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{
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"results": [
{
"id": "mp-756231",
"created_at": "2022-09-04T14:48:05.913287Z",
"structure_string": "Ti1 V4 Fe1 O12\n1.0\n4.626973 5.090923 0.000000\n-4.626973 5.090923 0.000000\n0.000000 1.964586 5.392945\nTi V Fe O\n1 4 1 12\ndirect\n0.094110 0.905890 0.500000 Ti\n0.794198 0.612190 0.999081 V\n0.611561 0.809264 0.499927 V\n0.387810 0.205802 0.000919 V\n0.190736 0.388439 0.500073 V\n0.913065 0.086935 0.000000 Fe\n0.964888 0.812149 0.867835 O\n0.914010 0.383986 0.014405 O\n0.824855 0.963289 0.384541 O\n0.625884 0.644283 0.805321 O\n0.616014 0.085990 0.985595 O\n0.663458 0.631272 0.297807 O\n0.355717 0.374116 0.194679 O\n0.357801 0.907396 0.528955 O\n0.368728 0.336542 0.702193 O\n0.187851 0.035112 0.132165 O\n0.092604 0.642199 0.471045 O\n0.036711 0.175145 0.615459 O\n",
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{
"id": "mp-540438",
"created_at": "2022-09-04T14:48:12.553294Z",
"structure_string": "Li4 Mn4 P12 O36\n1.0\n7.497131 -0.021570 -0.828697\n0.511727 7.181669 5.587857\n-0.521792 -7.156356 8.155724\nLi Mn P O\n4 4 12 36\ndirect\n0.296105 0.502976 0.368320 Li\n0.296180 0.002978 0.868356 Li\n0.703886 0.497034 0.631684 Li\n0.703836 0.997024 0.131639 Li\n0.172483 0.793496 0.635235 Mn\n0.827512 0.206467 0.364760 Mn\n0.172588 0.293368 0.135232 Mn\n0.827415 0.706631 0.864768 Mn\n0.157943 0.655710 0.113174 P\n0.157983 0.155740 0.613203 P\n0.842066 0.344293 0.886827 P\n0.842008 0.844255 0.386801 P\n0.291454 0.461035 0.684375 P\n0.291455 0.960967 0.184406 P\n0.708542 0.538958 0.315624 P\n0.708556 0.039038 0.815590 P\n0.371028 0.671509 0.899902 P\n0.371077 0.171462 0.399923 P\n0.628973 0.328491 0.100097 P\n0.628913 0.828546 0.600079 P\n0.011238 0.325047 0.971267 O\n0.011188 0.825085 0.471248 O\n0.988774 0.674962 0.028733 O\n0.988796 0.174914 0.528767 O\n0.167681 0.529284 0.197428 O\n0.167725 0.029350 0.697496 O\n0.832323 0.470721 0.802573 O\n0.832275 0.970641 0.302509 O\n0.151839 0.558246 0.620994 O\n0.151838 0.058178 0.121030 O\n0.848152 0.441740 0.379001 O\n0.848168 0.941821 0.878963 O\n0.242371 0.782588 0.840959 O\n0.242412 0.282540 0.340977 O\n0.757628 0.217412 0.159042 O\n0.757573 0.717464 0.659026 O\n0.204364 0.301370 0.702504 O\n0.204361 0.801319 0.202530 O\n0.795643 0.698622 0.297501 O\n0.795657 0.198685 0.797468 O\n0.326936 0.640516 0.036328 O\n0.326970 0.140499 0.536357 O\n0.673072 0.359481 0.963672 O\n0.673014 0.859495 0.463640 O\n0.325916 0.511680 0.831425 O\n0.325928 0.011631 0.331461 O\n0.674079 0.488321 0.168573 O\n0.674078 0.988378 0.668535 O\n0.433743 0.294057 0.090516 O\n0.433681 0.794147 0.590515 O\n0.566258 0.705943 0.909480 O\n0.566307 0.205872 0.409490 O\n0.538079 0.558111 0.369713 O\n0.538113 0.058178 0.869706 O\n0.461918 0.441889 0.630285 O\n0.461900 0.941833 0.130293 O\n",
"nsites": 56,
"nelements": 4,
"elements": [
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"Mn",
"P",
"O"
],
"chemical_system": "Li-Mn-O-P",
"density": 2.6855694199142777,
"density_atomic": 0.07577781800552051,
"volume": 739.0025402410021,
"volume_molar": 7.947102355944426,
"formula_full": "Li4 Mn4 P12 O36",
