0.068885 Se\n0.583266 0.899011 0.432567 Se\n0.669724 0.102661 0.731237 Se\n0.830708 0.904169 0.265645 Se\n0.928339 0.102740 0.568296 Se\n0.071661 0.897260 0.431704 Se\n0.985299 0.697294 0.632436 Se\n0.069137 0.900802 0.931115 Se\n0.231462 0.702208 0.463758 Se\n0.380274 0.499413 0.834917 Se\n0.786573 0.302558 0.030810 Se\n",
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"elements": [
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"volume": 1140.8623394253868,
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"formula_full": "Co34 Se40",
"formula_reduced": "Co17Se20",
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"updated_at": "2021-11-28T01:36:44.976000Z",
"spacegroup": 2
}
]
}