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{
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{
"id": "mp-21672",
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},
{
"id": "mp-989523",
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"structure_string": "Rb2 Na1 As1 F6\n1.0\n0.000000 4.406711 4.406711\n4.406711 0.000000 4.406711\n4.406711 4.406711 0.000000\nRb Na As F\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 As\n0.764155 0.235845 0.235845 F\n0.235845 0.235845 0.764155 F\n0.235845 0.764155 0.764155 F\n0.235845 0.764155 0.235845 F\n0.764155 0.235845 0.764155 F\n0.764155 0.764155 0.235845 F\n",
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"formula_full": "Rb2 Na1 As1 F6",
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},
{
"id": "mp-1214120",
"created_at": "2022-09-04T14:40:09.198253Z",
"structure_string": "Ca12 Si4 O26\n1.0\n5.090269 -8.816605 0.000000\n5.090269 8.816605 0.000000\n0.000000 0.000000 7.580399\nCa Si O\n12 4 26\ndirect\n0.666067 0.620940 0.621681 Ca\n0.954873 0.333933 0.621681 Ca\n0.379060 0.045127 0.621681 Ca\n0.333933 0.379060 0.378319 Ca\n0.045127 0.666067 0.378319 Ca\n0.620940 0.954873 0.378319 Ca\n0.334682 0.382062 0.870087 Ca\n0.047381 0.665318 0.870087 Ca\n0.617938 0.952619 0.870087 Ca\n0.382062 0.047381 0.129913 Ca\n0.665318 0.617938 0.129913 Ca\n0.952619 0.334682 0.129913 Ca\n0.333333 0.666667 0.655560 Si\n0.666667 0.333333 0.344440 Si\n0.333333 0.666667 0.094464 Si\n0.666667 0.333333 0.905536 Si\n0.412158 0.565347 0.147276 O\n0.153189 0.587842 0.147276 O\n0.434653 0.846811 0.147276 O\n0.586483 0.433058 0.396618 O\n0.846575 0.413517 0.396618 O\n0.566942 0.153425 0.396618 O\n0.413517 0.566942 0.603382 O\n0.153425 0.586483 0.603382 O\n0.433058 0.846575 0.603382 O\n0.235717 0.917419 0.880742 O\n0.681702 0.764283 0.880742 O\n0.082581 0.318298 0.880742 O\n0.228613 0.928016 0.369255 O\n0.699403 0.771387 0.369255 O\n0.071984 0.300597 0.369255 O\n0.318298 0.235717 0.119258 O\n0.917419 0.681702 0.119258 O\n0.764283 0.082581 0.119258 O\n0.333333 0.666667 0.874826 O\n0.666667 0.333333 0.125174 O\n0.300597 0.228613 0.630745 O\n0.928016 0.699403 0.630745 O\n0.771387 0.071984 0.630745 O\n0.587842 0.434653 0.852724 O\n0.846811 0.412158 0.852724 O\n0.565347 0.153189 0.852724 O\n",
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},
{
"id": "mp-556508",
"created_at": "2022-09-04T14:40:09.199244Z",
"structure_string": "K16 Th2 Mo12 O48\n1.0\n10.506195 0.000000 0.000000\n4.982406 9.261686 0.000000\n1.762664 3.156900 14.303217\nK Th Mo O\n16 2 12 48\ndirect\n0.995365 0.355788 0.456583 K\n0.666320 0.504176 0.949826 K\n0.990436 0.154285 0.041340 K\n0.333680 0.495824 0.050174 K\n0.009564 0.845715 0.958660 K\n0.323740 0.982908 0.552818 K\n0.310890 0.205160 0.951488 K\n0.689110 0.794840 0.048512 K\n0.004635 0.644212 0.543417 K\n0.016328 0.248850 0.748060 K\n0.983672 0.751150 0.251940 K\n0.676260 0.017092 0.447182 K\n0.332977 0.576467 0.751591 K\n0.669353 0.321920 0.541393 K\n0.667023 0.423533 0.248409 K\n0.330647 0.678080 0.458607 K\n0.308563 0.068538 0.248797 Th\n0.691437 0.931462 0.751203 Th\n0.670462 0.111848 0.155905 