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{
"id": "mp-1178549",
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{
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"structure_string": "Nb4 Ni4 B8\n1.0\n0.000000 -3.128865 0.000000\n-6.049310 0.000000 0.000000\n0.000000 0.000000 -8.210345\nNb Ni B\n4 4 8\ndirect\n0.750000 0.367777 0.632698 Nb\n0.750000 0.867777 0.867302 Nb\n0.250000 0.632223 0.367302 Nb\n0.250000 0.132223 0.132698 Nb\n0.750000 0.501022 0.115140 Ni\n0.750000 0.001022 0.384860 Ni\n0.250000 0.498978 0.884860 Ni\n0.250000 0.998978 0.615140 Ni\n0.750000 0.258755 0.923132 B\n0.750000 0.758755 0.576868 B\n0.250000 0.741245 0.076868 B\n0.250000 0.241245 0.423132 B\n0.750000 0.329089 0.332958 B\n0.750000 0.829089 0.167042 B\n0.250000 0.670911 0.667042 B\n0.250000 0.170911 0.832958 B\n",
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"spacegroup": 62
},
{
"id": "mp-1193061",
"created_at": "2022-09-04T14:45:28.201382Z",
"structure_string": "Mn2 Ni21 B6\n1.0\n0.000000 5.202650 5.202650\n5.202650 0.000000 5.202650\n5.202650 5.202650 0.000000\nMn Ni B\n2 21 6\ndirect\n0.750000 0.750000 0.750000 Mn\n0.250000 0.250000 0.250000 Mn\n0.000000 0.000000 0.000000 Ni\n0.619232 0.619232 0.142303 Ni\n0.619232 0.142303 0.619232 Ni\n0.142303 0.619232 0.619232 Ni\n0.619232 0.619232 0.619232 Ni\n0.380768 0.380768 0.857697 Ni\n0.380768 0.857697 0.380768 Ni\n0.857697 0.380768 0.380768 Ni\n0.380768 0.380768 0.380768 Ni\n0.000000 0.000000 0.340263 Ni\n0.659737 0.000000 0.340263 Ni\n0.000000 0.659737 0.340263 Ni\n0.659737 0.340263 0.000000 Ni\n0.000000 0.340263 0.000000 Ni\n0.000000 0.340263 0.659737 Ni\n0.340263 0.659737 0.000000 Ni\n0.340263 0.000000 0.659737 Ni\n0.340263 0.000000 0.000000 Ni\n0.000000 0.000000 0.659737 Ni\n0.000000 0.659737 0.000000 Ni\n0.659737 0.000000 0.000000 Ni\n0.730484 0.730484 0.269516 B\n0.269516 0.730484 0.269516 B\n0.730484 0.269516 0.269516 B\n0.269516 0.269516 0.730484 B\n0.730484 0.269516 0.730484 B\n0.269516 0.730484 0.730484 B\n",
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"density": 8.297228210171687,
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"volume": 281.64615513921933,
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{
"id": "mp-755508",
"created_at": "2022-09-04T14:44:08.905645Z",
"structure_string": "Co8 O16\n1.0\n2.805019 -4.858436 0.000000\n2.805019 4.858436 0.000000\n0.000000 0.000000 8.551685\nCo O\n8 16\ndirect\n0.167358 0.832642 0.211095 Co\n0.333333 0.666667 0.485411 Co\n0.167358 0.334715 0.211095 Co\n0.665285 0.832642 0.211095 Co\n0.334715 0.167358 0.711095 Co\n0.666667 0.333333 0.985411 Co\n0.832642 0.665285 0.711095 Co\n0.832642 0.167358 0.711095 Co\n0.163627 0.836373 0.601973 O\n0.041567 0.520783 0.340931 O\n0.333333 0.666667 0.099035 O\n0.000000 0.000000 0.318464 O\n0.000000 0.000000 0.818464 O\n0.163627 0.327255 0.601973 O\n0.479217 0.958433 0.340931 O\n0.479217 0.520783 0.340931 O\n0.327255 0.163627 0.101973 O\n0.672745 0.836373 0.601973 O\n0.520783 0.479217 0.840931 O\n0.520783 0.041567 0.840931 O\n0.666667 0.333333 0.599035 O\n0.836373 0.672745 0.101973 O\n0.958433 0.479217 0.840931 O\n0.836373 0.163627 0.101973 O\n",
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"density": 5.182529935579118,
"density_atomic": 0.10296680978710519,
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"formula_full": "Co8 O16",
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"updated_at": "2021-11-28T01:36:31.670000Z",
"spacegroup": 186
},
{
"id": "mp-754912",
"created_at": "2022-09-04T14:46:03.242557Z",
"structure_string": "Li1 Cu1 O2\n1.0\n1.484231 -2.570763 0.000000\n1.484231 2.570763 0.000000\n0.000000 0.000000 5.090450\nLi Cu O\n1 1 2\ndirect\n0.000000 0.000000 0.596475 Li\n0.333333 0.666667 0.027457 Cu\n0.666667 0.333333 0.799763 O\n0.000000 0.000000 0.225305 O\n",
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{
"id": "mp-1046785",
"created_at": "2022-09-04T14:43:21.453435Z",
