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{
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"results": [
{
"id": "mp-26065",
"created_at": "2022-09-04T14:44:16.191135Z",
"structure_string": "Li4 Mn24 P4 O48\n1.0\n-4.729294 4.729294 9.444917\n4.729294 -4.729294 9.444917\n4.729294 4.729294 -9.444917\nLi Mn P O\n4 24 4 48\ndirect\n0.250000 0.250000 0.000000 Li\n0.000000 0.500000 0.500000 Li\n0.750000 0.750000 0.000000 Li\n0.500000 0.000000 0.500000 Li\n0.875000 0.625000 0.750000 Mn\n0.875000 0.125000 0.250000 Mn\n0.984488 0.515512 0.000000 Mn\n0.125000 0.398097 0.773097 Mn\n0.875000 0.125000 0.750000 Mn\n0.125000 0.898097 0.273097 Mn\n0.875000 0.625000 0.250000 Mn\n0.015512 0.015512 0.531024 Mn\n0.101903 0.375000 0.226903 Mn\n0.375000 0.625000 0.250000 Mn\n0.375000 0.125000 0.750000 Mn\n0.148097 0.875000 0.773097 Mn\n0.234488 0.265512 0.500000 Mn\n0.484488 0.484488 0.468976 Mn\n0.375000 0.125000 0.250000 Mn\n0.625000 0.351903 0.226903 Mn\n0.375000 0.625000 0.750000 Mn\n0.625000 0.851903 0.726903 Mn\n0.265512 0.765512 0.031024 Mn\n0.515512 0.984488 0.000000 Mn\n0.601903 0.375000 0.726903 Mn\n0.648097 0.875000 0.273097 Mn\n0.734488 0.234488 0.968976 Mn\n0.765512 0.734488 0.500000 Mn\n0.250000 0.750000 0.500000 P\n0.000000 0.000000 0.000000 P\n0.750000 0.250000 0.500000 P\n0.500000 0.500000 0.000000 P\n0.882952 0.398027 0.687450 O\n0.965388 0.704677 0.022708 O\n0.966118 0.989839 0.317095 O\n0.899024 0.422745 0.182905 O\n0.010161 0.327255 0.976279 O\n0.172745 0.489839 0.023721 O\n0.181968 0.204677 0.739289 O\n0.057321 0.034612 0.739289 O\n0.954677 0.715388 0.522708 O\n0.101973 0.617048 0.312550 O\n0.945502 0.132952 0.984925 O\n0.210577 0.898027 0.515075 O\n0.382952 0.695502 0.484925 O\n0.039423 0.054498 0.187450 O\n0.148027 0.960577 0.015075 O\n0.304498 0.789423 0.687450 O\n0.192679 0.431968 0.477292 O\n0.295323 0.318032 0.260711 O\n0.068032 0.307321 0.522708 O\n0.465388 0.442679 0.260711 O\n0.466118 0.149024 0.976279 O\n0.077255 0.600976 0.817095 O\n0.350976 0.033882 0.023721 O\n0.239839 0.716118 0.817095 O\n0.399024 0.216118 0.476279 O\n0.510161 0.533882 0.682905 O\n0.672745 0.649024 0.682905 O\n0.283882 0.100976 0.523721 O\n0.681968 0.942679 0.977292 O\n0.284612 0.807321 0.239289 O\n0.454677 0.931968 0.239289 O\n0.557321 0.818032 0.022708 O\n0.445502 0.460577 0.812550 O\n0.601973 0.289423 0.484925 O\n0.710577 0.195502 0.312550 O\n0.367048 0.554498 0.015075 O\n0.539423 0.351973 0.984925 O\n0.804498 0.117048 0.515075 O\n0.648027 0.632952 0.187450 O\n0.692679 0.215388 0.760711 O\n0.795323 0.534612 0.977292 O\n0.568032 0.045323 0.760711 O\n0.577255 0.760161 0.476279 O\n0.739839 0.922745 0.523721 O\n0.850976 0.827255 0.317095 O\n0.783882 0.260161 0.182905 O\n0.784612 0.545323 0.477292 O\n0.867048 0.851973 0.812550 O\n",
"nsites": 80,
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"elements": [
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"density_atomic": 0.09467585235428796,
"volume": 844.988431692495,
"volume_molar": 6.360799095279813,
"formula_full": "Li4 Mn24 P4 O48",
"formula_reduced": "LiMn6PO12",
"formula_anonymous": "ABC6D12",
"energy": -661.8160529400001,
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"updated_at": "2021-11-28T01:36:38.653000Z",
"spacegroup": 142
