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{
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"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-spacegroup&page=10141",
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"results": [
{
"id": "mp-29895",
"created_at": "2022-09-04T14:40:22.728343Z",
"structure_string": "Rb12 Bi8 I36\n1.0\n8.454126 0.000000 0.000000\n0.000000 15.091377 0.000000\n0.000000 14.487129 21.526599\nRb Bi I\n12 8 36\ndirect\n0.222191 0.652174 0.547538 Rb\n0.777809 0.652174 0.047538 Rb\n0.733890 0.060082 0.594567 Rb\n0.266110 0.060082 0.094567 Rb\n0.772928 0.997447 0.376078 Rb\n0.227072 0.997447 0.876078 Rb\n0.767804 0.321713 0.711240 Rb\n0.232196 0.321713 0.211240 Rb\n0.273737 0.379340 0.431561 Rb\n0.726263 0.379340 0.931561 Rb\n0.282085 0.726249 0.760027 Rb\n0.717915 0.726249 0.260027 Rb\n0.758665 0.862477 0.812190 Bi\n0.241335 0.862477 0.312190 Bi\n0.240870 0.012060 0.494353 Bi\n0.759130 0.012060 0.994353 Bi\n0.258159 0.362599 0.813090 Bi\n0.741841 0.362599 0.313090 Bi\n0.743898 0.518696 0.492289 Bi\n0.256102 0.518696 0.992289 Bi\n0.668536 0.598274 0.572062 I\n0.559540 0.165533 0.436727 I\n0.657382 0.924800 0.909301 I\n0.342618 0.924800 0.409301 I\n0.822343 0.103742 0.069028 I\n0.177657 0.103742 0.569028 I\n0.559479 0.836765 0.094872 I\n0.440521 0.836765 0.594872 I\n0.451738 0.497938 0.269339 I\n0.548262 0.497938 0.769339 I\n0.960353 0.409786 0.063480 I\n0.440460 0.165533 0.936727 I\n0.050594 0.878312 0.036910 I\n0.949406 0.878312 0.536910 I\n0.048859 0.061961 0.236718 I\n0.951141 0.061961 0.736718 I\n0.157224 0.452504 0.896844 I\n0.842776 0.452504 0.396844 I\n0.569018 0.635549 0.905031 I\n0.430982 0.635549 0.405031 I\n0.945462 0.534824 0.212829 I\n0.054538 0.534824 0.712829 I\n0.071244 0.745399 0.898359 I\n0.928756 0.745399 0.398359 I\n0.534327 0.973152 0.239448 I\n0.465673 0.973152 0.739448 I\n0.060935 0.210666 0.371098 I\n0.939065 0.210666 0.871098 I\n0.447028 0.318910 0.070382 I\n0.552972 0.318910 0.570382 I\n0.675937 0.270590 0.238839 I\n0.324063 0.270590 0.738839 I\n0.838243 0.784760 0.731801 I\n0.161757 0.784760 0.231801 I\n0.039647 0.409786 0.563480 I\n0.331464 0.598274 0.072062 I\n",
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"elements": [
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],
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"density": 4.393114722569822,
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"volume": 2746.4582749639526,
"volume_molar": 29.5349255773209,
"formula_full": "Rb12 Bi8 I36",
"formula_reduced": "Rb3Bi2I9",
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"updated_at": "2021-11-28T01:34:55.648000Z",
"spacegroup": 7
},
{
"id": "mp-1181570",
"created_at": "2022-09-04T14:40:22.819340Z",