"formula_reduced": "LiMn(PO3)3",
"formula_anonymous": "ABC3D9",
"energy": -432.90910505,
"energy_per_atom": -7.730519733035714,
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"is_magnetic": true,
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"updated_at": "2021-11-28T01:38:30.413000Z",
"spacegroup": 2
},
{
"id": "mp-11830",
"created_at": "2022-09-04T14:48:12.558399Z",
"structure_string": "Li1 Ce1 Sn1\n1.0\n0.000000 3.369866 3.369866\n3.369866 0.000000 3.369866\n3.369866 3.369866 0.000000\nLi Ce Sn\n1 1 1\ndirect\n0.750000 0.750000 0.750000 Li\n0.500000 0.500000 0.500000 Ce\n0.000000 0.000000 0.000000 Sn\n",
"nsites": 3,
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"elements": [
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"Ce",
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],
"chemical_system": "Ce-Li-Sn",
"density": 5.766101199821208,
"density_atomic": 0.03919704824947586,
"volume": 76.53637541546551,
"volume_molar": 15.363760867071226,
"formula_full": "Li1 Ce1 Sn1",
"formula_reduced": "LiCeSn",
"formula_anonymous": "ABC",
"energy": -12.94012209,
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"energy_uncorrected": -12.94012209,
"band_gap": 0.0,
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"updated_at": "2021-11-28T01:38:45.419000Z",
"spacegroup": 216
},
{
"id": "mp-772138",
"created_at": "2022-09-04T14:48:05.961137Z",
"structure_string": "Li4 Fe4 P4 O16\n1.0\n5.158533 -0.017229 0.174148\n-2.316204 4.310320 9.397285\n0.030675 -8.996547 0.222421\nLi Fe P O\n4 4 4 16\ndirect\n0.117761 0.236082 0.120935 Li\n0.618199 0.235999 0.621136 Li\n0.874134 0.734627 0.858957 Li\n0.374304 0.734915 0.359198 Li\n0.565960 0.118741 0.236514 Fe\n0.825440 0.616713 0.140914 Fe\n0.067396 0.118319 0.735898 Fe\n0.325490 0.616938 0.641171 Fe\n0.882005 0.760337 0.540180 P\n0.383031 0.760101 0.040158 P\n0.123217 0.261183 0.469185 P\n0.623656 0.260677 0.968781 P\n0.717622 0.699176 0.652666 O\n0.217829 0.699499 0.152769 O\n0.722240 0.709434 0.374671 O\n0.222544 0.710012 0.874977 O\n0.935546 0.920027 0.619224 O\n0.441357 0.919723 0.119688 O\n0.819933 0.197740 0.436758 O\n0.319864 0.198193 0.936384 O\n0.145576 0.705983 0.512228 O\n0.645165 0.704469 0.011114 O\n0.161283 0.419909 0.557860 O\n0.662418 0.419504 0.057221 O\n0.248307 0.197916 0.574634 O\n0.747626 0.197470 0.074763 O\n0.256028 0.222799 0.305792 O\n0.755487 0.221158 0.805039 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Fe",
"P",
"O"
],
"chemical_system": "Fe-Li-O-P",
"density": 2.3565388135318703,
"density_atomic": 0.06297003059976114,
"volume": 444.6559694081872,
"volume_molar": 9.563502991251275,
"formula_full": "Li4 Fe4 P4 O16",
"formula_reduced": "LiFePO4",
"formula_anonymous": "ABCD4",
"energy": -210.36289114,
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"updated_at": "2021-11-28T01:38:21.901000Z",
"spacegroup": 1
},
{
"id": "mp-770535",
"created_at": "2022-09-04T14:48:09.634747Z",
