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{
"id": "mp-757454",
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"structure_string": "Mn12 Pb2 O24\n1.0\n4.506856 6.915881 0.000000\n-4.506856 6.915881 0.000000\n0.000000 6.728407 7.054736\nMn Pb O\n12 2 24\ndirect\n0.670034 0.002394 0.815235 Mn\n0.186775 0.518676 0.479809 Mn\n0.854631 0.854631 0.473209 Mn\n0.813225 0.481324 0.520191 Mn\n0.329966 0.997606 0.184765 Mn\n0.997606 0.329966 0.184765 Mn\n0.333198 0.333198 0.818449 Mn\n0.002394 0.670034 0.815235 Mn\n0.518676 0.186775 0.479809 Mn\n0.481324 0.813225 0.520191 Mn\n0.145369 0.145369 0.526791 Mn\n0.666802 0.666802 0.181551 Mn\n0.270923 0.729077 0.000000 Pb\n0.729077 0.270923 0.000000 Pb\n0.705253 0.705253 0.943903 O\n0.015805 0.673783 0.347349 O\n0.673783 0.015805 0.347349 O\n0.679595 0.013099 0.609778 O\n0.013099 0.679595 0.609778 O\n0.044080 0.044080 0.278068 O\n0.710768 0.377185 0.275769 O\n0.377185 0.710768 0.275769 O\n0.986901 0.320405 0.390222 O\n0.984195 0.326217 0.652651 O\n0.030924 0.372384 0.945028 O\n0.372384 0.030924 0.945028 O\n0.294747 0.294747 0.056097 O\n0.969076 0.627616 0.054972 O\n0.339853 0.339853 0.357628 O\n0.348061 0.348061 0.609562 O\n0.289232 0.622815 0.724231 O\n0.622815 0.289232 0.724231 O\n0.955920 0.955920 0.721932 O\n0.651939 0.651939 0.390438 O\n0.320405 0.986901 0.390222 O\n0.660147 0.660147 0.642372 O\n0.326217 0.984195 0.652651 O\n0.627616 0.969076 0.054972 O\n",
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{
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"structure_string": "Fe6 O6 F6\n1.0\n3.089635 0.000000 0.000000\n0.000000 4.758065 0.000000\n0.000000 0.055195 14.170363\nFe O F\n6 6 6\ndirect\n0.000000 0.994306 0.999273 Fe\n0.000000 0.979758 0.671109 Fe\n0.000000 0.986885 0.331461 Fe\n0.500000 0.484617 0.812458 Fe\n0.500000 0.550263 0.502596 Fe\n0.500000 0.499314 0.186655 Fe\n0.500000 0.811027 0.733522 O\n0.500000 0.812539 0.397185 O\n0.000000 0.696172 0.229085 O\n0.000000 0.706404 0.566099 O\n0.000000 0.296202 0.764577 O\n0.500000 0.186083 0.271697 O\n0.500000 0.785234 0.064962 F\n0.000000 0.686703 0.900015 F\n0.000000 0.313179 0.438259 F\n0.000000 0.300519 0.099444 F\n0.500000 0.208580 0.933736 F\n0.500000 0.202215 0.597864 F\n",
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"elements": [
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"formula_full": "Fe6 O6 F6",
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},
{
"id": "mp-757452",
"created_at": "2022-09-04T14:39:39.259736Z",
