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{
"id": "mp-1216853",
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"structure_string": "Tm2 Si9 B36 C1\n1.0\n5.053881 6.239567 0.000000\n-5.053881 6.239567 0.000000\n0.000000 2.131891 7.705354\nTm Si B C\n2 9 36 1\ndirect\n0.499748 0.999829 0.499669 Tm\n0.999829 0.499748 0.499669 Tm\n0.344301 0.733798 0.745317 Si\n0.737416 0.737416 0.338564 Si\n0.733798 0.344301 0.745317 Si\n0.654425 0.266144 0.254857 Si\n0.262865 0.262865 0.659744 Si\n0.266144 0.654425 0.254857 Si\n0.571684 0.571684 0.573000 Si\n0.429737 0.429737 0.428070 Si\n0.955363 0.955363 0.957255 Si\n0.798643 0.625913 0.980870 B\n0.625365 0.981223 0.802857 B\n0.982202 0.801950 0.625920 B\n0.801950 0.982202 0.625920 B\n0.981223 0.625365 0.802857 B\n0.625913 0.798643 0.980870 B\n0.204196 0.371815 0.022325 B\n0.372011 0.021767 0.200551 B\n0.020801 0.201321 0.371717 B\n0.201321 0.020801 0.371717 B\n0.021767 0.372011 0.200551 B\n0.371815 0.204196 0.022325 B\n0.993974 0.703473 0.994168 B\n0.703473 0.993974 0.994168 B\n0.994389 0.994389 0.704919 B\n0.017990 0.276851 0.017662 B\n0.276851 0.017990 0.017662 B\n0.017736 0.017736 0.274910 B\n0.892818 0.579079 0.176538 B\n0.580111 0.179888 0.893427 B\n0.180705 0.890977 0.581178 B\n0.890977 0.180705 0.581178 B\n0.179888 0.580111 0.893427 B\n0.579079 0.892818 0.176538 B\n0.108237 0.412519 0.827996 B\n0.411579 0.824705 0.107577 B\n0.823531 0.110102 0.410688 B\n0.110102 0.823531 0.410688 B\n0.824705 0.411579 0.107577 B\n0.412519 0.108237 0.827996 B\n0.126003 0.554305 0.125831 B\n0.554305 0.126003 0.125831 B\n0.125698 0.125698 0.555175 B\n0.877721 0.437335 0.877804 B\n0.437335 0.877721 0.877804 B\n0.878140 0.878140 0.436258 B\n0.067780 0.067780 0.066463 C\n",
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"formula_full": "Tm2 Si9 B36 C1",
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},
{
"id": "mp-1044617",
"created_at": "2022-09-04T14:41:21.457461Z",
"structure_string": "Sb8 P8 O32\n1.0\n2.687858 9.271744 0.000000\n-2.687858 9.271744 0.000000\n0.000000 8.859947 15.835069\nSb P O\n8 8 32\ndirect\n0.366261 0.848310 0.997771 Sb\n0.151690 0.633739 0.502229 Sb\n0.633739 0.151690 0.002229 Sb\n0.000000 0.500000 0.000000 Sb\n0.848310 0.366261 0.497771 Sb\n0.724858 0.275142 0.750000 Sb\n0.275142 0.724858 0.250000 Sb\n0.500000 0.000000 0.500000 Sb\n0.475141 0.931127 0.138748 P\n0.718618 0.292528 0.386176 P\n0.524859 0.068873 0.861252 P\n0.292528 0.718618 0.886176 P\n0.931127 0.475141 0.638748 P\n0.068873 0.524859 0.361252 P\n0.281382 0.707472 0.613824 P\n0.707472 0.281382 0.113824 P\n0.225059 0.276047 0.899870 O\n0.548034 0.323367 0.082053 O\n0.276047 0.225059 0.399870 O\n0.539868 0.288091 0.456453 O\n0.650957 0.806731 0.930762 O\n0.604005 0.452891 0.302652 O\n0.711909 0.460132 0.043547 O\n0.011270 0.998414 0.878766 O\n0.460132 0.711909 0.543547 O\n0.676633 0.451966 0.417947 O\n0.619645 