Mo\n0.348363 0.270403 0.646556 Mo\n0.990709 0.949257 0.645529 Mo\n0.331035 0.390919 0.343108 Mo\n0.668965 0.609081 0.656892 Mo\n0.001560 0.446169 0.149658 Mo\n0.329538 0.888152 0.844095 Mo\n0.334237 0.803357 0.143676 Mo\n0.998440 0.553831 0.850342 Mo\n0.651637 0.729597 0.353444 Mo\n0.665763 0.196643 0.856324 Mo\n0.009291 0.050743 0.354471 Mo\n0.372024 0.432100 0.602271 O\n0.202460 0.281704 0.588241 O\n0.498630 0.099808 0.166073 O\n0.358821 0.706301 0.901211 O\n0.007422 0.616963 0.103479 O\n0.175192 0.807173 0.110135 O\n0.797540 0.718296 0.411759 O\n0.992578 0.383037 0.896521 O\n0.642493 0.509487 0.767415 O\n0.852843 0.193155 0.394918 O\n0.803736 0.983390 0.092260 O\n0.512544 0.096371 0.633538 O\n0.965730 0.429558 0.271260 O\n0.305696 0.257149 0.767359 O\n0.822841 0.482679 0.603008 O\n0.488909 0.321484 0.411093 O\n0.696480 0.764819 0.670752 O\n0.501370 0.900192 0.833927 O\n0.303520 0.235181 0.329248 O\n0.053248 0.093716 0.230764 O\n0.177159 0.517321 0.396992 O\n0.660793 0.196301 0.733041 O\n0.857699 0.448617 0.094268 O\n0.627976 0.567900 0.397729 O\n0.034270 0.570442 0.728740 O\n0.010854 0.876147 0.393850 O\n0.511091 0.678516 0.588907 O\n0.946752 0.906284 0.769236 O\n0.196264 0.016610 0.907740 O\n0.339207 0.803699 0.266959 O\n0.744004 0.071718 0.268067 O\n0.171380 0.038479 0.398011 O\n0.672176 0.015276 0.899777 O\n0.828620 0.961521 0.601989 O\n0.989146 0.123853 0.606150 O\n0.357507 0.490513 0.232585 O\n0.824808 0.192827 0.889865 O\n0.487456 0.903629 0.366462 O\n0.147157 0.806845 0.605082 O\n0.142301 0.551383 0.905732 O\n0.327824 0.984724 0.100223 O\n0.255996 0.928282 0.731933 O\n0.179882 0.289255 0.132244 O\n0.494877 0.668497 0.100718 O\n0.694304 0.742851 0.232641 O\n0.641179 0.293699 0.098789 O\n0.505123 0.331503 0.899282 O\n0.820118 0.710745 0.867756 O\n",
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],
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"formula_full": "K16 Th2 Mo12 O48",
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{
"id": "mp-14941",
"created_at": "2022-09-04T14:40:09.201158Z",
"structure_string": "Al8 Pb12 F48\n1.0\n9.812270 0.000000 0.000000\n0.000000 9.564301 0.000000\n0.000000 9.381589 10.403405\nAl Pb F\n8 12 48\ndirect\n0.362987 0.267911 0.423060 Al\n0.862987 0.732089 0.076940 Al\n0.637013 0.732089 0.576940 Al\n0.137013 0.267911 0.923060 Al\n0.650303 0.051926 0.629828 Al\n0.150303 0.948074 0.870172 Al\n0.349697 0.948074 0.370172 Al\n0.849697 0.051926 0.129828 Al\n0.001986 0.719617 0.487858 Pb\n0.501986 0.280383 0.012142 Pb\n0.998014 0.280383 0.512142 Pb\n0.498014 0.719617 0.987858 Pb\n0.213595 0.762167 0.208820 Pb\n0.713595 0.237833 0.291180 Pb\n0.786405 0.237833 0.791180 Pb\n0.286405 0.762167 0.708820 Pb\n0.104780 0.341997 0.176410 Pb\n0.604780 0.658003 0.323590 Pb\n0.895220 0.658003 0.823590 Pb\n0.395220 0.341997 0.676410 Pb\n0.960380 0.227587 0.344346 F\n0.460380 0.772413 0.155654 F\n0.039620 0.772413 0.655654 F\n0.539620 0.227587 0.844346 F\n0.374517 0.558437 0.931928 F\n0.874517 0.441563 0.568072 F\n0.625483 0.441563 0.068072 F\n0.125483 0.558437 0.431928 F\n0.766668 0.837447 0.454191 F\n0.266668 0.162553 0.045809 F\n0.233332 