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{
"id": "mp-1101558",
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"structure_string": "Fe12 P16 O60\n1.0\n6.427946 0.000000 0.000000\n0.000000 11.000145 0.000000\n0.000000 0.000000 17.592032\nFe P O\n12 16 60\ndirect\n0.077573 0.508371 0.132351 Fe\n0.092801 0.982414 0.141715 Fe\n0.816147 0.259128 0.247952 Fe\n0.316147 0.759128 0.252048 Fe\n0.592801 0.482414 0.358285 Fe\n0.577573 0.008371 0.367649 Fe\n0.077573 0.991629 0.632351 Fe\n0.092801 0.517586 0.641715 Fe\n0.816147 0.240872 0.747952 Fe\n0.316147 0.740872 0.752048 Fe\n0.592801 0.017586 0.858285 Fe\n0.577573 0.491629 0.867649 Fe\n0.175980 0.766215 0.064211 P\n0.954941 0.243879 0.077204 P\n0.575677 0.523722 0.186964 P\n0.584804 0.001443 0.204986 P\n0.084804 0.501443 0.295014 P\n0.075677 0.023722 0.313036 P\n0.454941 0.743879 0.422796 P\n0.675980 0.266215 0.435789 P\n0.175980 0.733785 0.564211 P\n0.954941 0.256121 0.577204 P\n0.575677 0.976278 0.686964 P\n0.584804 0.498557 0.704986 P\n0.084804 0.998557 0.795014 P\n0.075677 0.476278 0.813036 P\n0.454941 0.756121 0.922796 P\n0.675980 0.233785 0.935789 P\n0.360230 0.780989 0.004866 O\n0.032720 0.876254 0.052543 O\n0.082955 0.640397 0.056650 O\n0.071931 0.364013 0.070285 O\n0.098440 0.136144 0.089852 O\n0.386703 0.497394 0.136691 O\n0.770962 0.533674 0.137666 O\n0.781688 0.249539 0.137460 O\n0.275315 0.788854 0.143036 O\n0.402084 0.021582 0.151423 O\n0.783725 0.978102 0.159885 O\n0.039886 0.396376 0.236258 O\n0.608264 0.417133 0.247177 O\n0.111584 0.612535 0.238417 O\n0.543537 0.638410 0.237106 O\n0.043537 0.138410 0.262894 O\n0.611584 0.112535 0.261583 O\n0.108264 0.917133 0.252823 O\n0.539886 0.896376 0.263742 O\n0.283725 0.478102 0.340115 O\n0.902084 0.521582 0.348577 O\n0.775315 0.288854 0.356964 O\n0.281688 0.749539 0.362540 O\n0.270962 0.033674 0.362334 O\n0.886703 0.997394 0.363309 O\n0.598440 0.636144 0.410148 O\n0.571931 0.864013 0.429715 O\n0.582955 0.140397 0.443350 O\n0.532720 0.376254 0.447457 O\n0.860230 0.280989 0.495134 O\n0.360230 0.719011 0.504866 O\n0.032720 0.623746 0.552543 O\n0.082955 0.859603 0.556650 O\n0.071931 0.135987 0.570285 O\n0.098440 0.363856 0.589852 O\n0.386703 0.002606 0.636691 O\n0.770962 0.966326 0.637666 O\n0.781688 0.250461 0.637460 O\n0.275315 0.711146 0.643036 O\n0.402084 0.478418 0.651423 O\n0.783725 0.521898 0.659885 O\n0.039886 0.103624 0.736258 O\n0.608264 0.082867 0.747177 O\n0.111584 0.887465 0.738417 O\n0.543537 0.861590 0.737106 O\n0.043537 0.361590 0.762894 O\n0.611584 0.387465 0.761583 O\n0.108264 0.582867 0.752823 O\n0.539886 0.603624 0.763742 O\n0.283725 0.021898 0.840115 O\n0.902084 0.978418 0.848577 O\n0.775315 0.211146 0.856964 O\n0.281688 0.750461 0.862540 O\n0.270962 0.466326 0.862334 O\n0.886703 0.502606 0.863309 O\n0.598440 0.863856 0.910148 O\n0.571931 0.635987 0.929715 O\n0.582955 0.359603 0.943350 O\n0.532720 0.123746 0.947457 O\n0.860230 0.219011 0.995134 O\n",