0.125963 0.877600 O\n0.962051 0.397909 0.727485 O\n0.451966 0.676633 0.917947 O\n0.998414 0.011270 0.378766 O\n0.774941 0.723953 0.100130 O\n0.380355 0.874037 0.122400 O\n0.397909 0.962051 0.227485 O\n0.288091 0.539868 0.956453 O\n0.125963 0.619645 0.377600 O\n0.037949 0.602091 0.272515 O\n0.001586 0.988730 0.621234 O\n0.806731 0.650957 0.430762 O\n0.988730 0.001586 0.121234 O\n0.452891 0.604005 0.802652 O\n0.323367 0.548034 0.582053 O\n0.723953 0.774941 0.600130 O\n0.602091 0.037949 0.772515 O\n0.193269 0.349043 0.569238 O\n0.349043 0.193269 0.069238 O\n0.547109 0.395995 0.197348 O\n0.395995 0.547109 0.697348 O\n0.874037 0.380355 0.622400 O\n",
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],
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"volume": 789.255666891545,
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"formula_full": "Sb8 P8 O32",
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"spacegroup": 15
},
{
"id": "mp-1044800",
"created_at": "2022-09-04T14:41:19.816967Z",
"structure_string": "Ba6 Al3 V6 F33\n1.0\n3.740478 -6.478698 0.000000\n3.740478 6.478698 0.000000\n0.000000 0.000000 14.569966\nBa Al V F\n6 3 6 33\ndirect\n0.870693 0.859390 0.665551 Ba\n0.518787 0.164328 0.797940 Ba\n0.988696 0.129307 0.998884 Ba\n0.835672 0.354459 0.464607 Ba\n0.645541 0.481213 0.131273 Ba\n0.140610 0.011304 0.332217 Ba\n0.499622 0.677825 0.874133 Al\n0.178203 0.500378 0.207466 Al\n0.322175 0.821797 0.540799 Al\n0.978546 0.664988 0.883795 V\n0.143343 0.437439 0.724755 V\n0.562561 0.705904 0.391421 V\n0.686442 0.021454 0.217128 V\n0.294096 0.856657 0.058088 V\n0.335012 0.313558 0.550461 V\n0.984882 0.740798 0.022710 F\n0.838292 0.357621 0.923432 F\n0.755916 0.015118 0.356043 F\n0.420385 0.090114 0.499790 F\n0.870699 0.900930 0.177726 F\n0.242194 0.299173 0.194102 F\n0.909886 0.330270 0.166456 F\n0.700827 0.943020 0.860768 F\n0.030231 0.129301 0.511060 F\n0.607858 0.007209 0.080595 F\n0.669730 0.579615 0.833123 F\n0.259202 0.244084 0.689377 F\n0.582790 0.667110 0.986323 F\n0.356328 0.154857 0.023541 F\n0.084319 0.417210 0.319656 F\n0.642379 0.480671 0.590099 F\n0.322204 0.783684 0.912628 F\n0.399351 0.392142 0.413929 F\n0.309631 0.751028 0.420194 F\n0.332890 0.915681 0.652990 F\n0.441396 0.690369 0.753528 F\n0.845143 0.201471 0.690207 F\n0.798529 0.643672 0.356874 F\n0.461480 0.677796 0.245961 F\n0.992791 0.600649 0.747262 F\n0.099070 0.969769 0.844393 F\n0.519329 0.161708 0.256765 F\n0.265206 0.424980 0.870756 F\n0.159774 0.734794 0.204089 F\n0.248972 0.558604 0.086861 F\n0.056980 0.757806 0.527435 F\n0.216316 0.538520 0.579294 F\n0.575020 0.840226 0.537423 F\n",
"nsites": 48,
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"elements": [
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],
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"density": 4.320895477928155,
