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{
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{
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{
"id": "oqmd-72290",
"created_at": "2022-09-04T15:33:39.961712Z",
"updated_at": "2022-09-04T15:33:39.961734Z",
"structure_string": "Hg32 As16 Br24\n1.0\n12.776239 0.000000 0.000000\n0.000000 12.776239 0.000000\n0.000000 0.000000 12.776239\nAs Br Hg\n16 24 32\ndirect\n0.945442 0.445442 0.054558 As\n0.554558 0.945442 0.054558 As\n0.101754 0.101754 0.101754 As\n0.398246 0.601754 0.101754 As\n0.601754 0.101754 0.398246 As\n0.898246 0.601754 0.398246 As\n0.445442 0.445442 0.445442 As\n0.054558 0.945442 0.445442 As\n0.945442 0.054558 0.554558 As\n0.554558 0.554558 0.554558 As\n0.101754 0.398246 0.601754 As\n0.398246 0.898246 0.601754 As\n0.601754 0.398246 0.898246 As\n0.898246 0.898246 0.898246 As\n0.445442 0.054558 0.945442 As\n0.054558 0.554558 0.945442 As\n0.758562 0.192366 0.065157 Br\n0.741438 0.692366 0.065157 Br\n0.434843 0.258562 0.192366 Br\n0.065157 0.758562 0.192366 Br\n0.692366 0.434843 0.241438 Br\n0.807634 0.934843 0.241438 Br\n0.192366 0.434843 0.258562 Br\n0.307634 0.934843 0.258562 Br\n0.934843 0.258562 0.307634 Br\n0.565157 0.758562 0.307634 Br\n0.258562 0.192366 0.434843 Br\n0.241438 0.692366 0.434843 Br\n0.758562 0.307634 0.565157 Br\n0.741438 0.807634 0.565157 Br\n0.434843 0.241438 0.692366 Br\n0.065157 0.741438 0.692366 Br\n0.692366 0.065157 0.741438 Br\n0.807634 0.565157 0.741438 Br\n0.192366 0.065157 0.758562 Br\n0.307634 0.565157 0.758562 Br\n0.934843 0.241438 0.807634 Br\n0.565157 0.741438 0.807634 Br\n0.258562 0.307634 0.934843 Br\n0.241438 0.807634 0.934843 Br\n0.753517 0.474250 0.002955 Hg\n0.746483 0.974250 0.002955 Hg\n0.997045 0.253517 0.025750 Hg\n0.502955 0.753517 0.025750 Hg\n0.217630 0.217630 0.217630 Hg\n0.282370 0.717630 0.217630 Hg\n0.974250 0.497045 0.246483 Hg\n0.525750 0.997045 0.246483 Hg\n0.474250 0.497045 0.253517 Hg\n0.025750 0.997045 0.253517 Hg\n0.717630 0.217630 0.282370 Hg\n0.782370 0.717630 0.282370 Hg\n0.497045 0.253517 0.474250 Hg\n0.002955 0.753517 0.474250 Hg\n0.253517 0.474250 0.497045 Hg\n0.246483 0.974250 0.497045 Hg\n0.753517 0.025750 0.502955 Hg\n0.746483 0.525750 0.502955 Hg\n0.997045 0.246483 0.525750 Hg\n0.502955 0.746483 0.525750 Hg\n0.217630 0.282370 0.717630 Hg\n0.282370 0.782370 0.717630 Hg\n0.974250 0.002955 0.746483 Hg\n0.525750 0.502955 0.746483 Hg\n0.474250 0.002955 0.753517 Hg\n0.025750 0.502955 0.753517 Hg\n0.717630 0.282370 0.782370 Hg\n0.782370 0.782370 0.782370 Hg\n0.497045 0.246483 0.974250 Hg\n0.002955 0.746483 0.974250 Hg\n0.253517 0.025750 0.997045 Hg\n0.246483 0.525750 0.997045 Hg\n",
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{
"id": "oqmd-1340175",
"created_at": "2022-09-04T15:46:24.120977Z",