"structure_string": "Fe12 O16\n1.0\n2.933176 0.000000 0.000000\n0.000000 9.868186 0.000000\n0.000000 0.005874 9.993334\nFe O\n12 16\ndirect\n0.271928 0.867634 0.737177 Fe\n0.260184 0.630144 0.260877 Fe\n0.739816 0.130144 0.260877 Fe\n0.728072 0.367634 0.737177 Fe\n0.239360 0.123041 0.574633 Fe\n0.760640 0.623041 0.574633 Fe\n0.760903 0.616446 0.923771 Fe\n0.751636 0.882700 0.424883 Fe\n0.750549 0.878517 0.071162 Fe\n0.248364 0.382700 0.424883 Fe\n0.239097 0.116446 0.923771 Fe\n0.249451 0.378517 0.071162 Fe\n0.757236 0.539152 0.377397 O\n0.739503 0.978865 0.890566 O\n0.753540 0.519463 0.118655 O\n0.242764 0.039152 0.377397 O\n0.260497 0.478865 0.890566 O\n0.246460 0.019463 0.118655 O\n0.256941 0.482303 0.612607 O\n0.743059 0.982303 0.612607 O\n0.758831 0.774594 0.245802 O\n0.224753 0.213000 0.753742 O\n0.775247 0.713000 0.753742 O\n0.241169 0.274594 0.245802 O\n0.743815 0.248371 0.003824 O\n0.259009 0.745772 0.504903 O\n0.740991 0.245772 0.504903 O\n0.256185 0.748371 0.003824 O\n",
"nsites": 28,
"nelements": 2,
"elements": [
"Fe",
"O"
],
"chemical_system": "Fe-O",
"density": 5.316617117936567,
"density_atomic": 0.09679929160564363,
"volume": 289.258315175186,
"volume_molar": 6.221265321376479,
"formula_full": "Fe12 O16",
"formula_reduced": "Fe3O4",
"formula_anonymous": "A3B4",
"energy": -223.16201874,
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"updated_at": "2021-11-28T01:34:52.586000Z",
"spacegroup": 7
},
{
"id": "mp-706627",
"created_at": "2022-09-04T14:40:23.094905Z",
"structure_string": "Zn2 H12 C4 N8 O8\n1.0\n5.203652 0.000000 0.000000\n0.000000 6.950751 0.000000\n0.000000 3.558917 8.646348\nZn H C N O\n2 12 4 8 8\ndirect\n0.204109 0.003736 0.749636 Zn\n0.795891 0.003736 0.249636 Zn\n0.058443 0.500857 0.093925 H\n0.941557 0.500857 0.593925 H\n0.964782 0.648480 0.804568 H\n0.035218 0.648480 0.304568 H\n0.822397 0.767238 0.909036 H\n0.177603 0.767238 0.409036 H\n0.417528 0.371352 0.343633 H\n0.582472 0.371352 0.843633 H\n0.607202 0.077013 0.556260 H\n0.392798 0.077013 0.056260 H\n0.566430 0.280999 0.606413 H\n0.433570 0.280999 0.106413 H\n0.379898 0.688944 0.028809 C\n0.620102 0.688944 0.528809 C\n0.106094 0.172229 0.425589 C\n0.893906 0.172229 0.925589 C\n0.148622 0.610110 0.001273 N\n0.851378 0.610110 0.501273 N\n0.997753 0.730479 0.873446 N\n0.002247 0.730479 0.373446 N\n0.325505 0.272155 0.441805 N\n0.674495 0.272155 0.941805 N\n0.471205 0.171032 0.577927 N\n0.528795 0.171032 0.077927 N\n0.468148 0.856564 0.921302 O\n0.531852 0.856564 0.421302 O\n0.495844 0.587974 0.153104 O\n0.504156 0.587974 0.653104 O\n0.008844 0.031000 0.544451 O\n0.991156 0.031000 0.044451 O\n0.007216 0.231236 0.288822 O\n0.992784 0.231236 0.788822 O\n",
"nsites": 34,
"nelements": 5,
"elements": [
"Zn",
"H",
"C",
"N",
"O"
],
"chemical_system": "C-H-N-O-Zn",
"density": 2.2885404763019603,
"density_atomic": 0.10871919552102516,
"volume": 312.7322625692604,
"volume_molar": 5.539169721721663,
"formula_full": "Zn2 H12 C4 N8 O8",
"formula_reduced": "ZnH6C2(NO)4",
"formula_anonymous": "AB2C4D4E6",
"energy": -215.68357781,
"energy_per_atom": -6.343634641470588,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:34:55.784000Z",
"spacegroup": 7
},
{
"id": "mp-759639",