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"volume": 706.1604247458872,
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"formula_full": "Ba6 Al3 V6 F33",
"formula_reduced": "Ba2AlV2F11",
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"energy": -314.85164595000003,
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"spacegroup": 145
},
{
"id": "mp-1175326",
"created_at": "2022-09-04T14:41:15.181775Z",
"structure_string": "Li14 Mn10 O24\n1.0\n-5.947035 -0.121981 0.323346\n0.121156 -0.135858 10.219080\n-2.156707 7.190742 3.016721\nLi Mn O\n14 10 24\ndirect\n0.166637 0.833365 0.333328 Li\n0.666677 0.833366 0.333332 Li\n0.918268 0.067766 0.346771 Li\n0.418312 0.067712 0.346785 Li\n0.915069 0.598933 0.319916 Li\n0.415018 0.598934 0.319923 Li\n0.087362 0.419247 0.666280 Li\n0.587446 0.419263 0.666269 Li\n0.745871 0.247303 0.000486 Li\n0.245907 0.247310 0.000474 Li\n0.271667 0.756038 0.020492 Li\n0.771709 0.756060 0.020496 Li\n0.061584 0.910558 0.646252 Li\n0.561548 0.910539 0.646235 Li\n0.666754 0.333483 0.333403 Mn\n0.008878 0.993739 0.012732 Mn\n0.324522 0.672953 0.653867 Mn\n0.843546 0.166501 0.670912 Mn\n0.489649 0.500152 0.995603 Mn\n0.166751 0.333281 0.333337 Mn\n0.508757 0.993673 0.012638 Mn\n0.824585 0.672978 0.654050 Mn\n0.343612 0.166487 0.671018 Mn\n0.989797 0.500186 0.995711 Mn\n0.207640 0.035462 0.147415 O\n0.707581 0.035454 0.147407 O\n0.125717 0.631210 0.519253 O\n0.625774 0.631208 0.519244 O\n0.890798 0.364441 0.503339 O\n0.390653 0.364528 0.503388 O\n0.942594 0.302244 0.163311 O\n0.442719 0.302153 0.163238 O\n0.017998 0.696479 0.813123 O\n0.517915 0.696498 0.813117 O\n0.815361 0.970203 0.853497 O\n0.315363 0.970170 0.853531 O\n0.862312 0.861004 0.515674 O\n0.362342 0.860898 0.515637 O\n0.970997 0.805796 0.150987 O\n0.470989 0.805664 0.151009 O\n0.064109 0.195586 0.838329 O\n0.564072 0.195554 0.838294 O\n0.769211 0.471122 0.828354 O\n0.269251 0.471085 0.828296 O\n0.217412 0.534769 0.167007 O\n0.717323 0.534928 0.166914 O\n0.116017 0.131775 0.499723 O\n0.615925 0.131938 0.499605 O\n",
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"formula_full": "Li14 Mn10 O24",
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{
"id": "mp-1209694",
"created_at": "2022-09-04T14:41:13.768813Z",
"structure_string": "Sn4 As8 O36\n1.0\n5.164367 0.000000 0.000000\n0.000000 8.850892 0.000000\n0.000000 5.671207 15.511403\nSn As O\n4 8 36\ndirect\n0.760711 0.759273 0.478108 Sn\n0.239289 0.240727 0.521892 Sn\n0.260711 0.240727 0.021892 Sn\n0.739289 0.759273 0.978108 Sn\n0.734315 0.454116 0.394202 As\n0.265685 0.545884 0.605798 As\n0.234315 0.545884 0.105798 As\n0.765685 0.454116 0.894202 As\n0.765554 0.995608 0.117945 As\n0.234446 0.004392 0.882055 As\n0.265554 0.004392 0.382055 As\n0.734446 0.995608 0.617945 As\n0.416652 0.715461 0.057510 O\n0.583348 0.284539 0.942490 O\n0.916652 0.284539 0.442490 O\n0.083348 0.715461 0.557510 O\n0.795320 0.860236 0.220806 