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"structure_string": "Tl32 Sb32\n1.0\n12.774927 0.000000 0.000000\n0.000000 12.774927 0.000000\n0.000000 0.000000 12.774927\nSb Tl\n32 32\ndirect\n0.083881 0.083881 0.083881 Sb\n0.916119 0.916119 0.083881 Sb\n0.593175 0.173321 0.091370 Sb\n0.406825 0.826679 0.091370 Sb\n0.408630 0.326679 0.093175 Sb\n0.591370 0.673321 0.093175 Sb\n0.908630 0.406825 0.173321 Sb\n0.091370 0.593175 0.173321 Sb\n0.093175 0.408630 0.326679 Sb\n0.906825 0.591370 0.326679 Sb\n0.826679 0.091370 0.406825 Sb\n0.173321 0.908630 0.406825 Sb\n0.326679 0.093175 0.408630 Sb\n0.673321 0.906825 0.408630 Sb\n0.583881 0.416119 0.416119 Sb\n0.416119 0.583881 0.416119 Sb\n0.416119 0.416119 0.583881 Sb\n0.583881 0.583881 0.583881 Sb\n0.673321 0.093175 0.591370 Sb\n0.326679 0.906825 0.591370 Sb\n0.173321 0.091370 0.593175 Sb\n0.826679 0.908630 0.593175 Sb\n0.906825 0.408630 0.673321 Sb\n0.093175 0.591370 0.673321 Sb\n0.091370 0.406825 0.826679 Sb\n0.908630 0.593175 0.826679 Sb\n0.591370 0.326679 0.906825 Sb\n0.408630 0.673321 0.906825 Sb\n0.406825 0.173321 0.908630 Sb\n0.593175 0.826679 0.908630 Sb\n0.916119 0.083881 0.916119 Sb\n0.083881 0.916119 0.916119 Sb\n0.146417 0.344737 0.073793 Tl\n0.853583 0.655263 0.073793 Tl\n0.344737 0.073793 0.146417 Tl\n0.655263 0.926207 0.146417 Tl\n0.646417 0.426207 0.155263 Tl\n0.353583 0.573793 0.155263 Tl\n0.828861 0.171139 0.171139 Tl\n0.171139 0.828861 0.171139 Tl\n0.328861 0.328861 0.328861 Tl\n0.671139 0.671139 0.328861 Tl\n0.073793 0.146417 0.344737 Tl\n0.926207 0.853583 0.344737 Tl\n0.573793 0.155263 0.353583 Tl\n0.426207 0.844737 0.353583 Tl\n0.844737 0.353583 0.426207 Tl\n0.155263 0.646417 0.426207 Tl\n0.155263 0.353583 0.573793 Tl\n0.844737 0.646417 0.573793 Tl\n0.426207 0.155263 0.646417 Tl\n0.573793 0.844737 0.646417 Tl\n0.926207 0.146417 0.655263 Tl\n0.073793 0.853583 0.655263 Tl\n0.671139 0.328861 0.671139 Tl\n0.328861 0.671139 0.671139 Tl\n0.171139 0.171139 0.828861 Tl\n0.828861 0.828861 0.828861 Tl\n0.353583 0.426207 0.844737 Tl\n0.646417 0.573793 0.844737 Tl\n0.655263 0.073793 0.853583 Tl\n0.344737 0.926207 0.853583 Tl\n0.853583 0.344737 0.926207 Tl\n0.146417 0.655263 0.926207 Tl\n",
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{
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"structure_string": "Al4 P4 I32\n1.0\n11.485786 0.000000 0.000000\n0.000000 11.147604 0.000000\n0.000000 0.000000 16.266528\nAl I P\n4 32 4\ndirect\n0.429670 0.508325 0.163911 Al\n0.929670 0.991675 0.163911 Al\n0.070330 0.008325 0.663911 Al\n0.570329 0.491675 0.663911 Al\n0.965566 0.045710 0.011166 I\n0.465566 0.454290 0.011166 I\n0.587404 0.063089 0.068264 I\n0.087405 0.436912 0.068264 I\n0.349281 0.723917 0.170700 I\n0.849281 0.776083 0.170700 I\n0.769819 0.137581 0.215343 I\n0.269820 0.362418 0.215343 I\n0.109902 0.017194 0.251431 I\n0.609903 0.482806 0.251431 I\n0.971860 0.633854 0.329738 I\n0.471861 0.866147 0.329738 I\n0.509363 0.198726 0.414750 I\n0.009363 0.301274 0.414750 I\n0.246720 0.536861 0.479756 I\n0.746719 0.963140 0.479756 I\n0.534434 0.545710 0.511166 I\n0.034434 0.954290 0.511166 I\n0.912596 0.563089 0.568264 I\n0.412595 0.936911 0.568264 I\n0.150718 0.223917 0.670699 I\n0.650718 0.276084 0.670699 I\n0.730180 0.637582 0.715343 I\n0.230180 0.862418 0.715343 I\n0.390098 0.517194 0.751431 I\n0.890098 0.982807 0.751431 I\n0.528141 0.133853 0.829739 I\n0.028140 0.366147 0.829739 I\n0.990638 0.698727 0.914750 I\n0.490638 0.801274 0.914750 I\n0.253280 0.036860 0.979757 I\n0.753281 0.463140 0.979757 I\n0.037067 0.512365 0.448409 P\n0.537066 0.987636 0.448409 P\n0.462934 0.012364 0.948408 P\n0.962934 0.487636 0.948408 P\n",