},
{
"id": "mp-1260244",
"created_at": "2022-09-04T14:44:16.270542Z",
"structure_string": "Al4 Sn4 O14\n1.0\n0.000000 4.970109 4.970109\n4.970109 0.000000 4.970109\n4.970109 4.970109 0.000000\nAl Sn O\n4 4 14\ndirect\n0.125000 0.125000 0.125000 Al\n0.625000 0.125000 0.125000 Al\n0.125000 0.125000 0.625000 Al\n0.125000 0.625000 0.125000 Al\n0.625000 0.625000 0.625000 Sn\n0.125000 0.625000 0.625000 Sn\n0.625000 0.625000 0.125000 Sn\n0.625000 0.125000 0.625000 Sn\n0.000000 0.000000 0.000000 O\n0.250000 0.250000 0.250000 O\n0.268609 0.268609 0.731391 O\n0.518609 0.518609 0.981391 O\n0.731391 0.268609 0.731391 O\n0.731391 0.268609 0.268609 O\n0.268609 0.731391 0.731391 O\n0.268609 0.731391 0.268609 O\n0.731391 0.731391 0.268609 O\n0.981391 0.518609 0.518609 O\n0.518609 0.981391 0.981391 O\n0.981391 0.981391 0.518609 O\n0.981391 0.518609 0.981391 O\n0.518609 0.981391 0.518609 O\n",
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{
"id": "mp-11719",
"created_at": "2022-09-04T14:44:16.272120Z",
"structure_string": "K4 Zn1 P2\n1.0\n8.934708 -2.837537 0.000000\n8.934708 2.837537 0.000000\n8.033547 0.000000 4.831433\nK Zn P\n4 1 2\ndirect\n0.208549 0.208549 0.208549 K\n0.791451 0.791451 0.791451 K\n0.385609 0.385609 0.385609 K\n0.614391 0.614391 0.614391 K\n0.000000 0.000000 0.000000 Zn\n0.084462 0.084462 0.084462 P\n0.915538 0.915538 0.915538 P\n",
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"updated_at": "2021-11-28T01:36:32.919000Z",
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{
"id": "mp-677715",
"created_at": "2022-09-04T14:44:16.281743Z",
"structure_string": "B3 H60 C16 N12 O12\n1.0\n10.814475 0.000000 0.000000\n0.000000 10.814475 0.000000\n0.000000 0.000000 10.814475\nB H C N O\n3 60 16 12 12\ndirect\n0.500000 0.000000 0.000000 B\n0.000000 0.500000 0.000000 B\n0.000000 0.000000 0.500000 B\n0.209968 0.611034 0.209968 H\n0.209968 0.209968 0.611034 H\n0.209968 0.388966 0.790032 H\n0.231347 0.479218 0.114449 H\n0.231347 0.885551 0.520782 H\n0.231347 0.114449 0.479218 H\n0.231347 0.520782 0.885551 H\n0.479218 0.231347 0.114449 H\n0.479218 0.114449 0.231347 H\n0.479218 0.885551 0.768653 H\n0.479218 0.768653 0.885551 H\n0.611034 0.209968 0.209968 H\n0.611034 0.790032 0.790032 H\n0.724365 0.840785 0.007945 H\n0.724365 0.992055 0.159215 H\n0.724365 0.007945 0.840785 H\n0.724365 0.159215 0.992055 H\n0.790032 0.611034 0.790032 H\n0.790032 0.209968 0.388966 H\n0.790032 0.388966 0.209968 H\n0.840785 0.724365 0.007945 H\n0.840785 0.007945 0.724365 H\n0.840785 0.992055 0.275635 H\n0.840785 0.275635 0.992055 H\n0.885551 0.479218 0.768653 H\n0.885551 0.768653 0.479218 H\n0.885551 0.231347 0.520782 H\n0.885551 0.520782 0.231347 H\n0.992055 0.724365 0.159215 H\n0.992055 0.159215 0.724365 H\n0.992055 0.840785 0.275635 H\n0.992055 0.275635 0.840785 H\n0.007945 0.724365 0.840785 H\n0.007945 0.840785 0.724365 H\n0.007945 0.159215 0.275635 H\n0.007945 0.275635 0.159215 H\n0.114449 0.231347 0.479218 H\n0.114449 0.479218 0.231347 H\n0.114449 0.520782 0.768653 H\n0.114449 0.768653 0.520782 H\n0.159215 0.724365 0.992055 H\n0.159215 0.992055 0.724365 H\n0.159215 0.007945 0.275635 H\n0.159215 0.275635 0.007945 H\n0.209968 0.790032 0.388966 H\n0.275635 0.840785 0.992055 H\n0.275635 0.992055 0.840785 H\n0.275635 