0.162553 0.545809 F\n0.733332 0.837447 0.954191 F\n0.585820 0.568980 0.557176 F\n0.085820 0.431020 0.942824 F\n0.414180 0.431020 0.442824 F\n0.914180 0.568980 0.057176 F\n0.507594 0.643698 0.695056 F\n0.261763 0.434088 0.799657 F\n0.738237 0.565912 0.200343 F\n0.238237 0.434088 0.299657 F\n0.086571 0.159740 0.718218 F\n0.586571 0.840260 0.781782 F\n0.913429 0.840260 0.281782 F\n0.413429 0.159740 0.218218 F\n0.102506 0.808323 0.831563 F\n0.602506 0.191677 0.668437 F\n0.897494 0.191677 0.168437 F\n0.397494 0.808323 0.331563 F\n0.714986 0.256902 0.472653 F\n0.214986 0.743098 0.027347 F\n0.285014 0.743098 0.527347 F\n0.785014 0.256902 0.972653 F\n0.823902 0.007271 0.693184 F\n0.323902 0.992729 0.806816 F\n0.176098 0.992729 0.306816 F\n0.676098 0.007271 0.193184 F\n0.693922 0.905948 0.589395 F\n0.193922 0.094052 0.910605 F\n0.306078 0.094052 0.410605 F\n0.806078 0.905948 0.089395 F\n0.519466 0.913238 0.443919 F\n0.019466 0.086762 0.056081 F\n0.480534 0.086762 0.556081 F\n0.980534 0.913238 0.943919 F\n0.992406 0.643698 0.195056 F\n0.492406 0.356302 0.304944 F\n0.007594 0.356302 0.804944 F\n0.761763 0.565912 0.700343 F\n",
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{
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{
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"structure_string": "Ca2 Ni4 O8\n1.0\n6.078134 0.000000 0.000000\n-2.866237 5.361902 0.000000\n-0.328813 -3.444257 5.020033\nCa Ni O\n2 4 8\ndirect\n0.249711 0.877498 0.877454 Ca\n0.750289 0.122502 0.122546 Ca\n0.500000 0.500000 0.500000 Ni\n0.000000 0.000000 0.500000 Ni\n0.500000 0.500000 0.000000 Ni\n0.000000 0.500000 0.500000 Ni\n0.500149 0.688656 0.237822 O\n0.072111 0.306159 0.688783 O\n0.427230 0.233706 0.258584 O\n0.004645 0.738280 0.689382 O\n0.572770 0.766294 0.741416 O\n0.927889 0.693841 0.311217 O\n0.995355 0.261720 0.310618 O\n0.499851 0.311344 0.762178 O\n",
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{
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{
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"structure_string": "Fe3 H6 C6 N6 Cl8\n1.0\n4.977449 -8.621195 0.000000\n4.977449 8.621195 0.000000\n0.000000 0.000000 6.152648\nFe H C N Cl\n3 6 6 6 8\ndirect\n0.000000 0.000000 0.000000 Fe\n0.333333 0.666667 0.141075 Fe\n0.666667 0.333333 0.858925 Fe\n0.086033 0.390376 0.650324 H\n0.304344 0.913967 0.650324 H\n0.609624 0.695656 0.650324 H\n0.913967 0.609624 0.349676 H\n0.695656 0.086033 0.349676 H\n0.390376 0.304344 0.349676 H\n0.063004 0.285363 0.735074 C\n0.222359 0.936996 0.735074 C\n0.714637 0.777641 0.735074 C\n0.936996 0.714637 0.264926 C\n0.777641 0.063004 0.264926 C\n0.285363 0.222359 0.264926 C\n0.039339 0.174256 0.827212 N\n0.134917 0.960661 0.827212 N\n0.825744 0.865083 0.827212 N\n0.960661 0.825744 0.172788 N\n0.865083 0.039339 0.172788 N\n0.174256 0.134917 0.172788 N\n0.333333 0.666667 0.781357 Cl\n0.666667 0.333333 0.218643 Cl\n0.520067 0.627267 0.257326 Cl\n0.107200 0.479933 0.257326 Cl\n0.372733 0.892800 0.257326 Cl\n0.479933 0.372733 0.742674 Cl\n0.892800 0.520067 0.742674 Cl\n0.627267 0.107200 0.742674 Cl\n",
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