"structure_string": "Mn3 Fe2 Co1 P6 O24\n1.0\n7.286332 -4.267521 0.000000\n7.286332 4.267521 0.000000\n4.786894 0.000000 6.956149\nMn Fe Co P O\n3 2 1 6 24\ndirect\n0.641336 0.641336 0.641336 Mn\n0.858773 0.858773 0.858773 Mn\n0.358027 0.358027 0.358027 Mn\n0.000959 0.000959 0.000959 Fe\n0.499263 0.499263 0.499263 Fe\n0.140357 0.140357 0.140357 Co\n0.960651 0.248383 0.539588 P\n0.539588 0.960651 0.248383 P\n0.248383 0.539588 0.960651 P\n0.752160 0.458328 0.039673 P\n0.458328 0.039673 0.752160 P\n0.039673 0.752160 0.458328 P\n0.509903 0.117730 0.310973 O\n0.310973 0.509903 0.117730 O\n0.117730 0.310973 0.509903 O\n0.941407 0.089122 0.743645 O\n0.991090 0.186147 0.383030 O\n0.758977 0.412871 0.557956 O\n0.743645 0.941407 0.089122 O\n0.557956 0.758977 0.412871 O\n0.813114 0.617314 0.007571 O\n0.412871 0.557956 0.758977 O\n0.915880 0.257963 0.055447 O\n0.617314 0.007571 0.813114 O\n0.383030 0.991090 0.186147 O\n0.089122 0.743645 0.941407 O\n0.586669 0.445602 0.237855 O\n0.186147 0.383030 0.991090 O\n0.445602 0.237855 0.586669 O\n0.257963 0.055447 0.915880 O\n0.237855 0.586669 0.445602 O\n0.007571 0.813114 0.617314 O\n0.055447 0.915880 0.257963 O\n0.883131 0.683483 0.495622 O\n0.683483 0.495622 0.883131 O\n0.495622 0.883131 0.683483 O\n",
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"elements": [
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"density": 3.4748940990613413,
"density_atomic": 0.08321833193234936,
"volume": 432.5969911204837,
"volume_molar": 7.236555480222286,
"formula_full": "Mn3 Fe2 Co1 P6 O24",
"formula_reduced": "Mn3Fe2Co(PO4)6",
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},
{
"id": "mp-757451",
"created_at": "2022-09-04T14:40:32.324018Z",
"structure_string": "Li12 Fe4 P8 O32\n1.0\n-0.295430 5.294402 7.059367\n-0.297333 -5.296588 7.060944\n8.558590 -5.293915 -0.258144\nLi Fe P O\n12 4 8 32\ndirect\n0.557626 0.792274 0.015399 Li\n0.057669 0.292253 0.015423 Li\n0.942363 0.707711 0.984615 Li\n0.442342 0.207704 0.984628 Li\n0.519381 0.996720 0.273782 Li\n0.019391 0.496705 0.273780 Li\n0.980632 0.503272 0.726253 Li\n0.480617 0.003289 0.726252 Li\n0.896930 0.802733 0.344620 Li\n0.396962 0.302754 0.344621 Li\n0.603091 0.697256 0.655398 Li\n0.103040 0.197251 0.655385 Li\n0.228992 0.727513 0.251445 Fe\n0.270902 0.772420 0.748537 Fe\n0.729094 0.227544 0.251382 Fe\n0.771016 0.272564 0.748501 Fe\n0.784968 0.988596 0.046285 P\n0.284962 0.488553 0.046293 P\n0.715028 0.511473 0.953681 P\n0.215062 0.011399 0.953719 P\n0.690675 0.541957 0.398691 P\n0.190730 0.041945 0.398715 P\n0.809255 0.958095 0.601280 P\n0.309346 0.457993 0.601289 P\n0.334768 0.621862 0.962800 O\n0.834735 0.121902 0.962761 O\n0.165232 0.878126 0.037206 O\n0.665199 0.378173 0.037122 O\n0.360752 0.042214 0.068628 O\n0.860797 0.542179 0.068652 O\n0.139195 0.457818 0.931387 O\n0.639212 0.957760 0.931403 O\n0.757262 0.672600 0.333587 O\n0.257188 0.172717 0.333550 O\n0.742823 0.827314 0.666470 O\n0.242719 0.327366 0.666415 O\n0.707040 0.039292 0.417383 O\n0.207026 0.539301 0.417380 O\n0.792967 0.460718 0.582604 