0.007945 0.159215 H\n0.275635 0.159215 0.007945 H\n0.388966 0.209968 0.790032 H\n0.388966 0.790032 0.209968 H\n0.520782 0.231347 0.885551 H\n0.520782 0.885551 0.231347 H\n0.520782 0.114449 0.768653 H\n0.520782 0.768653 0.114449 H\n0.768653 0.479218 0.885551 H\n0.768653 0.885551 0.479218 H\n0.768653 0.114449 0.520782 H\n0.768653 0.520782 0.114449 H\n0.790032 0.790032 0.611034 H\n0.161180 0.536203 0.161180 C\n0.161180 0.161180 0.536203 C\n0.161180 0.463797 0.838820 C\n0.536203 0.161180 0.161180 C\n0.536203 0.838820 0.838820 C\n0.838820 0.161180 0.463797 C\n0.838820 0.463797 0.161180 C\n0.838820 0.536203 0.838820 C\n0.852092 0.852092 0.147908 C\n0.852092 0.147908 0.852092 C\n0.147908 0.852092 0.852092 C\n0.147908 0.147908 0.147908 C\n0.161180 0.838820 0.463797 C\n0.463797 0.161180 0.838820 C\n0.463797 0.838820 0.161180 C\n0.838820 0.838820 0.536203 C\n0.801140 0.801140 0.047458 N\n0.801140 0.952542 0.198860 N\n0.801140 0.047458 0.801140 N\n0.801140 0.198860 0.952542 N\n0.952542 0.801140 0.198860 N\n0.952542 0.198860 0.801140 N\n0.047458 0.801140 0.801140 N\n0.047458 0.198860 0.198860 N\n0.198860 0.801140 0.952542 N\n0.198860 0.952542 0.801140 N\n0.198860 0.047458 0.198860 N\n0.198860 0.198860 0.047458 N\n0.075148 0.587872 0.075148 O\n0.075148 0.075148 0.587872 O\n0.075148 0.412128 0.924852 O\n0.587872 0.075148 0.075148 O\n0.587872 0.924852 0.924852 O\n0.924852 0.075148 0.412128 O\n0.924852 0.412128 0.075148 O\n0.924852 0.587872 0.924852 O\n0.075148 0.924852 0.412128 O\n0.412128 0.075148 0.924852 O\n0.412128 0.924852 0.075148 O\n0.924852 0.924852 0.587872 O\n",
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{
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{
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"structure_string": "Ba2 Nd4 Cu2 O10\n1.0\n6.765790 0.000000 0.000000\n0.000000 6.765790 0.000000\n0.000000 0.000000 5.883665\nBa Nd Cu O\n2 4 2 10\ndirect\n0.500000 0.500000 0.000000 Ba\n0.000000 0.000000 0.000000 Ba\n0.326779 0.826779 0.500000 Nd\n0.826779 0.673221 0.500000 Nd\n0.173221 0.326779 0.500000 Nd\n0.673221 0.173221 0.500000 Nd\n0.000000 0.500000 0.000000 Cu\n0.500000 0.000000 0.000000 Cu\n0.138934 0.638934 0.243333 O\n0.861066 0.361066 0.243333 O\n0.361066 0.138934 0.243333 O\n0.638934 0.861066 0.243333 O\n0.138934 0.638934 0.756667 O\n0.638934 0.861066 0.756667 O\n0.361066 0.138934 0.756667 O\n0.861066 0.361066 0.756667 O\n0.000000 0.000000 0.500000 O\n0.500000 0.500000 0.500000 O\n",
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{
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{
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"structure_string": "Hf2 Cr2 Cu2 S8\n1.0\n-3.575569 -6.193238 -0.000094\n-5.237899 3.024180 0.133030\n0.118816 -0.068726 -5.966331\nHf Cr Cu S\n2 2 2 8\ndirect\n0.250052 0.500003 0.500010 Hf\n0.749941 0.500000 0.500010 Hf\n0.999975 0.999927 0.499875 Cr\n0.500007 0.000038 0.500033 Cr\n0.000000 0.000024 0.999977 Cu\n0.499995 0.000010 0.000034 Cu\n0.000008 0.312533 0.257565 S\n0.500000 0.312612 0.257533 S\n0.250007 0.838556 0.263715 S\n0.750013 0.838564 0.263707 S\n0.249894 0.161429 0.736288 S\n0.750119 0.161426 0.736283 S\n0.499996 0.687390 0.742547 S\n0.999993 0.687487 0.742423 S\n",
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