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{
"id": "mp-1195303",
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"structure_string": "H24 Pt4 N16 O16\n1.0\n13.170877 0.000000 0.000000\n0.000000 7.157983 0.000000\n0.000000 2.736529 7.260023\nH Pt N O\n24 4 16 16\ndirect\n0.358049 0.655258 0.987881 H\n0.858049 0.344742 0.512119 H\n0.641951 0.344742 0.012119 H\n0.141951 0.655258 0.487881 H\n0.385531 0.604598 0.208188 H\n0.885531 0.395402 0.291812 H\n0.614469 0.395402 0.791812 H\n0.114469 0.604598 0.708188 H\n0.283510 0.737421 0.117807 H\n0.783510 0.262579 0.382193 H\n0.716490 0.262579 0.882193 H\n0.216490 0.737421 0.617807 H\n0.370308 0.058004 0.323569 H\n0.870308 0.941996 0.176431 H\n0.629692 0.941996 0.676431 H\n0.129692 0.058004 0.823569 H\n0.437719 0.268189 0.252823 H\n0.937719 0.731811 0.247177 H\n0.562281 0.731811 0.747177 H\n0.062281 0.268189 0.752823 H\n0.396075 0.170020 0.101650 H\n0.896075 0.829980 0.398350 H\n0.603925 0.829980 0.898350 H\n0.103925 0.170020 0.601650 H\n0.242223 0.356754 0.185231 Pt\n0.742223 0.643246 0.314769 Pt\n0.757777 0.643246 0.814769 Pt\n0.257777 0.356754 0.685231 Pt\n0.165249 0.098897 0.249870 N\n0.665249 0.901103 0.250130 N\n0.834751 0.901103 0.750130 N\n0.334751 0.098897 0.749870 N\n0.116429 0.525241 0.152665 N\n0.616429 0.474759 0.347335 N\n0.883571 0.474759 0.847335 N\n0.383571 0.525241 0.652665 N\n0.327192 0.619199 0.116708 N\n0.827192 0.380801 0.383292 N\n0.672808 0.380801 0.883292 N\n0.172808 0.619199 0.616708 N\n0.377456 0.194026 0.221032 N\n0.877456 0.805974 0.278968 N\n0.622544 0.805974 0.778968 N\n0.122544 0.194026 0.721032 N\n0.089554 0.063804 0.352919 O\n0.589554 0.936196 0.147081 O\n0.910446 0.936196 0.647081 O\n0.410446 0.063804 0.852919 O\n0.197230 0.969487 0.187584 O\n0.697230 0.030513 0.312416 O\n0.802770 0.030513 0.812416 O\n0.302770 0.969487 0.687584 O\n0.059260 0.506603 0.287692 O\n0.559260 0.493397 0.212308 O\n0.940740 0.493397 0.712308 O\n0.440740 0.506603 0.787692 O\n0.099083 0.656834 0.999980 O\n0.599083 0.343166 0.500020 O\n0.900917 0.343166 0.000020 O\n0.400917 0.656834 0.499980 O\n",
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"formula_full": "H24 Pt4 N16 O16",
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"updated_at": "2021-11-28T01:35:55.575000Z",
"spacegroup": 14
},
{
"id": "mp-556132",
"created_at": "2022-09-04T14:42:05.246976Z",
"structure_string": "Si8 O16\n1.0\n4.224431 0.000000 0.000000\n0.000000 7.626827 0.000000\n0.000000 0.000000 8.497389\nSi O\n8 16\ndirect\n0.231592 0.880843 0.884626 Si\n0.768408 0.380843 0.615374 Si\n0.231592 0.119157 0.615374 Si\n0.231592 0.619157 0.384626 Si\n0.768408 0.619157 0.884626 Si\n0.231592 0.380843 0.115374 Si\n0.768408 0.880843 0.384626 Si\n0.768408 0.119157 0.115374 Si\n0.000000 0.250000 0.712307 O\n0.000000 0.750000 0.287693 O\n0.405403 0.000000 0.750000 O\n0.000000 0.250000 0.212307 O\n0.500000 0.250000 0.531940 O\n0.405403 0.500000 0.250000 O\n0.594597 0.500000 0.750000 O\n0.500000 0.250000 0.031940 O\n0.500000 0.750000 0.468060 O\n0.500000 0.750000 0.968060 O\n0.000000 0.000000 0.000000 O\n0.000000 0.750000 0.787693 O\n0.000000 0.500000 0.500000 O\n0.594597 0.000000 0.250000 O\n0.000000 0.500000 0.000000 O\n0.000000 0.000000 0.500000 O\n",
