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{
"id": "mp-1102907",
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"structure_string": "Yb4 Ni4 Ge4\n1.0\n4.272237 0.000000 0.000000\n0.000000 6.920458 0.000000\n0.000000 0.000000 7.003468\nYb Ni Ge\n4 4 4\ndirect\n0.250000 0.017622 0.804359 Yb\n0.250000 0.517622 0.695641 Yb\n0.750000 0.982378 0.195641 Yb\n0.750000 0.482378 0.304359 Yb\n0.250000 0.811371 0.409551 Ni\n0.250000 0.311371 0.090449 Ni\n0.750000 0.188629 0.590449 Ni\n0.750000 0.688629 0.909551 Ni\n0.250000 0.184023 0.415059 Ge\n0.250000 0.684023 0.084941 Ge\n0.750000 0.815977 0.584941 Ge\n0.750000 0.315977 0.915059 Ge\n",
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{
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"structure_string": "Sb4 Cl4 F40\n1.0\n5.999575 0.000000 0.000000\n0.000000 8.371745 0.000000\n0.000000 0.000000 15.438805\nSb Cl F\n4 4 40\ndirect\n0.091938 0.750000 0.642159 Sb\n0.091938 0.250000 0.857841 Sb\n0.908062 0.250000 0.357841 Sb\n0.908062 0.750000 0.142159 Sb\n0.589025 0.750000 0.839251 Cl\n0.589025 0.250000 0.660749 Cl\n0.410975 0.250000 0.160749 Cl\n0.410975 0.750000 0.339251 Cl\n0.410295 0.449928 0.156826 F\n0.410295 0.550072 0.343174 F\n0.589705 0.949928 0.843174 F\n0.589705 0.050072 0.656826 F\n0.165374 0.750000 0.221001 F\n0.165374 0.250000 0.278999 F\n0.834626 0.250000 0.778999 F\n0.834626 0.750000 0.721001 F\n0.104670 0.750000 0.045244 F\n0.104670 0.250000 0.454756 F\n0.895330 0.250000 0.954756 F\n0.895330 0.750000 0.545244 F\n0.716281 0.750000 0.245245 F\n0.716281 0.250000 0.254755 F\n0.283719 0.250000 0.754755 F\n0.283719 0.750000 0.745245 F\n0.910846 0.977091 0.146446 F\n0.910846 0.022909 0.353554 F\n0.089154 0.477091 0.853554 F\n0.089154 0.522909 0.646446 F\n0.089154 0.022909 0.853554 F\n0.089154 0.977091 0.646446 F\n0.910846 0.522909 0.146446 F\n0.910846 0.477091 0.353554 F\n0.648640 0.750000 0.071043 F\n0.648640 0.250000 0.428957 F\n0.351360 0.250000 0.928957 F\n0.351360 0.750000 0.571043 F\n0.589705 0.550072 0.843174 F\n0.589705 0.449928 0.656826 F\n0.410295 0.050072 0.156826 F\n0.410295 0.949928 0.343174 F\n0.595113 0.750000 0.413654 F\n0.595113 0.250000 0.086346 F\n0.404887 0.250000 0.586346 F\n0.404887 0.750000 0.913654 F\n0.195177 0.750000 0.399601 F\n0.195177 0.250000 0.100399 F\n0.804823 0.250000 0.600399 F\n0.804823 0.750000 0.899601 F\n",
"nsites": 48,
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"formula_full": "Sb4 Cl4 F40",
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"spacegroup": 57
},
{
"id": "mp-775270",
"created_at": "2022-09-04T14:47:08.343811Z",