"structure_string": "Mn4 P8 O26\n1.0\n3.102200 6.325792 0.000000\n-3.102200 6.325792 0.000000\n0.000000 6.000154 13.061222\nMn P O\n4 8 26\ndirect\n0.694268 0.750787 0.894192 Mn\n0.249213 0.305732 0.605808 Mn\n0.750787 0.694268 0.394192 Mn\n0.305732 0.249213 0.105808 Mn\n0.808458 0.144525 0.861810 P\n0.144525 0.808458 0.361810 P\n0.183290 0.242023 0.842858 P\n0.757977 0.816710 0.657142 P\n0.242023 0.183290 0.342858 P\n0.816710 0.757977 0.157142 P\n0.855475 0.191542 0.638190 P\n0.191542 0.855475 0.138190 P\n0.619693 0.316155 0.932838 O\n0.877255 0.881773 0.889438 O\n0.316155 0.619693 0.432838 O\n0.900084 0.924833 0.659882 O\n0.990427 0.438773 0.906786 O\n0.396624 0.061972 0.899676 O\n0.268563 0.336119 0.731636 O\n0.881773 0.877255 0.389438 O\n0.924833 0.900084 0.159882 O\n0.663881 0.731437 0.768364 O\n0.938028 0.603376 0.600324 O\n0.561227 0.009573 0.593214 O\n0.438773 0.990427 0.406786 O\n0.061972 0.396624 0.399676 O\n0.336119 0.268563 0.231636 O\n0.075167 0.099916 0.840118 O\n0.118227 0.122745 0.610562 O\n0.731437 0.663881 0.268364 O\n0.603376 0.938028 0.100324 O\n0.009573 0.561227 0.093214 O\n0.737078 0.262922 0.750000 O\n0.099916 0.075167 0.340118 O\n0.683845 0.380307 0.567162 O\n0.122745 0.118227 0.110562 O\n0.262922 0.737078 0.250000 O\n0.380307 0.683845 0.067162 O\n",
"nsites": 38,
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"elements": [
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"P",
"O"
],
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"density": 2.862004129106346,
"density_atomic": 0.07412847890414583,
"volume": 512.6234958785152,
"volume_molar": 8.123923287009731,
"formula_full": "Mn4 P8 O26",
"formula_reduced": "Mn2P4O13",
"formula_anonymous": "A2B4C13",
"energy": -300.17600508,
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"spacegroup": 15
},
{
"id": "mp-1184467",
"created_at": "2022-09-04T14:48:13.263296Z",
"structure_string": "Eu1 Pu1 Rh2\n1.0\n0.000000 3.449525 3.449525\n3.449525 0.000000 3.449525\n3.449525 3.449525 0.000000\nEu Pu Rh\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Eu\n0.000000 0.000000 0.000000 Pu\n0.250000 0.250000 0.250000 Rh\n0.750000 0.750000 0.750000 Rh\n",
"nsites": 4,
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"density": 12.172375829093573,
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"volume": 82.09333254522315,
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"formula_full": "Eu1 Pu1 Rh2",
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"formula_anonymous": "ABC2",
"energy": -39.00185212,
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"updated_at": "2021-11-28T01:38:41.082000Z",
"spacegroup": 225
},
{
"id": "mp-761143",
"created_at": "2022-09-04T14:48:12.547091Z",
"structure_string": "K3 Li3 Sb3 P6 O24\n1.0\n-5.039974 0.000000 0.000000\n-0.021895 -8.605709 0.000000\n2.516818 4.101830 12.310164\nK Li Sb P O\n3 3 3 6 24\ndirect\n0.179204 0.792316 0.348984 K\n0.506471 0.502523 0.002247 K\n0.814645 0.163985 0.659651 K\n0.028119 0.743433 0.085935 Li\n0.972194 0.259386 0.905177 Li\n0.703123 0.054926 0.405213 Li\n0.335221 0.665528 0.669461 Sb\n0.663115 0.346303 0.323259 Sb\n0.999437 0.003276 0.002597 Sb\n0.089424 0.413395 0.161502 P\n0.251394 0.276450 0.492989 P\n0.410129 0.064472 0.829653 P\n0.583331 0.920602 0.176784 P\n0.754285 0.734381 0.514411 P\n0.911921 0.593338 0.824924 P\n0.067415 0.728464 0.926661 O\n0.050561 0.568015 0.724010 O\n0.054717 0.684182 0.543313 O\n0.298148 0.108841 0.938478 