"structure_string": "Zn2 Cu8 O12\n1.0\n1.470215 -4.913419 0.000000\n1.470215 4.913419 0.000000\n0.000000 0.000000 14.788026\nZn Cu O\n2 8 12\ndirect\n0.340142 0.659858 0.750000 Zn\n0.659858 0.340142 0.250000 Zn\n0.137536 0.862464 0.044465 Cu\n0.593860 0.406140 0.635149 Cu\n0.862464 0.137536 0.955535 Cu\n0.406140 0.593860 0.364851 Cu\n0.137536 0.862464 0.455535 Cu\n0.862464 0.137536 0.544465 Cu\n0.406140 0.593860 0.135149 Cu\n0.593860 0.406140 0.864851 Cu\n0.500000 0.500000 0.500000 O\n0.500000 0.500000 0.000000 O\n0.951899 0.048101 0.841264 O\n0.048101 0.951899 0.158736 O\n0.048101 0.951899 0.341264 O\n0.951899 0.048101 0.658736 O\n0.214615 0.785385 0.922796 O\n0.785385 0.214615 0.077204 O\n0.785385 0.214615 0.422796 O\n0.214615 0.785385 0.577204 O\n0.697732 0.302268 0.750000 O\n0.302268 0.697732 0.250000 O\n",
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{
"id": "mp-27920",
"created_at": "2022-09-04T14:45:27.794521Z",
"structure_string": "Li16 Co2 O12\n1.0\n2.778035 -4.811698 0.000000\n2.778035 4.811698 0.000000\n0.000000 0.000000 10.897733\nLi Co O\n16 2 12\ndirect\n0.687525 0.000000 0.767740 Li\n0.687525 0.687525 0.267740 Li\n0.000000 0.312475 0.267740 Li\n0.000000 0.687525 0.767740 Li\n0.312475 0.312475 0.767740 Li\n0.312475 0.000000 0.267740 Li\n0.611434 0.000000 0.127416 Li\n0.611434 0.611434 0.627416 Li\n0.000000 0.388566 0.627416 Li\n0.000000 0.611434 0.127416 Li\n0.388566 0.388566 0.127416 Li\n0.388566 0.000000 0.627416 Li\n0.666667 0.333333 0.406993 Li\n0.333333 0.666667 0.906993 Li\n0.333333 0.666667 0.406993 Li\n0.666667 0.333333 0.906993 Li\n0.000000 0.000000 0.495992 Co\n0.000000 0.000000 0.995992 Co\n0.690477 0.000000 0.949153 O\n0.690477 0.690477 0.449153 O\n0.000000 0.309523 0.449153 O\n0.000000 0.690477 0.949153 O\n0.309523 0.309523 0.949153 O\n0.309523 0.000000 0.449153 O\n0.666667 0.333333 0.216790 O\n0.000000 0.000000 0.165520 O\n0.666667 0.333333 0.716790 O\n0.333333 0.666667 0.216790 O\n0.000000 0.000000 0.665520 O\n0.333333 0.666667 0.716790 O\n",
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{
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"structure_string": "Mn4 Al1 Cu3 O12\n1.0\n-3.648233 3.648233 3.648233\n3.648233 -3.648233 3.648233\n3.648233 3.648233 -3.648233\nMn Al Cu O\n4 1 3 12\ndirect\n0.000000 0.000000 0.500000 Mn\n0.000000 0.500000 0.000000 Mn\n0.500000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 Mn\n0.000000 0.000000 0.000000 Al\n0.000000 0.500000 0.500000 Cu\n0.500000 0.000000 0.500000 Cu\n0.500000 0.500000 0.000000 Cu\n0.293379 0.122335 0.828956 O\n0.706621 0.877665 0.171044 O\n0.706621 0.535577 0.828956 O\n0.464423 0.171044 0.293379 O\n0.171044 0.293379 0.464423 O\n0.828956 0.293379 0.122335 O\n0.877665 0.171044 0.706621 O\n0.828956 0.706621 0.535577 O\n0.293379 0.464423 0.171044 O\n0.535577 0.828956 0.706621 O\n0.171044 0.706621 0.877665 O\n0.122335 0.828956 0.293379 O\n",
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{
"id": "mp-1235198",
"created_at": "2022-09-04T14:47:57.298655Z",
"structure_string": "Li1 V4 Ge4 O16\n1.0\n4.426916 0.010608 -0.284736\n0.011582 4.736111 -0.003372\n0.823798 -0.006342 11.526696\nLi V Ge O\n1 4 4 16\ndirect\n0.501515 0.255659 0.437123 Li\n0.003189 0.759672 0.566717 V\n0.499052 0.750905 0.068594 V\n0.498891 0.249863 0.930605 V\n0.000444 0.237608 0.434754 V\n0.002222 0.749289 0.820302 Ge\n0.503644 0.255227 0.682656 Ge\n0.497368 0.746099 0.316026 Ge\n0.995166 0.252483 0.178993 Ge\n0.233805 0.082193 0.308364 O\n0.252306 0.581419 0.435036 O\n0.248444 0.077617 0.062936 O\n0.266868 0.081468 0.564158 O\n0.266781 0.582085 0.190916 O\n0.274426 0.081143 0.808654 O\n0.225394 0.580128 0.692389 O\n0.248436 0.577188 0.938354 O\n0.749125 0.423784 0.061976 O\n0.761048 0.414838 0.307706 O\n0.729379 0.917555 0.190968 O\n0.727517 0.420171 0.808746 O\n0.739826 0.913005 0.435184 O\n0.751492 0.923615 0.937934 O\n0.745794 0.415540 0.561549 O\n0.777871 0.921445 0.692691 O\n",
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{
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{
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"volume": 155.37822504872096,
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"formula_full": "Mg6 Fe1 Ni1 O8",
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{
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}