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"formula_full": "Fe12 P16 O60",
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"spacegroup": 33
},
{
"id": "mp-1567719",
"created_at": "2022-09-04T14:47:00.621486Z",
"structure_string": "Fe2 Mo4 H14 O22\n1.0\n-0.175114 -5.849151 0.416677\n-5.098110 -2.641220 -5.388582\n10.724966 0.700517 -5.553755\nFe Mo H O\n2 4 14 22\ndirect\n0.257648 0.485331 0.237940 Fe\n0.758090 0.485476 0.738153 Fe\n0.631788 0.783367 0.283009 Mo\n0.131798 0.783382 0.782794 Mo\n0.877654 0.206339 0.211074 Mo\n0.377793 0.206331 0.711063 Mo\n0.659437 0.350503 0.895250 H\n0.159028 0.350506 0.395155 H\n0.941769 0.294282 0.899236 H\n0.441418 0.294653 0.399421 H\n0.346088 0.633922 0.086732 H\n0.846173 0.633785 0.586660 H\n0.080360 0.729074 0.116051 H\n0.580509 0.729081 0.616058 H\n0.816791 0.022359 0.464586 H\n0.316402 0.022683 0.964510 H\n0.480259 0.135404 0.065840 H\n0.980757 0.135233 0.565947 H\n0.502495 0.917142 0.061668 H\n0.003277 0.916798 0.561575 H\n0.799158 0.395285 0.890123 O\n0.298643 0.395279 0.389921 O\n0.200025 0.604060 0.098402 O\n0.700072 0.604013 0.598404 O\n0.089805 0.008471 0.878110 O\n0.591081 0.007811 0.378949 O\n0.957382 0.964591 0.158674 O\n0.457960 0.964551 0.658703 O\n0.473714 0.011732 0.012068 O\n0.974272 0.011561 0.512170 O\n0.445295 0.662864 0.319140 O\n0.945354 0.663088 0.819262 O\n0.942938 0.655250 0.296197 O\n0.443047 0.655320 0.796295 O\n0.581474 0.297948 0.658006 O\n0.081467 0.297839 0.157979 O\n0.056425 0.299051 0.666806 O\n0.556325 0.299082 0.166814 O\n0.549199 0.790688 0.136913 O\n0.049863 0.789625 0.636539 O\n0.413503 0.265139 0.861922 O\n0.913464 0.265098 0.361882 O\n",
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"formula_full": "Fe2 Mo4 H14 O22",
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"updated_at": "2021-11-28T01:37:45.260000Z",
"spacegroup": 1
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{
"id": "mp-1094597",
"created_at": "2022-09-04T14:47:00.622022Z",
"structure_string": "Zr8 Sn8\n1.0\n5.315237 0.000000 0.000000\n0.000000 6.018156 0.000000\n0.000000 0.000000 11.692749\nZr Sn\n8 8\ndirect\n0.000000 0.000000 0.828038 Zr\n0.000000 0.000000 0.306065 Zr\n0.000000 0.748781 0.573953 Zr\n0.000000 0.251219 0.573953 Zr\n0.500000 0.751219 0.426047 Zr\n0.500000 0.500000 0.693935 Zr\n0.500000 0.500000 0.171962 Zr\n0.500000 0.248781 0.426047 Zr\n0.000000 0.745029 0.067341 Sn\n0.000000 0.500000 0.800142 Sn\n0.000000 0.500000 0.345037 Sn\n0.000000 0.254971 0.067341 Sn\n0.500000 0.000000 0.654963 Sn\n0.500000 0.000000 0.199858 Sn\n0.500000 0.754971 0.932659 Sn\n0.500000 0.245029 0.932659 Sn\n",
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"formula_full": "Zr8 Sn8",