"structure_string": "Mn2 Co2 P4 O16\n1.0\n5.921744 0.000000 0.000000\n0.000000 4.836423 0.000000\n0.000000 0.218153 9.903500\nMn Co P O\n2 2 4 16\ndirect\n0.250000 0.563777 0.784273 Mn\n0.750000 0.436223 0.215727 Mn\n0.750000 0.054732 0.718655 Co\n0.250000 0.945268 0.281345 Co\n0.750000 0.582589 0.901949 P\n0.250000 0.087347 0.598075 P\n0.750000 0.912653 0.401925 P\n0.250000 0.417411 0.098051 P\n0.250000 0.348033 0.947016 O\n0.750000 0.270365 0.884102 O\n0.950094 0.736728 0.828577 O\n0.549906 0.736728 0.828577 O\n0.043905 0.224787 0.672194 O\n0.456095 0.224787 0.672194 O\n0.250000 0.770511 0.618967 O\n0.750000 0.840656 0.552573 O\n0.250000 0.159344 0.447427 O\n0.750000 0.229489 0.381033 O\n0.956095 0.775213 0.327806 O\n0.543905 0.775213 0.327806 O\n0.450094 0.263272 0.171423 O\n0.049906 0.263272 0.171423 O\n0.250000 0.729635 0.115898 O\n0.750000 0.651967 0.052984 O\n",
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"formula_full": "Mn2 Co2 P4 O16",
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},
{
"id": "mp-1147582",
"created_at": "2022-09-04T14:47:08.350580Z",
"structure_string": "Sr2 Cu1 S1 O2\n1.0\n3.902343 0.000000 0.000000\n0.000000 3.902343 0.000000\n0.000000 0.000000 6.881280\nSr Cu S O\n2 1 1 2\ndirect\n0.000000 0.000000 0.249157 Sr\n0.000000 0.000000 0.750843 Sr\n0.500000 0.500000 0.000000 Cu\n0.500000 0.500000 0.500000 S\n0.000000 0.500000 0.000000 O\n0.500000 0.000000 0.000000 O\n",
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"elements": [
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"density_atomic": 0.0572573365233957,
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"formula_full": "Sr2 Cu1 S1 O2",
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"spacegroup": 123
},
{
"id": "mp-1221435",
"created_at": "2022-09-04T14:47:08.358336Z",
"structure_string": "Pr20 Mo45 O90\n1.0\n-5.900779 -10.387170 -0.003821\n11.801558 -0.000000 0.000000\n0.000000 -6.918622 17.167375\nPr Mo O\n20 45 90\ndirect\n0.029475 0.848022 0.135037 Pr\n0.688177 0.844088 0.136044 Pr\n0.029475 0.181453 0.135037 Pr\n0.950501 0.475251 0.222361 Pr\n0.301747 0.825895 0.222484 Pr\n0.301747 0.475851 0.222484 Pr\n0.430891 0.715446 0.850128 Pr\n0.291896 0.145948 0.226384 Pr\n0.623829 0.479387 0.228955 Pr\n0.623829 0.144442 0.228955 Pr\n0.893881 0.446941 0.665708 Pr\n0.648294 0.490307 0.847348 Pr\n0.994305 0.497152 0.844510 Pr\n0.648294 0.157987 0.847348 Pr\n0.327743 0.663871 0.676093 Pr\n0.667381 0.001967 0.670614 Pr\n0.667381 0.665414 0.670614 Pr\n0.601482 0.300741 0.418393 Pr\n0.277237 0.973339 0.418084 Pr\n0.277237 0.303898 0.418084 Pr\n0.239839 0.370552 0.891197 Mo\n0.239839 0.869287 0.891197 Mo\n0.740235 0.870117 0.891025 Mo\n0.592747 0.296374 0.619529 Mo\n0.083657 0.788801 0.618916 Mo\n0.083657 0.294856 0.618916 Mo\n0.237438 0.118719 0.893533 Mo\n0.986218 0.867051 0.895295 Mo\n0.986218 0.119167 0.895295 Mo\n0.092527 0.046263 0.614473 Mo\n0.342576 