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{
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{
"id": "mp-11317",
"created_at": "2022-09-04T14:45:35.098703Z",
"structure_string": "Ce1 Fe5\n1.0\n2.501101 -4.332034 0.000000\n2.501101 4.332034 0.000000\n0.000000 0.000000 4.046026\nCe Fe\n1 5\ndirect\n0.000000 0.000000 0.000000 Ce\n0.000000 0.500000 0.500000 Fe\n0.333333 0.666667 0.000000 Fe\n0.666667 0.333333 0.000000 Fe\n0.500000 0.000000 0.500000 Fe\n0.500000 0.500000 0.500000 Fe\n",
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{
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"volume": 156.1195597559275,
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"formula_full": "Li5 Mn3 O5 F3",
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},
{
"id": "mp-1210501",
"created_at": "2022-09-04T14:45:34.751638Z",
"structure_string": "Na4 Mn6 P6 O24\n1.0\n6.359779 6.068746 0.000000\n-6.359779 6.068746 0.000000\n0.000000 2.894660 6.097818\nNa Mn P O\n4 6 6 24\ndirect\n0.985702 0.014298 0.250000 Na\n0.014298 0.985702 0.750000 Na\n0.500000 0.500000 0.000000 Na\n0.500000 0.500000 0.500000 Na\n0.268519 0.731481 0.250000 Mn\n0.731481 0.268519 0.750000 Mn\n0.381052 0.062710 0.364137 Mn\n0.618948 0.937290 0.635863 Mn\n0.937290 0.618948 0.135863 Mn\n0.062710 0.381052 0.864137 Mn\n0.656752 0.875113 0.124682 P\n0.343248 0.124887 0.875318 P\n0.124887 0.343248 0.375318 P\n0.875113 0.656752 0.624682 P\n0.716455 0.283545 0.250000 P\n0.283545 0.716455 0.750000 P\n0.540858 0.263251 0.246410 O\n0.459142 0.736749 0.753590 O\n0.736749 0.459142 0.253590 O\n0.263251 0.540858 0.746410 O\n0.599263 0.953423 0.310231 O\n0.400737 0.046577 0.689769 O\n0.046577 0.400737 0.189769 O\n0.953423 0.599263 0.810231 O\n0.323527 0.996362 0.102118 O\n0.676473 0.003638 0.897882 O\n0.003638 0.676473 0.397882 O\n0.996362 0.323527 0.602118 O\n0.744149 0.170054 0.459373 O\n0.255851 0.829946 0.540627 O\n0.829946 0.255851 0.040627 O\n0.170054 0.744149 0.959373 O\n0.531256 0.728454 0.174068 O\n0.468744 0.271546 0.825932 O\n0.271546 0.468744 0.325932 O\n0.728454 0.531256 0.674068 O\n0.827534 0.829349 0.115690 O\n0.172466 0.170651 0.884310 O\n0.170651 0.172466 0.384310 O\n0.829349 0.827534 0.615690 O\n",
"nsites": 40,
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"elements": [
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"P",
"O"
],
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"density": 3.4975132734692345,
"density_atomic": 0.08497957453308524,
"volume": 470.70134464402065,
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"formula_full": "Na4 Mn6 P6 O24",
"formula_reduced": "Na2Mn3(PO4)3",
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"spacegroup": 15
},
{
"id": "mp-980946",
"created_at": "2022-09-04T14:45:34.843054Z",
"structure_string": "Sr3 Cr1\n1.0\n5.535729 0.000000 0.000000\n0.000000 5.535729 0.000000\n0.000000 0.000000 5.535729\nSr Cr\n3 1\ndirect\n0.000000 0.500000 0.500000 Sr\n0.500000 0.000000 0.500000 Sr\n0.500000 0.500000 0.000000 Sr\n0.000000 0.000000 0.000000 Cr\n",
"nsites": 4,
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"elements": [
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],
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"density": 3.0820291752966953,
"density_atomic": 0.023579550818901073,
"volume": 169.63851562404022,
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"formula_full": "Sr3 Cr1",
"formula_reduced": "Sr3Cr",
"formula_anonymous": "AB3",
"energy": -12.73913253,
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"updated_at": "2021-11-28T01:37:03.801000Z",
