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{
"id": "mp-1227186",
"created_at": "2022-09-04T14:47:08.359435Z",
"structure_string": "Ca2 La2 Al6 O14\n1.0\n7.875454 0.000000 0.000000\n0.000000 5.206313 0.000000\n0.000000 0.103853 7.870108\nCa La Al O\n2 2 6 14\ndirect\n0.665275 0.987031 0.920918 Ca\n0.165275 0.012969 0.079082 Ca\n0.339747 0.986648 0.595300 La\n0.839747 0.013352 0.404700 La\n0.856605 0.541803 0.102819 Al\n0.356605 0.458197 0.897181 Al\n0.143827 0.538892 0.389622 Al\n0.643827 0.461108 0.610378 Al\n0.500545 0.500484 0.250600 Al\n0.000545 0.499516 0.749400 Al\n0.504518 0.316226 0.756699 O\n0.004518 0.683774 0.243301 O\n0.854964 0.205372 0.116205 O\n0.354964 0.794628 0.883795 O\n0.137188 0.202427 0.398100 O\n0.637188 0.797573 0.601900 O\n0.840808 0.309908 0.653243 O\n0.340808 0.690092 0.346757 O\n0.164301 0.303135 0.834869 O\n0.664301 0.696865 0.165131 O\n0.905208 0.690734 0.906123 O\n0.405208 0.309266 0.093877 O\n0.087013 0.695043 0.583058 O\n0.587013 0.304957 0.416942 O\n",
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"formula_full": "Ca2 La2 Al6 O14",
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{
"id": "mp-752393",
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"structure_string": "Be4 P4 O14\n1.0\n3.707899 3.328984 0.000000\n-3.707899 3.328984 0.000000\n0.000000 3.133493 8.320651\nBe P O\n4 4 14\ndirect\n0.608519 0.272447 0.472599 Be\n0.727553 0.391481 0.027401 Be\n0.272447 0.608519 0.972599 Be\n0.391481 0.727553 0.527401 Be\n0.794277 0.812434 0.204204 P\n0.812434 0.794277 0.704204 P\n0.187566 0.205723 0.295796 P\n0.205723 0.187566 0.795796 P\n0.945326 0.302646 0.395123 O\n0.886578 0.601764 0.108957 O\n0.578476 0.649201 0.364911 O\n0.072259 0.927741 0.250000 O\n0.302646 0.945326 0.895123 O\n0.601764 0.886578 0.608957 O\n0.649201 0.578476 0.864911 O\n0.350799 0.421524 0.135089 O\n0.398236 0.113422 0.391043 O\n0.697354 0.054674 0.104877 O\n0.927741 0.072259 0.750000 O\n0.421524 0.350799 0.635089 O\n0.113422 0.398236 0.891043 O\n0.054674 0.697354 0.604877 O\n",
"nsites": 22,
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"elements": [
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"formula_full": "Be4 P4 O14",
"formula_reduced": "Be2P2O7",
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"spacegroup": 15
},
{
"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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"volume": 2104.7710323111723,
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"formula_full": "Pr20 Mo45 O90",
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"spacegroup": 8
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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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{
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"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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{
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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",
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{
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