0.305008 0.611670 Mo\n0.342576 0.037568 0.611670 Mo\n0.931615 0.854531 0.475900 Mo\n0.444238 0.597155 0.473573 Mo\n0.674445 0.082070 0.473965 Mo\n0.674445 0.592375 0.473965 Mo\n0.444238 0.847083 0.473573 Mo\n0.931615 0.077084 0.475900 Mo\n0.941067 0.212971 0.329949 Mo\n0.941067 0.728096 0.329949 Mo\n0.459453 0.729727 0.329499 Mo\n0.411565 0.079417 0.753768 Mo\n0.911835 0.830817 0.755872 Mo\n0.163574 0.331889 0.755151 Mo\n0.163574 0.831685 0.755151 Mo\n0.911835 0.081018 0.755872 Mo\n0.411565 0.332148 0.753768 Mo\n0.382866 0.079557 0.037002 Mo\n0.652696 0.579641 0.038409 Mo\n0.885766 0.305238 0.038422 Mo\n0.885766 0.580528 0.038422 Mo\n0.652696 0.073055 0.038409 Mo\n0.382866 0.303309 0.037002 Mo\n0.929084 0.586310 0.479949 Mo\n0.190968 0.595484 0.480798 Mo\n0.929084 0.342774 0.479949 Mo\n0.681394 0.840697 0.479226 Mo\n0.396262 0.821282 0.033654 Mo\n0.396262 0.574980 0.033654 Mo\n0.137185 0.568593 0.032699 Mo\n0.155908 0.077954 0.755843 Mo\n0.946204 0.973102 0.331428 Mo\n0.693549 0.721463 0.333190 Mo\n0.693549 0.972086 0.333190 Mo\n0.639055 0.319528 0.037087 Mo\n0.209693 0.490070 0.816592 O\n0.460950 0.973312 0.817469 O\n0.696277 0.718459 0.817946 O\n0.696277 0.977818 0.817946 O\n0.460950 0.487638 0.817469 O\n0.209693 0.719623 0.816592 O\n0.820069 0.910035 0.267932 O\n0.948889 0.230378 0.825553 O\n0.455660 0.227830 0.824631 O\n0.948889 0.718512 0.825553 O\n0.310586 0.155293 0.542377 O\n0.524762 0.018672 0.973184 O\n0.524762 0.506090 0.973184 O\n0.000357 0.500178 0.971474 O\n0.586119 0.920989 0.255053 O\n0.077985 0.159118 0.254812 O\n0.824263 0.668160 0.255572 O\n0.824263 0.156103 0.255572 O\n0.077985 0.918867 0.254812 O\n0.586119 0.665130 0.255053 O\n0.369311 0.019194 0.277385 O\n0.369311 0.350117 0.277385 O\n0.704240 0.352120 0.277385 O\n0.922308 0.961154 0.118674 O\n0.526836 0.763418 0.713609 O\n0.515495 0.885138 0.106632 O\n0.267974 0.383990 0.105326 O\n0.001183 0.627676 0.107390 O\n0.001183 0.373507 0.107390 O\n0.267974 0.883984 0.105326 O\n0.515495 0.630357 0.106632 O\n0.867349 0.189634 0.691199 O\n0.628259 0.441714 0.693377 O\n0.117201 0.675723 0.693438 O\n0.117201 0.441478 0.693438 O\n0.628259 0.186545 0.693377 O\n0.867349 0.677715 0.691199 O\n0.063460 0.531730 0.415415 O\n0.776318 0.262613 0.960443 O\n0.533695 0.266848 0.954957 O\n0.776318 0.513705 0.960443 O\n0.299584 0.401609 0.539117 O\n0.555963 0.159823 0.539067 O\n0.066231 0.905738 0.538135 O\n0.066231 0.160493 0.538135 O\n0.555963 0.396141 0.539067 O\n0.299584 0.897976 0.539117 O\n0.411029 0.205515 0.383145 O\n0.506793 0.129912 0.114618 O\n0.506793 0.376881 0.114618 O\n0.752978 0.376489 0.113263 O\n0.028955 0.014478 0.959905 O\n0.810421 0.275081 0.405366 O\n0.053374 0.778542 0.408144 O\n0.322152 0.534790 0.402743 O\n0.322152 0.787362 