"spacegroup": 221
},
{
"id": "mp-982975",
"created_at": "2022-09-04T14:45:34.970303Z",
"structure_string": "Li1 Be1 O3\n1.0\n3.507241 0.000000 0.000000\n0.000000 3.507241 0.000000\n0.000000 0.000000 3.507241\nLi Be O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.500000 Be\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
"nsites": 5,
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"elements": [
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"O"
],
"chemical_system": "Be-Li-O",
"density": 2.461513393735289,
"density_atomic": 0.11589726196082771,
"volume": 43.1416576665112,
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"formula_full": "Li1 Be1 O3",
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"energy": -27.225265,
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"updated_at": "2021-11-28T01:37:01.180000Z",
"spacegroup": 221
},
{
"id": "mp-1198524",
"created_at": "2022-09-04T14:45:35.010325Z",
"structure_string": "Cu12 Te4 Pb4 O28\n1.0\n0.000000 6.420676 0.000000\n0.000000 0.000000 8.897754\n10.666543 0.000000 0.000000\nCu Te Pb O\n12 4 4 28\ndirect\n0.009080 0.876076 0.888218 Cu\n0.490920 0.623924 0.388218 Cu\n0.509080 0.123924 0.111782 Cu\n0.990920 0.376076 0.611782 Cu\n0.990920 0.123924 0.111782 Cu\n0.509080 0.376076 0.611782 Cu\n0.490920 0.876076 0.888218 Cu\n0.009080 0.623924 0.388218 Cu\n0.250000 0.594755 0.747076 Cu\n0.250000 0.905245 0.247076 Cu\n0.750000 0.405245 0.252924 Cu\n0.750000 0.094755 0.752924 Cu\n0.250000 0.202386 0.885300 Te\n0.250000 0.297614 0.385300 Te\n0.750000 0.797614 0.114700 Te\n0.750000 0.702386 0.614700 Te\n0.250000 0.954613 0.607165 Pb\n0.250000 0.545387 0.107165 Pb\n0.750000 0.045387 0.392835 Pb\n0.750000 0.454613 0.892835 Pb\n0.250000 0.360770 0.764667 O\n0.250000 0.139230 0.264667 O\n0.750000 0.639230 0.235333 O\n0.750000 0.860770 0.735333 O\n0.250000 0.798425 0.797525 O\n0.250000 0.701575 0.297525 O\n0.750000 0.201575 0.202475 O\n0.750000 0.298425 0.702475 O\n0.250000 0.045075 0.018809 O\n0.250000 0.454925 0.518809 O\n0.750000 0.954925 0.981191 O\n0.750000 0.545075 0.481191 O\n0.955582 0.572849 0.709369 O\n0.544418 0.927151 0.209369 O\n0.455582 0.427151 0.290631 O\n0.044418 0.072849 0.790631 O\n0.044418 0.427151 0.290631 O\n0.455582 0.072849 0.790631 O\n0.544418 0.572849 0.709369 O\n0.955582 0.927151 0.209369 O\n0.972683 0.710342 0.012445 O\n0.527317 0.789658 0.512445 O\n0.472683 0.289658 0.987555 O\n0.027317 0.210342 0.487555 O\n0.027317 0.289658 0.987555 O\n0.472683 0.210342 0.487555 O\n0.527317 0.710342 0.012445 O\n0.972683 0.789658 0.512445 O\n",
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"elements": [
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"density": 6.947992468715477,
"density_atomic": 0.07876919358932796,
"volume": 609.375287631525,
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"formula_full": "Cu12 Te4 Pb4 O28",
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"spacegroup": 62
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{
"id": "mp-1177055",
"created_at": "2022-09-04T14:45:35.249205Z",