"nsites": 24,
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"elements": [
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"volume": 273.77741366819885,
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"formula_full": "Si8 O16",
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{
"id": "mp-555778",
"created_at": "2022-09-04T14:40:21.095228Z",
"structure_string": "Fe24 Pb2 O38\n1.0\n3.003975 -5.203038 0.000000\n3.003975 5.203038 0.000000\n0.000000 0.000000 23.355158\nFe Pb O\n24 2 38\ndirect\n0.336212 0.168106 0.390774 Fe\n0.666667 0.333333 0.690911 Fe\n0.663788 0.831894 0.609226 Fe\n0.831894 0.168106 0.109226 Fe\n0.831894 0.663788 0.390774 Fe\n0.666667 0.333333 0.972071 Fe\n0.168106 0.831894 0.609226 Fe\n0.333333 0.666667 0.472071 Fe\n0.168106 0.336212 0.609226 Fe\n0.336212 0.168106 0.109226 Fe\n0.333333 0.666667 0.309089 Fe\n0.666667 0.333333 0.809089 Fe\n0.168106 0.336212 0.890774 Fe\n0.000000 0.000000 0.500000 Fe\n0.666667 0.333333 0.527929 Fe\n0.333333 0.666667 0.027929 Fe\n0.831894 0.168106 0.390774 Fe\n0.831894 0.663788 0.109226 Fe\n0.663788 0.831894 0.890774 Fe\n0.000000 0.000000 0.750000 Fe\n0.168106 0.831894 0.890774 Fe\n0.333333 0.666667 0.190911 Fe\n0.000000 0.000000 0.000000 Fe\n0.000000 0.000000 0.250000 Fe\n0.666667 0.333333 0.250000 Pb\n0.333333 0.666667 0.750000 Pb\n0.844724 0.689448 0.552916 O\n0.009893 0.504947 0.650574 O\n0.495053 0.504947 0.849426 O\n0.844724 0.155276 0.552916 O\n0.666667 0.333333 0.055196 O\n0.504947 0.495053 0.349426 O\n0.633847 0.816924 0.250000 O\n0.495053 0.990107 0.650574 O\n0.366153 0.183076 0.750000 O\n0.310552 0.155276 0.947084 O\n0.310552 0.155276 0.552916 O\n0.689448 0.844724 0.052916 O\n0.155276 0.310552 0.052916 O\n0.504947 0.009893 0.349426 O\n0.333333 0.666667 0.555196 O\n0.183076 0.366153 0.250000 O\n0.000000 0.000000 0.847922 O\n0.183076 0.816924 0.250000 O\n0.000000 0.000000 0.347922 O\n0.844724 0.155276 0.947084 O\n0.504947 0.009893 0.150574 O\n0.009893 0.504947 0.849426 O\n0.816924 0.183076 0.750000 O\n0.000000 0.000000 0.652078 O\n0.666667 0.333333 0.444804 O\n0.333333 0.666667 0.944804 O\n0.504947 0.495053 0.150574 O\n0.495053 0.504947 0.650574 O\n0.816924 0.633847 0.750000 O\n0.990107 0.495053 0.150574 O\n0.689448 0.844724 0.447084 O\n0.495053 0.990107 0.849426 O\n0.155276 0.844724 0.447084 O\n0.155276 0.310552 0.447084 O\n0.155276 0.844724 0.052916 O\n0.000000 0.000000 0.152078 O\n0.990107 0.495053 0.349426 O\n0.844724 0.689448 0.947084 O\n",