O\n0.267133 0.888534 0.758210 O\n0.098191 0.566539 0.128568 O\n0.298990 0.132077 0.534739 O\n0.326823 0.193709 0.776785 O\n0.400925 0.440440 0.580056 O\n0.382372 0.241449 0.389700 O\n0.274283 0.940658 0.142070 O\n0.616417 0.650055 0.794870 O\n0.383464 0.352660 0.183866 O\n0.723337 0.054009 0.853915 O\n0.621781 0.765142 0.617275 O\n0.590761 0.590847 0.419948 O\n0.633215 0.801952 0.242332 O\n0.757384 0.888748 0.482702 O\n0.893270 0.434894 0.851214 O\n0.727195 0.091488 0.256183 O\n0.707482 0.862725 0.073115 O\n0.940438 0.297620 0.463160 O\n0.975121 0.449730 0.268110 O\n0.916467 0.277599 0.063735 O\n",
"nsites": 39,
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"elements": [
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"density": 3.3378093025362365,
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"volume": 533.9231988165137,
"volume_molar": 8.244514508467976,
"formula_full": "K3 Li3 Sb3 P6 O24",
"formula_reduced": "KLiSb(PO4)2",
"formula_anonymous": "ABCD2E8",
"energy": -268.10542058,
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"spacegroup": 1
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{
"id": "mp-1521847",
"created_at": "2022-09-04T14:48:09.945294Z",
"structure_string": "Sr1 Sm1 Co4 O12\n1.0\n5.323690 0.000000 -0.000000\n0.000000 5.323690 -0.000000\n0.000000 0.000000 7.533727\nSr Sm Co O\n1 1 4 12\ndirect\n-0.000000 0.000000 0.500000 Sr\n0.500000 0.500000 -0.000000 Sm\n-0.000000 0.500000 0.745989 Co\n-0.000000 0.500000 0.254011 Co\n0.500000 -0.000000 0.254011 Co\n0.500000 0.000000 0.745989 Co\n0.257068 0.257068 0.242109 O\n0.257068 0.257068 0.757891 O\n0.742932 0.742932 0.242109 O\n0.742932 0.742932 0.757891 O\n0.742932 0.257068 0.757891 O\n0.742932 0.257068 0.242109 O\n0.257068 0.742932 0.757891 O\n0.257068 0.742932 0.242109 O\n0.000000 0.500000 0.500000 O\n0.000000 0.500000 -0.000000 O\n0.500000 0.000000 0.500000 O\n0.500000 -0.000000 -0.000000 O\n",
"nsites": 18,
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"elements": [
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],
"chemical_system": "Co-O-Sm-Sr",
"density": 5.177211405095766,
"density_atomic": 0.08430185083587445,
"volume": 213.5184438007634,
"volume_molar": 7.1435451301352595,
"formula_full": "Sr1 Sm1 Co4 O12",
"formula_reduced": "SrSm(CoO3)4",
"formula_anonymous": "ABC4D12",
"energy": -119.55394028,
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{
"id": "mp-1184522",
"created_at": "2022-09-04T14:48:12.583947Z",
"structure_string": "Gd1 Lu1 Cu2\n1.0\n0.000000 3.445046 3.445046\n3.445046 0.000000 3.445046\n3.445046 3.445046 0.000000\nGd Lu Cu\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Gd\n0.000000 0.000000 0.000000 Lu\n0.750000 0.750000 0.750000 Cu\n0.250000 0.250000 0.250000 Cu\n",
"nsites": 4,
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"volume": 81.77396786863792,
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"formula_full": "Gd1 Lu1 Cu2",
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"energy": -27.78034669,
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{
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{
"id": "mp-1096305",
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}