O\n0.204680 0.139764 0.779194 O\n0.295320 0.139764 0.279194 O\n0.704680 0.860236 0.720806 O\n0.921226 0.564910 0.068270 O\n0.078774 0.435090 0.931730 O\n0.421226 0.435090 0.431730 O\n0.578774 0.564910 0.568270 O\n0.879060 0.620300 0.406503 O\n0.120940 0.379700 0.593497 O\n0.379060 0.379700 0.093497 O\n0.620940 0.620300 0.906503 O\n0.712517 0.483060 0.283637 O\n0.287483 0.516940 0.716363 O\n0.212517 0.516940 0.216363 O\n0.787483 0.483060 0.783637 O\n0.649449 0.264341 0.254532 O\n0.350551 0.735659 0.745468 O\n0.149449 0.735659 0.245468 O\n0.850551 0.264341 0.754532 O\n0.434423 0.828295 0.401809 O\n0.565577 0.171705 0.598191 O\n0.934423 0.171705 0.098191 O\n0.065577 0.828295 0.901809 O\n0.897217 0.893798 0.053000 O\n0.102783 0.106202 0.947000 O\n0.397217 0.106202 0.447000 O\n0.602783 0.893798 0.553000 O\n0.939729 0.965344 0.399433 O\n0.060271 0.034656 0.600567 O\n0.439729 0.034656 0.100567 O\n0.560271 0.965344 0.899433 O\n",
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"formula_full": "Sn4 As8 O36",
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{
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"created_at": "2022-09-04T14:41:20.768244Z",
"structure_string": "Co4 Sb4 P8 O32\n1.0\n0.129060 0.001019 4.957824\n20.266892 0.006218 0.533261\n0.001975 6.233476 0.001049\nCo Sb P O\n4 4 8 32\ndirect\n0.441373 0.613575 0.749888 Co\n0.559956 0.386682 0.250062 Co\n0.431637 0.111223 0.750055 Co\n0.570695 0.888634 0.246473 Co\n0.943644 0.140862 0.250086 Sb\n0.952865 0.641526 0.249832 Sb\n0.046758 0.358380 0.749971 Sb\n0.058300 0.858871 0.749330 Sb\n0.398044 0.046724 0.249818 P\n0.406796 0.547783 0.250027 P\n0.593035 0.452149 0.749957 P\n0.605126 0.952950 0.750081 P\n0.878499 0.201905 0.750016 P\n0.884603 0.702917 0.750027 P\n0.114421 0.297266 0.250018 P\n0.118913 0.798069 0.250672 P\n0.645175 0.025992 0.751647 O\n0.633799 0.525164 0.749926 O\n0.365148 0.474798 0.250105 O\n0.353078 0.973648 0.249253 O\n0.704224 0.058452 0.250155 O\n0.712702 0.559804 0.249975 O\n0.287284 0.439880 0.749939 O\n0.299808 0.940339 0.749517 O\n0.182477 0.191793 0.749728 O\n0.188698 0.692767 0.749584 O\n0.810251 0.307289 0.250098 O\n0.813858 0.807414 0.253080 O\n0.203884 0.222831 0.250091 O\n0.208392 0.723480 0.247778 O\n0.791617 0.276875 0.749927 O\n0.796858 0.777594 0.750897 O\n0.246035 0.085240 0.057421 O\n0.253914 0.586190 0.057838 O\n0.245802 0.084946 0.442580 O\n0.253948 0.586193 0.442149 O\n0.746532 0.413793 0.558000 O\n0.759259 0.915321 0.557643 O\n0.746403 0.413758 0.941961 O\n0.757961 0.914584 0.942499 O\n0.738403 0.167339 0.945400 O\n0.746635 0.667527 0.945041 O\n0.738123 0.167299 0.555034 O\n0.746399 0.667744 0.554952 O\n0.251544 0.332968 0.054825 O\n0.255422 0.834070 0.056197 O\n0.251532 0.332981 0.445000 O\n0.260172 0.832412 0.445449 O\n",
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},
{
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