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"elements": [
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"formula_full": "Fe24 Pb2 O38",
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},
{
"id": "mp-1444833",
"created_at": "2022-09-04T14:47:14.660344Z",
"structure_string": "Li2 Mn2 P2 O8 F2\n1.0\n5.194551 0.000000 0.000000\n-0.747461 5.285149 0.000000\n-1.853613 -2.658148 6.648052\nLi Mn P O F\n2 2 2 8 2\ndirect\n0.729671 0.380582 0.189098 Li\n0.270329 0.619418 0.810902 Li\n0.000000 0.000000 0.000000 Mn\n0.000000 0.000000 0.500000 Mn\n0.681984 0.355337 0.762540 P\n0.318016 0.644663 0.237460 P\n0.694585 0.659025 0.659086 O\n0.305415 0.340975 0.340914 O\n0.635597 0.754536 0.082938 O\n0.250570 0.792034 0.385453 O\n0.364403 0.245464 0.917062 O\n0.749430 0.207966 0.614547 O\n0.875481 0.335662 0.882113 O\n0.124519 0.664338 0.117887 O\n0.858559 0.075801 0.263927 F\n0.141441 0.924199 0.736073 F\n",
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"formula_full": "Li2 Mn2 P2 O8 F2",
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{
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"created_at": "2022-09-04T14:42:45.163300Z",
"structure_string": "Ti8 Al2 N6\n1.0\n1.497451 -2.593662 0.000000\n1.497451 2.593662 0.000000\n0.000000 0.000000 23.496069\nTi Al N\n8 2 6\ndirect\n0.333333 0.666667 0.446022 Ti\n0.666667 0.333333 0.553978 Ti\n0.000000 0.000000 0.654462 Ti\n0.000000 0.000000 0.154462 Ti\n0.000000 0.000000 0.845538 Ti\n0.666667 0.333333 0.946022 Ti\n0.000000 0.000000 0.345538 Ti\n0.333333 0.666667 0.053978 Ti\n0.666667 0.333333 0.750000 Al\n0.333333 0.666667 0.250000 Al\n0.666667 0.333333 0.105666 N\n0.333333 0.666667 0.605666 N\n0.000000 0.000000 0.500000 N\n0.666667 0.333333 0.394334 N\n0.333333 0.666667 0.894334 N\n0.000000 0.000000 0.000000 N\n",
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{
"id": "mp-1044124",
"created_at": "2022-09-04T14:40:54.346399Z",
"structure_string": "Mg4 Cu4 P8 O28\n1.0\n8.276941 0.000000 0.000000\n0.000000 6.975905 0.000000\n0.000000 3.270495 8.692604\nMg Cu P O\n4 4 8 28\ndirect\n0.938260 0.310026 0.816327 Mg\n0.438260 0.689974 0.683673 Mg\n0.561740 0.310026 0.316327 Mg\n0.061740 0.689974 0.183673 Mg\n0.069732 0.766657 0.608915 Cu\n0.930268 0.233343 0.391085 Cu\n0.569732 0.233343 0.891085 Cu\n0.430268 0.766657 0.108915 Cu\n0.732834 0.932026 0.243991 P\n0.230213 0.465709 0.971319 P\n0.767166 0.932026 0.743991 P\n0.269787 0.465709 0.471319 P\n0.232834 0.067974 0.256009 P\n0.730213 0.534291 0.528681 P\n0.769787 0.534291 0.028681 P\n0.267166 0.067974 0.756009 P\n0.182455 0.252258 0.100309 O\n0.609417 0.882915 0.685666 O\n0.890583 0.882915 0.185666 O\n0.393420 0.451811 0.895024 O\n0.817545 0.747742 0.899691 O\n0.091318 0.042400 0.369905 O\n0.606580 0.548189 0.104976 