"created_at": "2022-09-04T14:40:23.176708Z",
"structure_string": "Li12 Fe4 P8 O32\n1.0\n10.493451 0.000000 0.000000\n0.000000 8.223754 0.000000\n0.000000 2.008695 8.019614\nLi Fe P O\n12 4 8 32\ndirect\n0.913756 0.602330 0.905244 Li\n0.665091 0.457402 0.781412 Li\n0.103176 0.847621 0.655928 Li\n0.190979 0.535626 0.723251 Li\n0.908188 0.351917 0.662232 Li\n0.424160 0.396901 0.597444 Li\n0.086244 0.602330 0.405244 Li\n0.334909 0.457402 0.281412 Li\n0.896824 0.847621 0.155928 Li\n0.809021 0.535626 0.223251 Li\n0.091812 0.351917 0.162232 Li\n0.575840 0.396901 0.097444 Li\n0.093036 0.094332 0.912950 Fe\n0.906964 0.094332 0.412950 Fe\n0.583415 0.901223 0.594640 Fe\n0.416585 0.901223 0.094640 Fe\n0.661289 0.759393 0.959170 P\n0.336967 0.287236 0.969389 P\n0.840989 0.714140 0.529079 P\n0.338711 0.759393 0.459170 P\n0.155324 0.237104 0.539831 P\n0.663033 0.287236 0.469389 P\n0.159011 0.714140 0.029079 P\n0.844676 0.237104 0.039831 P\n0.298650 0.771942 0.998097 O\n0.607624 0.601936 0.918431 O\n0.709294 0.272361 0.984513 O\n0.102505 0.665052 0.874548 O\n0.656646 0.909561 0.800357 O\n0.399677 0.119335 0.954746 O\n0.925499 0.190024 0.894528 O\n0.340642 0.411305 0.799570 O\n0.853661 0.571300 0.688370 O\n0.418088 0.814104 0.597623 O\n0.922628 0.871264 0.554010 O\n0.138428 0.076182 0.692873 O\n0.198691 0.733555 0.521869 O\n0.608294 0.352602 0.611033 O\n0.701350 0.771942 0.498097 O\n0.087568 0.384600 0.591116 O\n0.392376 0.601936 0.418431 O\n0.811971 0.240126 0.511314 O\n0.290706 0.272361 0.484513 O\n0.897495 0.665052 0.374548 O\n0.343354 0.909561 0.300357 O\n0.600323 0.119335 0.454746 O\n0.074501 0.190024 0.394528 O\n0.659358 0.411305 0.299570 O\n0.581912 0.814104 0.097623 O\n0.146339 0.571300 0.188370 O\n0.077372 0.871264 0.054010 O\n0.861572 0.076182 0.192873 O\n0.801309 0.733555 0.021869 O\n0.391706 0.352602 0.111033 O\n0.912432 0.384600 0.091116 O\n0.188029 0.240126 0.011314 O\n",
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"P",
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],
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"density": 2.5588497638734418,
"density_atomic": 0.08091818112271236,
"volume": 692.057078187114,
"volume_molar": 7.4422591764234385,
"formula_full": "Li12 Fe4 P8 O32",
"formula_reduced": "Li3Fe(PO4)2",
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"energy": -400.80080307,
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"spacegroup": 7
},
{
"id": "mp-1180492",
"created_at": "2022-09-04T14:40:23.454778Z",
"structure_string": "Na8 B20 O44\n1.0\n6.461626 0.000000 0.000000\n0.000000 11.381856 0.000000\n0.000000 0.022929 11.856298\nNa B O\n8 20 44\ndirect\n0.242538 0.042494 0.233504 Na\n0.757462 0.042494 0.733504 Na\n0.094619 0.868000 0.538835 Na\n0.905381 0.868000 0.038835 Na\n0.405912 0.367565 0.453055 Na\n0.594088 0.367565 0.953055 Na\n0.258249 0.542188 0.757987 Na\n0.741751 0.542188 0.257987 Na\n0.893026 0.299161 0.148690 B\n0.106974 0.299161 0.648690 B\n0.232421 0.387324 