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{
"id": "mp-1093580",
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{
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},
{
"id": "mp-1101632",
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"structure_string": "Tc12 Bi2 O36\n1.0\n5.116544 5.121510 0.000000\n-5.116544 5.121510 0.000000\n0.000000 5.091700 15.357558\nTc Bi O\n12 2 36\ndirect\n0.000000 0.500000 0.000000 Tc\n0.500000 0.500000 0.000000 Tc\n0.163569 0.165447 0.667807 Tc\n0.834991 0.334531 0.833652 Tc\n0.836431 0.834553 0.332193 Tc\n0.665470 0.165009 0.666348 Tc\n0.500000 0.500000 0.500000 Tc\n0.500000 0.000000 0.500000 Tc\n0.334531 0.834991 0.333652 Tc\n0.165447 0.163569 0.167807 Tc\n0.165009 0.665470 0.166348 Tc\n0.834553 0.836431 0.832193 Tc\n0.000000 0.500000 0.500000 Bi\n0.500000 0.000000 0.000000 Bi\n0.701078 0.298922 0.750000 O\n0.249681 0.411623 0.578999 O\n0.352711 0.974309 0.418295 O\n0.052905 0.302878 0.749009 O\n0.154342 0.400500 0.198662 O\n0.947603 0.201225 0.606671 O\n0.945999 0.054001 0.250000 O\n0.026558 0.278349 0.080770 O\n0.025691 0.647289 0.081705 O\n0.721651 0.973442 0.419230 O\n0.671703 0.412265 0.580690 O\n0.520496 0.276215 0.462505 O\n0.599500 0.845658 0.301338 O\n0.723785 0.479504 0.037495 O\n0.798775 0.052397 0.893329 O\n0.587735 0.328297 0.919310 O\n0.588377 0.750319 0.921001 O\n0.697122 0.947095 0.750991 O\n0.412265 0.671703 0.080690 O\n0.302878 0.052905 0.249009 O\n0.411623 0.249681 0.078999 O\n0.201225 0.947603 0.106671 O\n0.400500 0.154342 0.698662 O\n0.479504 0.723785 0.537495 O\n0.276215 0.520496 0.962505 O\n0.278349 0.026558 0.580770 O\n0.328297 0.587735 0.419310 O\n0.054001 0.945999 0.750000 O\n0.974309 0.352711 0.918295 O\n0.973442 0.721651 0.919230 O\n0.845658 0.599500 0.801338 O\n0.052397 0.798775 0.393329 O\n0.947095 0.697122 0.250991 O\n0.750319 0.588377 0.421001 O\n0.647289 0.025691 0.581705 O\n0.298922 0.701078 0.250000 O\n",
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"volume": 804.8721459091558,
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"formula_full": "Tc12 Bi2 O36",
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"spacegroup": 15
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{
"id": "mp-781053",
"created_at": "2022-09-04T14:42:27.130424Z",
"structure_string": "Li4 Fe4 P12 H8 O40\n1.0\n11.432603 0.000000 0.000000\n0.000000 8.596676 0.000000\n0.000000 4.144701 8.567997\nLi Fe P H O\n4 4 12 8 40\ndirect\n0.848604 0.912483 0.582252 Li\n0.651396 0.912483 0.082252 Li\n0.348604 0.087517 0.917748 Li\n0.151396 0.087517 0.417748 Li\n0.106057 0.594403 0.713180 Fe\n0.606057 0.405597 0.786820 Fe\n0.393943 0.594403 0.213180 Fe\n0.893943 0.405597 0.286820 Fe\n0.026197 0.896337 0.819998 P\n0.529531 0.736644 0.859159 P\n0.473803 0.896337 0.319998 P\n0.386563 0.673548 0.634557 P\n0.970469 0.736644 0.359159 P\n0.886563 0.326452 0.865443 P\n0.113437 0.673548 0.134557 P\n0.029531 0.263356 0.640841 P\n0.613437 0.326452 0.365443 P\n0.526197 0.103663 0.680002 P\n0.470469 0.263356 0.140841 P\n0.973803 0.103663 0.180002 P\n0.848061 0.653065 0.983277 H\n0.269232 0.444610 0.971753 H\n0.651939 0.653065 0.483277 H\n0.769232 0.555390 0.528247 H\n0.230768 0.444610 0.471753 H\n0.348061 0.346935 0.516723 H\n0.730768 0.555390 0.028247 H\n0.151939 0.346935 0.016723 H\n0.899737 0.907863 0.773094 O\n0.584240 0.913627 0.727442 O\n0.509337 0.764397 0.003082 O\n0.110730 0.804258 0.762887 O\n0.407120 0.718451 0.783535 O\n0.468962 0.822299 0.506507 O\n0.600263 0.907863 0.273094 O\n0.610860 0.592415 0.872893 O\n0.915760 0.913627 0.227442 O\n0.990663 0.764397 0.503082 O\n0.261919 0.711880 0.586050 O\n0.389270 0.804258 0.262887 O\n0.203434 0.407021 0.926853 O\n0.938905 0.499851 0.829608 O\n0.438905 0.500149 0.670392 O\n0.092880 0.718451 0.283535 O\n0.703434 0.592979 0.573147 O\n0.031038 0.822299 0.006507 O\n0.889140 0.592415 0.372893 O\n0.761919 0.288120 0.913950 