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{
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"created_at": "2022-09-04T14:47:00.624356Z",
"structure_string": "Mn4 Al6 Si6 O28\n1.0\n5.760769 0.000000 0.000000\n0.000000 8.573958 0.000000\n0.000000 3.233050 9.428311\nMn Al Si O\n4 6 6 28\ndirect\n0.250000 0.192691 0.694649 Mn\n0.750000 0.807309 0.305351 Mn\n0.250000 0.256791 0.321867 Mn\n0.750000 0.743209 0.678133 Mn\n0.500000 0.000000 0.000000 Al\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.500000 Al\n0.000000 0.500000 0.500000 Al\n0.500000 0.500000 0.000000 Al\n0.000000 0.500000 0.000000 Al\n0.250000 0.690778 0.194745 Si\n0.750000 0.309222 0.805255 Si\n0.250000 0.849755 0.494222 Si\n0.750000 0.150245 0.505778 Si\n0.250000 0.795999 0.803140 Si\n0.750000 0.204001 0.196860 Si\n0.250000 0.553308 0.356361 O\n0.750000 0.446692 0.643639 O\n0.476649 0.813286 0.168628 O\n0.523351 0.186714 0.831372 O\n0.976649 0.186714 0.831372 O\n0.023351 0.813286 0.168628 O\n0.250000 0.593755 0.078985 O\n0.750000 0.406245 0.921015 O\n0.250000 0.929968 0.890521 O\n0.750000 0.070032 0.109479 O\n0.250000 0.091053 0.061677 O\n0.750000 0.908947 0.938323 O\n0.250000 0.011664 0.359380 O\n0.750000 0.988336 0.640620 O\n0.983253 0.319562 0.171876 O\n0.016747 0.680438 0.828124 O\n0.483253 0.680438 0.828124 O\n0.516747 0.319562 0.171876 O\n0.250000 0.429646 0.621061 O\n0.750000 0.570354 0.378939 O\n0.487318 0.730815 0.505960 O\n0.512682 0.269185 0.494040 O\n0.987318 0.269185 0.494040 O\n0.012682 0.730815 0.505960 O\n0.250000 0.412410 0.930461 O\n0.750000 0.587590 0.069539 O\n0.250000 0.915126 0.635586 O\n0.750000 0.084874 0.364414 O\n",
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{
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"structure_string": "Co1 Ni1 Se2\n1.0\n1.827334 -3.165035 0.000000\n1.827334 3.165035 0.000000\n0.000000 0.000000 5.171631\nCo Ni Se\n1 1 2\ndirect\n0.000000 0.000000 0.500000 Co\n0.000000 0.000000 0.000000 Ni\n0.333333 0.666667 0.263294 Se\n0.666667 0.333333 0.736706 Se\n",
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{
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{
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"structure_string": "Li2 Au2 F8\n1.0\n3.207987 5.555473 0.000000\n-3.207987 5.555473 0.000000\n0.000000 1.976585 4.604592\nLi Au F\n2 2 8\ndirect\n0.331727 0.668273 0.250000 Li\n0.668273 0.331727 0.750000 Li\n0.000000 0.500000 0.000000 Au\n0.500000 0.000000 0.500000 Au\n0.020240 0.727657 0.162274 F\n0.727657 0.020240 0.662274 F\n0.493368 0.285758 0.178783 F\n0.285758 0.493368 0.678783 F\n0.506632 0.714242 0.821217 F\n0.714242 0.506632 0.321217 F\n0.979760 0.272343 0.837726 F\n0.272343 0.979760 0.337726 F\n",
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{
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