O\n0.090916 0.507028 0.858543 O\n0.258480 0.626594 0.551617 O\n0.908682 0.957600 0.630095 O\n0.408682 0.042400 0.869905 O\n0.760446 0.120789 0.793963 O\n0.260446 0.879211 0.706037 O\n0.317545 0.252258 0.600309 O\n0.591318 0.957600 0.130095 O\n0.109417 0.117085 0.814334 O\n0.239554 0.879211 0.206037 O\n0.909084 0.492972 0.141457 O\n0.241520 0.626594 0.051617 O\n0.758480 0.373406 0.948383 O\n0.893420 0.548189 0.604976 O\n0.409084 0.507028 0.358543 O\n0.590916 0.492972 0.641457 O\n0.390583 0.117085 0.314334 O\n0.739554 0.120789 0.293963 O\n0.106580 0.451811 0.395024 O\n0.741520 0.373406 0.448383 O\n0.682455 0.747742 0.399691 O\n",
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"formula_full": "Mg4 Cu4 P8 O28",
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{
"id": "mp-1222854",
"created_at": "2022-09-04T14:42:58.156553Z",
"structure_string": "Li2 Ti4 Co1 P4 O20\n1.0\n6.444193 0.000000 0.000000\n0.066093 7.330811 0.000000\n0.056784 0.032260 7.485272\nLi Ti Co P O\n2 4 1 4 20\ndirect\n0.000000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Li\n0.738589 0.727443 0.160759 Ti\n0.245009 0.215941 0.329784 Ti\n0.261411 0.272557 0.839241 Ti\n0.754991 0.784059 0.670216 Ti\n0.500000 0.500000 0.500000 Co\n0.247744 0.623989 0.126218 P\n0.752711 0.125981 0.376099 P\n0.752256 0.376011 0.873782 P\n0.247289 0.874019 0.623901 P\n0.442888 0.747003 0.630539 O\n0.557526 0.257250 0.869192 O\n0.557112 0.252997 0.369461 O\n0.442474 0.742750 0.130808 O\n0.252134 0.984156 0.447352 O\n0.752184 0.492166 0.044231 O\n0.747866 0.015844 0.552648 O\n0.247816 0.507834 0.955769 O\n0.733003 0.644764 0.386488 O\n0.233167 0.160450 0.108504 O\n0.266997 0.355236 0.613512 O\n0.766833 0.839550 0.891496 O\n0.942843 0.253228 0.377603 O\n0.054485 0.747350 0.135220 O\n0.057157 0.746772 0.622397 O\n0.945515 0.252650 0.864780 O\n0.748830 0.503996 0.703425 O\n0.239222 0.001535 0.786670 O\n0.251170 0.496004 0.296575 O\n0.760778 0.998465 0.213330 O\n",
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{
"id": "mp-1041899",
"created_at": "2022-09-04T14:41:00.337442Z",
"structure_string": "V4 Zn2 O8\n1.0\n-3.005408 3.024655 4.391855\n3.005408 -3.024655 4.391855\n3.005408 3.024655 -4.391855\nV Zn O\n4 2 8\ndirect\n0.617543 0.867543 0.750000 V\n0.382457 0.132457 0.250000 V\n0.000000 0.500000 0.500000 V\n0.500000 0.500000 0.000000 V\n0.000000 0.500000 0.000000 Zn\n0.000000 0.000000 0.500000 Zn\n0.772018 0.263295 0.508723 O\n0.251946 0.734309 0.982364 O\n0.254571 0.263295 0.991277 O\n0.251946 0.269582 0.517636 O\n0.748054 0.730418 0.482364 O\n0.748054 0.265691 0.017636 O\n0.745429 0.736705 0.008723 O\n0.227982 0.736705 0.491277 O\n",
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"formula_full": "V4 Zn2 O8",
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{
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