O\n0.238081 0.711880 0.086050 O\n0.110860 0.407585 0.627107 O\n0.968962 0.177701 0.993493 O\n0.296566 0.407021 0.426853 O\n0.907120 0.281549 0.716465 O\n0.561095 0.499851 0.329608 O\n0.061095 0.500149 0.170392 O\n0.796566 0.592979 0.073147 O\n0.610730 0.195742 0.737113 O\n0.738081 0.288120 0.413950 O\n0.009337 0.235603 0.496918 O\n0.084240 0.086373 0.772558 O\n0.389140 0.407585 0.127107 O\n0.399737 0.092137 0.726906 O\n0.531038 0.177701 0.493493 O\n0.592880 0.281549 0.216465 O\n0.889270 0.195742 0.237113 O\n0.490663 0.235603 0.996918 O\n0.415760 0.086373 0.272558 O\n0.100263 0.092137 0.226906 O\n",
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{
"id": "mp-1227451",
"created_at": "2022-09-04T14:42:27.141195Z",
"structure_string": "Ca2 Co1 Si4 Ni1 O12\n1.0\n-0.027639 0.000005 5.311676\n-4.768741 4.510681 1.365066\n-4.768733 -4.510669 1.365057\nCa Co Si Ni O\n2 1 4 1 12\ndirect\n0.749999 0.703348 0.296653 Ca\n0.249996 0.297234 0.702764 Ca\n0.749998 0.092447 0.907552 Co\n0.729273 0.620633 0.805726 Si\n0.770723 0.194276 0.379370 Si\n0.269740 0.380299 0.194564 Si\n0.230258 0.805435 0.619703 Si\n0.250024 0.907714 0.092278 Ni\n0.822623 0.389975 0.888137 O\n0.677377 0.111863 0.610026 O\n0.178181 0.611563 0.112792 O\n0.321816 0.887209 0.388436 O\n0.640799 0.794996 0.972193 O\n0.859198 0.027808 0.205004 O\n0.354928 0.204207 0.029261 O\n0.145070 0.970740 0.795792 O\n0.496380 0.631131 0.666898 O\n0.003619 0.333101 0.368871 O\n0.504201 0.367983 0.331963 O\n0.995796 0.668039 0.632017 O\n",
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{
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{
"id": "mp-715275",
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"structure_string": "Fe12 O16\n1.0\n2.955816 0.000000 0.000000\n0.000000 9.795416 -0.025040\n0.000000 -0.024577 10.005453\nFe O\n12 16\ndirect\n0.674891 0.137933 0.751994 Fe\n0.720962 0.365578 0.248200 Fe\n0.279038 0.865578 0.248200 Fe\n0.325109 0.637933 0.751994 Fe\n0.771185 0.881463 0.573554 Fe\n0.228815 0.381463 0.573554 Fe\n0.210171 0.382189 0.924967 Fe\n0.244744 0.116603 0.425033 Fe\n0.254785 0.117595 0.076498 Fe\n0.755256 0.616603 0.425033 Fe\n0.789829 0.882189 0.924967 Fe\n0.745215 0.617595 0.076498 Fe\n0.247096 0.477882 0.385892 O\n0.287483 0.020994 0.887659 O\n0.233839 0.478839 0.113222 O\n0.752903 0.977882 0.385892 O\n0.712517 0.520994 0.887659 O\n0.766161 0.978839 0.113222 O\n0.733079 0.518922 0.609059 O\n0.266921 0.018922 0.609059 O\n0.225163 0.210810 0.250868 O\n0.820235 0.791226 0.750287 O\n0.179765 0.291226 0.750287 O\n0.774837 0.710810 0.250868 O\n0.271631 0.751294 0.002001 O\n0.730595 0.248671 0.500765 O\n0.269405 0.748671 0.500765 O\n0.728369 0.251294 0.002001 O\n",
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{
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"structure_string": "Li2 Fe2 P6 O18\n1.0\n3.239060 5.635002 0.000000\n-3.239060 5.635002 0.000000\n0.000000 0.038453 9.763667\nLi Fe P O\n2 2 6 18\ndirect\n0.327157 0.342004 0.500031 Li\n0.342004 0.327157 0.000031 Li\n0.664106 0.669365 0.999988 Fe\n0.669365 0.664106 0.499988 Fe\n0.278459 0.750516 0.249764 P\n0.278436 0.969705 0.750513 P\n0.750516 0.278459 0.749764 P\n0.969705 0.278436 0.250513 P\n0.750664 0.971448 0.249626 P\n0.971448 0.750664 0.749626 P\n0.403117 0.637703 0.117647 O\n0.395376 0.635611 0.383213 O\n0.399342 0.965017 0.882580 O\n0.398634 0.959701 0.617064 O\n0.635611 0.395376 0.883213 O\n0.637703 0.403117 0.617647 O\n0.959701 0.398634 0.117064 O\n0.965017 0.399342 0.382580 O\n0.641167 0.957312 0.382619 O\n0.633185 0.972500 0.116900 O\n0.024430 0.209724 0.750568 O\n0.209724 0.024430 0.250568 O\n0.972500 0.633185 0.616900 O\n0.957312 0.641167 0.882619 O\n0.025085 0.765005 0.245002 O\n0.210394 0.764507 0.754454 O\n0.765005 0.025085 0.745002 O\n0.764507 0.210394 0.254454 O\n",
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{
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