0.215881 B\n0.767579 0.387324 0.715881 B\n0.133400 0.385115 0.007509 B\n0.866600 0.385115 0.507509 B\n0.535440 0.250904 0.216184 B\n0.464560 0.250904 0.716184 B\n0.788691 0.095507 0.204706 B\n0.211309 0.095507 0.704706 B\n0.393065 0.798767 0.343053 B\n0.606935 0.798767 0.843053 B\n0.288375 0.595316 0.286621 B\n0.711625 0.595316 0.786621 B\n0.035528 0.750865 0.275187 B\n0.964472 0.750865 0.775187 B\n0.732989 0.887185 0.276320 B\n0.267011 0.887185 0.776320 B\n0.632236 0.884858 0.484031 B\n0.367764 0.884858 0.984031 B\n0.007745 0.377421 0.225607 O\n0.992255 0.377421 0.725607 O\n0.271988 0.413738 0.093565 O\n0.728012 0.413738 0.593565 O\n0.947194 0.332264 0.030719 O\n0.052806 0.332264 0.530719 O\n0.668992 0.325379 0.162342 O\n0.331008 0.325379 0.662342 O\n0.594068 0.135289 0.239931 O\n0.405932 0.135289 0.739931 O\n0.934272 0.172654 0.166605 O\n0.065728 0.172654 0.666605 O\n0.434265 0.672324 0.324974 O\n0.565735 0.672324 0.824974 O\n0.094419 0.635515 0.250713 O\n0.905581 0.635515 0.750713 O\n0.169153 0.825065 0.329190 O\n0.830847 0.825065 0.829190 O\n0.508266 0.877231 0.266184 O\n0.491734 0.877231 0.766184 O\n0.771687 0.913662 0.398528 O\n0.228313 0.913662 0.898528 O\n0.446805 0.831047 0.461105 O\n0.553195 0.831047 0.961105 O\n0.328045 0.477828 0.286432 O\n0.671955 0.477828 0.786432 O\n0.829255 0.977978 0.205728 O\n0.170745 0.977978 0.705728 O\n0.336932 0.276010 0.246099 O\n0.663068 0.276010 0.746099 O\n0.207216 0.409653 0.902144 O\n0.792784 0.409653 0.402144 O\n0.836768 0.775999 0.245940 O\n0.163232 0.775999 0.745940 O\n0.704495 0.910983 0.589455 O\n0.295505 0.910983 0.089455 O\n0.080532 0.030378 0.417958 O\n0.919468 0.030378 0.917958 O\n0.001147 0.652117 0.540911 O\n0.998853 0.652117 0.040911 O\n0.480101 0.148206 0.448547 O\n0.519899 0.148206 0.948547 O\n0.430125 0.528512 0.574657 O\n0.569875 0.528512 0.074657 O\n",
"nsites": 72,
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"formula_full": "Na8 B20 O44",
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"spacegroup": 7
},
{
"id": "mp-1049240",
"created_at": "2022-09-04T14:40:23.605705Z",
"structure_string": "La2 Zn2 Cr2 Mo2 O12\n1.0\n5.572803 0.000000 0.000000\n0.000000 5.428625 0.000000\n0.000000 5.400413 7.987263\nLa Zn Cr Mo O\n2 2 2 2 12\ndirect\n0.289879 0.756111 0.250284 La\n0.710121 0.756111 0.750284 La\n0.750159 0.249202 0.247288 Zn\n0.249841 0.249202 0.747288 Zn\n0.245303 0.000177 0.499027 Cr\n0.754697 0.000177 0.999027 Cr\n0.237043 0.496778 0.000965 Mo\n0.762957 0.496778 0.500965 Mo\n0.801815 0.334182 0.756291 O\n0.032832 0.148305 0.060618 O\n0.046173 0.759901 0.447111 O\n0.555605 0.256083 0.057482 O\n0.557984 0.876714 0.435550 O\n0.281595 0.622545 0.745385 O\n0.198185 0.334182 0.256291 O\n0.967168 0.148305 0.560618 O\n0.953827 0.759901 0.947111 O\n0.444395 0.256083 0.557482 O\n0.442016 0.876714 0.935550 O\n0.718405 0.622545 0.245385 O\n",
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},
{
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