0.402743 O\n0.053374 0.274832 0.408144 O\n0.810421 0.535340 0.405366 O\n0.776645 0.008317 0.967512 O\n0.266824 0.256376 0.965606 O\n0.025475 0.767605 0.966954 O\n0.025475 0.257870 0.966954 O\n0.266824 0.010447 0.965606 O\n0.776645 0.768328 0.967512 O\n0.260505 0.630253 0.103377 O\n0.381335 0.928823 0.684907 O\n0.873132 0.936566 0.683349 O\n0.381335 0.452512 0.684907 O\n0.555673 0.041865 0.397379 O\n0.086636 0.043318 0.396541 O\n0.555673 0.513807 0.397379 O\n0.798749 0.399375 0.801150 O\n0.231045 0.115523 0.113650 O\n0.764565 0.646287 0.112169 O\n0.764565 0.118277 0.112169 O\n0.788376 0.894188 0.558839 O\n0.554290 0.655574 0.554180 O\n0.554290 0.898717 0.554180 O\n0.350180 0.675090 0.257226 O\n0.068226 0.391773 0.256172 O\n0.068226 0.676452 0.256172 O\n0.520527 0.760263 0.955204 O\n0.283801 0.524430 0.958129 O\n0.283801 0.759371 0.958129 O\n0.806524 0.403262 0.558414 O\n0.040226 0.636212 0.554956 O\n0.040226 0.404014 0.554956 O\n0.321865 0.660932 0.547998 O\n0.799647 0.143795 0.542502 O\n0.799647 0.655852 0.542502 O\n",
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{
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"created_at": "2022-09-04T14:47:08.364643Z",
"structure_string": "Hf2 Cu1 Si3\n1.0\n8.406066 0.000000 0.000000\n0.000000 8.406066 0.000000\n0.000000 0.000000 35.102160\nHf Cu Si\n2 1 3\ndirect\n0.500000 0.500000 0.243146 Hf\n0.500000 0.500000 0.756854 Hf\n0.500000 0.500000 0.500000 Cu\n0.500000 0.500000 0.690977 Si\n0.500000 0.500000 0.309023 Si\n0.500000 0.500000 0.000000 Si\n",
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{
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"structure_string": "Sr2 Nb4 Bi4 O18\n1.0\n2.823807 -12.702356 0.000000\n2.823807 12.702356 0.000000\n0.000000 0.000000 5.688484\nSr Nb Bi O\n2 4 4 18\ndirect\n0.251597 0.251597 0.016577 Sr\n0.748403 0.748403 0.516577 Sr\n0.833973 0.668603 0.024679 Nb\n0.331397 0.166027 0.524679 Nb\n0.668603 0.833973 0.024679 Nb\n0.166027 0.331397 0.524679 Nb\n0.486477 0.085965 0.934409 Bi\n0.513523 0.914035 0.434409 Bi\n0.914035 0.513523 0.434409 Bi\n0.085965 0.486477 0.934409 Bi\n0.541138 0.410509 0.283963 O\n0.458862 0.589491 0.783963 O\n0.589491 0.458862 0.783963 O\n0.410509 0.541138 0.283963 O\n0.057313 0.884776 0.330940 O\n0.942687 0.115224 0.830940 O\n0.115224 0.942687 0.830940 O\n0.884776 0.057313 0.330940 O\n0.227736 0.729059 0.225592 O\n0.772264 0.270941 0.725592 O\n0.193543 0.193543 0.565967 O\n0.806457 0.806457 0.065967 O\n0.486172 0.175987 0.562145 O\n0.513828 0.824013 0.062145 O\n0.824013 0.513828 0.062145 O\n0.175987 0.486172 0.562145 O\n0.729059 0.227736 0.225592 O\n0.270941 0.772264 0.725592 O\n",
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{
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