"structure_string": "Li10 V6 P16 O58\n1.0\n9.795898 0.000000 0.000000\n-4.884441 -8.494254 0.000000\n-0.126637 0.035679 -14.113175\nLi V P O\n10 6 16 58\ndirect\n0.322174 0.664402 0.606278 Li\n0.229928 0.319038 0.942383 Li\n0.682197 0.909072 0.940280 Li\n0.331025 0.231664 0.557781 Li\n0.681229 0.770648 0.437761 Li\n0.315158 0.085552 0.065743 Li\n0.773334 0.679523 0.054700 Li\n0.767676 0.102614 0.554134 Li\n0.906368 0.230732 0.065250 Li\n0.029985 0.982212 0.496944 Li\n0.431256 0.431164 0.747805 V\n0.567431 0.565694 0.252071 V\n0.428348 0.994597 0.250645 V\n0.568023 0.003801 0.752284 V\n0.994897 0.569644 0.748474 V\n0.002615 0.436446 0.256038 V\n0.081355 0.767097 0.159000 P\n0.220745 0.912142 0.663124 P\n0.084015 0.309076 0.659441 P\n0.331095 0.663236 0.868825 P\n0.337511 0.666460 0.370418 P\n0.229132 0.320015 0.160663 P\n0.315742 0.226012 0.341836 P\n0.679243 0.909730 0.158373 P\n0.318836 0.087358 0.846302 P\n0.678581 0.774344 0.656082 P\n0.768703 0.682396 0.837251 P\n0.667224 0.331789 0.626874 P\n0.662924 0.331330 0.130674 P\n0.919376 0.695394 0.344697 P\n0.772113 0.087407 0.339695 P\n0.917813 0.235128 0.844307 P\n0.988687 0.795880 0.429680 O\n0.078928 0.740265 0.663603 O\n0.256837 0.013007 0.939088 O\n0.250131 0.911436 0.159336 O\n0.090259 0.615750 0.179484 O\n0.184590 0.660531 0.817653 O\n0.095622 0.472805 0.666714 O\n0.001180 0.247308 0.936364 O\n0.081936 0.337413 0.159985 O\n0.330652 0.808472 0.328399 O\n0.371902 0.899631 0.668763 O\n0.196184 0.514379 0.331067 O\n0.323169 0.656685 0.973953 O\n0.357418 0.672208 0.476477 O\n0.328928 0.510957 0.828833 O\n0.520447 0.900805 0.174743 O\n0.484372 0.813966 0.832600 O\n0.255944 0.337651 0.657662 O\n0.207292 0.209789 0.251055 O\n0.235770 0.217625 0.433020 O\n0.245015 0.245405 0.071545 O\n0.380427 0.480380 0.180296 O\n0.494385 0.673604 0.329398 O\n0.333722 0.251871 0.836627 O\n0.514016 0.627965 0.671104 O\n0.658011 0.922175 0.663372 O\n0.202059 0.985803 0.761023 O\n0.208421 0.005357 0.582927 O\n0.779023 0.004034 0.428318 O\n0.346222 0.087467 0.331597 O\n0.472419 0.384270 0.327771 O\n0.660051 0.742050 0.158388 O\n0.514532 0.328335 0.663720 O\n0.618345 0.522087 0.819818 O\n0.760093 0.759393 0.926740 O\n0.760538 0.779356 0.566848 O\n0.787597 0.791964 0.747413 O\n0.743498 0.662500 0.334011 O\n0.509125 0.182788 0.164934 O\n0.479308 0.098908 0.820599 O\n0.663107 0.481397 0.178504 O\n0.664768 0.352415 0.025626 O\n0.676830 0.337093 0.521719 O\n0.813940 0.480371 0.676149 O\n0.619199 0.090556 0.327894 O\n0.675292 0.187473 0.667914 O\n0.915214 0.661455 0.832988 O\n0.001817 0.796254 0.251122 O\n0.988276 0.757812 0.073347 O\n0.918756 0.539691 0.336855 O\n0.810584 0.328580 0.170114 O\n0.907235 0.383560 0.821099 O\n0.752473 0.085564 0.841225 O\n0.758363 0.997122 0.069050 O\n0.791027 0.996017 0.248760 O\n0.915197 0.255186 0.333319 O\n0.988871 0.204283 0.580049 O\n0.015743 0.217693 0.759161 O\n",
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"volume": 1174.3410019013181,
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"formula_full": "Li10 V6 P16 O58",
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"energy": -681.62190307,
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"spacegroup": 1
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{
"id": "mp-1221078",
"created_at": "2022-09-04T14:45:34.753650Z",
"structure_string": "Na1 Eu1 Mo2 O8\n1.0\n5.750712 3.770723 0.000000\n-5.750712 3.770723 0.000000\n0.000000 3.697013 3.781000\nNa Eu Mo O\n1 1 2 8\ndirect\n0.375802 0.624198 0.000000 Na\n0.623379 0.376621 0.500000 Eu\n0.876242 0.123758 0.000000 Mo\n0.124583 0.875417 0.500000 Mo\n0.928313 0.355082 0.618717 O\n0.056294 0.638587 0.894521 O\n0.361413 0.943706 0.105479 O\n0.644918 0.071687 0.381283 O\n0.278787 0.196815 0.422876 O\n0.725790 0.798707 0.086239 O\n0.201293 0.274210 0.913761 O\n0.803185 0.721213 0.577124 O\n",
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"volume": 163.9769942401161,
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{
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}