O\n0.292950 0.960711 0.582632 O\n0.716051 0.044295 0.156715 O\n0.216048 0.544293 0.156697 O\n0.950976 0.809265 0.156624 O\n0.450994 0.309282 0.156605 O\n0.548987 0.690735 0.843364 O\n0.049049 0.190717 0.843413 O\n0.783984 0.455720 0.843311 O\n0.283941 0.955687 0.843283 O\n0.488836 0.633226 0.346393 O\n0.988857 0.133245 0.346393 O\n0.728770 0.392301 0.346463 O\n0.228771 0.892317 0.346426 O\n0.771238 0.107713 0.653592 O\n0.271212 0.607633 0.653516 O\n0.011105 0.866800 0.653594 O\n0.511244 0.366747 0.653657 O\n",
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"formula_full": "Li12 Fe4 P8 O32",
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{
"id": "mp-757450",
"created_at": "2022-09-04T14:41:32.946050Z",
"structure_string": "Sc4 Ge4 O14\n1.0\n0.000000 4.859757 4.859757\n4.859757 0.000000 4.859757\n4.859757 4.859757 0.000000\nSc Ge O\n4 4 14\ndirect\n0.625000 0.625000 0.625000 Sc\n0.125000 0.625000 0.625000 Sc\n0.625000 0.125000 0.625000 Sc\n0.625000 0.625000 0.125000 Sc\n0.125000 0.625000 0.125000 Ge\n0.125000 0.125000 0.625000 Ge\n0.625000 0.125000 0.125000 Ge\n0.125000 0.125000 0.125000 Ge\n0.750000 0.750000 0.750000 O\n0.208343 0.791657 0.791657 O\n0.208343 0.791657 0.208343 O\n0.791657 0.791657 0.208343 O\n0.791657 0.208343 0.791657 O\n0.208343 0.208343 0.791657 O\n0.458343 0.041657 0.041657 O\n0.791657 0.208343 0.208343 O\n0.041657 0.458343 0.041657 O\n0.041657 0.041657 0.458343 O\n0.458343 0.458343 0.041657 O\n0.458343 0.041657 0.458343 O\n0.041657 0.458343 0.458343 O\n0.500000 0.500000 0.500000 O\n",
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{
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"structure_string": "Li8 Fe8 Si16 O48\n1.0\n5.309701 0.000000 0.000000\n0.000000 8.838545 0.000000\n0.000000 0.000000 18.244262\nLi Fe Si O\n8 8 16 48\ndirect\n0.614789 0.999756 0.124948 Li\n0.114789 0.500244 0.124948 Li\n0.114789 0.000244 0.375052 Li\n0.614789 0.499756 0.375052 Li\n0.385211 0.500244 0.624948 Li\n0.885211 0.999756 0.624948 Li\n0.385211 0.000244 0.875052 Li\n0.885211 0.499756 0.875052 Li\n0.615670 0.646766 0.125069 Fe\n0.115670 0.853234 0.125069 Fe\n0.115670 0.353234 0.374931 Fe\n0.615670 0.146766 0.374931 Fe\n0.384330 0.853234 0.625069 Fe\n0.884330 0.646766 0.625069 Fe\n0.384330 0.353234 0.874931 Fe\n0.884330 0.146766 0.874931 Fe\n0.716896 0.337458 0.025121 Si\n0.216896 0.162542 0.025121 Si\n0.443187 0.338668 0.225615 Si\n0.943187 0.161332 0.225615 Si\n0.443187 0.838668 0.274385 Si\n0.943187 0.661332 0.274385 Si\n0.716896 0.837458 0.474879 Si\n0.216896 0.662542 0.474879 Si\n0.783104 0.337458 0.525121 Si\n0.283104 0.162542 0.525121 Si\n0.056813 0.338668 0.725615 Si\n0.556813 0.161332 0.725615 Si\n0.056813 0.838668 0.774385 Si\n0.556813 0.661332 0.774385 Si\n0.783104 0.837458 0.974879 Si\n0.283104 