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{
"id": "oqmd-67877",
"created_at": "2022-09-04T15:33:40.697447Z",
"updated_at": "2022-09-04T15:33:40.697480Z",
"structure_string": "Na40 Sn8 Sb24\n1.0\n18.436973 0.000000 0.026313\n0.000000 9.187689 0.000000\n-1.770744 0.000000 12.282415\nNa Sb Sn\n40 24 8\ndirect\n0.348060 0.434625 0.012657 Na\n0.300742 0.824388 0.055054 Na\n0.027580 0.338382 0.083990 Na\n0.531198 0.318236 0.094360 Na\n0.804650 0.844749 0.096317 Na\n0.484961 0.940875 0.127773 Na\n0.994595 0.929776 0.135285 Na\n0.180682 0.069389 0.174411 Na\n0.128325 0.681440 0.223134 Na\n0.370360 0.186607 0.244319 Na\n0.629639 0.686607 0.255681 Na\n0.871674 0.181440 0.276866 Na\n0.819318 0.569389 0.325590 Na\n0.005405 0.429775 0.364715 Na\n0.515039 0.440876 0.372227 Na\n0.195350 0.344749 0.403683 Na\n0.468802 0.818236 0.405640 Na\n0.972420 0.838383 0.416010 Na\n0.699258 0.324388 0.444946 Na\n0.651940 0.934625 0.487343 Na\n0.348060 0.065376 0.512657 Na\n0.300741 0.675612 0.555054 Na\n0.027580 0.161617 0.583990 Na\n0.531198 0.181764 0.594361 Na\n0.804650 0.655251 0.596317 Na\n0.484961 0.559124 0.627773 Na\n0.994595 0.570224 0.635285 Na\n0.180682 0.430611 0.674410 Na\n0.128325 0.818561 0.723133 Na\n0.370361 0.313393 0.744318 Na\n0.629640 0.813393 0.755681 Na\n0.871675 0.318560 0.776866 Na\n0.819318 0.930612 0.825589 Na\n0.005405 0.070224 0.864715 Na\n0.515039 0.059125 0.872227 Na\n0.195350 0.155251 0.903683 Na\n0.468802 0.681764 0.905640 Na\n0.972420 0.661618 0.916010 Na\n0.699258 0.175612 0.944945 Na\n0.651940 0.565375 0.987343 Na\n0.881569 0.138751 0.013818 Sb\n0.633326 0.886847 0.032135 Sb\n0.213631 0.411948 0.144361 Sb\n0.935993 0.610193 0.164034 Sb\n0.454947 0.621945 0.168670 Sb\n0.705597 0.370364 0.183133 Sb\n0.294403 0.870364 0.316867 Sb\n0.545053 0.121946 0.331330 Sb\n0.064008 0.110192 0.335966 Sb\n0.786369 0.911948 0.355639 Sb\n0.366674 0.386847 0.467865 Sb\n0.118431 0.638751 0.486182 Sb\n0.881569 0.361249 0.513818 Sb\n0.633326 0.613153 0.532134 Sb\n0.213631 0.088053 0.644361 Sb\n0.935992 0.889808 0.664034 Sb\n0.454947 0.878054 0.668671 Sb\n0.705597 0.129637 0.683133 Sb\n0.294403 0.629636 0.816867 Sb\n0.545053 0.378055 0.831329 Sb\n0.064007 0.389807 0.835966 Sb\n0.786369 0.588052 0.855639 Sb\n0.366674 0.113154 0.967865 Sb\n0.118431 0.861249 0.986183 Sb\n0.827671 0.420464 0.055146 Sn\n0.668836 0.066215 0.220716 Sn\n0.331164 0.566214 0.279284 Sn\n0.172329 0.920463 0.444854 Sn\n0.827671 0.079537 0.555147 Sn\n0.668836 0.433786 0.720717 Sn\n0.331165 0.933785 0.779284 Sn\n0.172329 0.579536 0.944854 Sn\n",
"nsites": 72,
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"elements": [
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],
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"density": 3.8234247193008617,
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"volume": 2080.985348932721,
"volume_molar": 17.40553707051467,
"formula_full": "Na40 Sn8 Sb24",
"formula_reduced": "Na5SnSb3",
"formula_anonymous": "AB3C5",
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"spacegroup": 14
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{
"id": "oqmd-1340759",
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