0.662542 0.974879 Si\n0.434472 0.283691 0.052105 O\n0.934472 0.216309 0.052105 O\n0.788437 0.833436 0.065866 O\n0.288437 0.666564 0.065866 O\n0.785491 0.497959 0.062978 O\n0.285491 0.002041 0.062978 O\n0.442958 0.832160 0.183683 O\n0.942958 0.667840 0.183683 O\n0.949363 0.993063 0.191296 O\n0.449363 0.506937 0.191296 O\n0.175545 0.266951 0.195535 O\n0.675545 0.233049 0.195535 O\n0.175545 0.766951 0.304465 O\n0.675545 0.733049 0.304465 O\n0.949363 0.493063 0.308704 O\n0.449363 0.006937 0.308704 O\n0.442958 0.332160 0.316317 O\n0.942958 0.167840 0.316317 O\n0.785491 0.997959 0.437022 O\n0.285491 0.502041 0.437022 O\n0.788437 0.333436 0.434134 O\n0.288437 0.166564 0.434134 O\n0.434472 0.783691 0.447895 O\n0.934472 0.716309 0.447895 O\n0.065528 0.283691 0.552105 O\n0.565528 0.216309 0.552105 O\n0.711563 0.833436 0.565866 O\n0.211563 0.666564 0.565866 O\n0.714509 0.497959 0.562978 O\n0.214509 0.002041 0.562978 O\n0.057042 0.832160 0.683683 O\n0.557042 0.667840 0.683683 O\n0.550637 0.993063 0.691296 O\n0.050637 0.506937 0.691296 O\n0.324455 0.266951 0.695535 O\n0.824455 0.233049 0.695535 O\n0.324455 0.766951 0.804465 O\n0.824455 0.733049 0.804465 O\n0.550637 0.493063 0.808704 O\n0.050637 0.006937 0.808704 O\n0.057042 0.332160 0.816317 O\n0.557042 0.167840 0.816317 O\n0.714509 0.997959 0.937022 O\n0.214509 0.502041 0.937022 O\n0.711563 0.333436 0.934134 O\n0.211563 0.166564 0.934134 O\n0.065528 0.783691 0.947895 O\n0.565528 0.716309 0.947895 O\n",
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"formula_full": "Li8 Fe8 Si16 O48",
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{
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"structure_string": "Co11 Cu1 O16\n1.0\n5.915385 0.000000 0.000000\n0.000000 5.880453 0.000000\n0.000000 0.028780 8.321920\nCo Cu O\n11 1 16\ndirect\n0.000000 0.252137 0.626499 Co\n0.249749 0.747568 0.751081 Co\n0.750251 0.747568 0.751081 Co\n0.500000 0.250228 0.879326 Co\n0.000000 0.500000 0.000000 Co\n0.500000 0.749772 0.120674 Co\n0.249749 0.252432 0.248919 Co\n0.750251 0.252432 0.248919 Co\n0.000000 0.747863 0.373501 Co\n0.500000 0.500000 0.500000 Co\n0.500000 0.000000 0.500000 Co\n0.000000 0.000000 0.000000 Cu\n0.500000 0.976713 0.744263 O\n0.500000 0.516467 0.744926 O\n0.000000 0.520481 0.768418 O\n0.000000 0.981330 0.757965 O\n0.224211 0.739846 0.989265 O\n0.775789 0.739846 0.989265 O\n0.224211 0.260154 0.010735 O\n0.775789 0.260154 0.010735 O\n0.000000 0.479519 0.231582 O\n0.000000 0.018670 0.242035 O\n0.500000 0.483533 0.255074 O\n0.500000 0.023287 0.255737 O\n0.267820 0.250593 0.489029 O\n0.732180 0.250593 0.489029 O\n0.732180 0.749407 0.510971 O\n0.267820 0.749407 0.510971 O\n",
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{
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