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{
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{
"id": "mp-1180838",
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"structure_string": "Na16 V8 Co8 F56\n1.0\n3.736139 6.420064 0.000000\n-3.736139 6.420064 0.000000\n0.000000 4.317963 24.580151\nNa V Co F\n16 8 8 56\ndirect\n0.000000 0.000000 0.000000 Na\n0.000000 0.000000 0.500000 Na\n0.500000 0.500000 0.000000 Na\n0.500000 0.500000 0.500000 Na\n0.000000 0.500000 0.500000 Na\n0.500000 0.000000 0.000000 Na\n0.778253 0.221747 0.250000 Na\n0.221747 0.778253 0.750000 Na\n0.786050 0.707370 0.251864 Na\n0.292630 0.213950 0.248136 Na\n0.213950 0.292630 0.748136 Na\n0.707370 0.786050 0.751864 Na\n0.134524 0.117687 0.121708 Na\n0.882313 0.865476 0.378292 Na\n0.865476 0.882313 0.878292 Na\n0.117687 0.134524 0.621708 Na\n0.000000 0.500000 0.000000 V\n0.500000 0.000000 0.500000 V\n0.246671 0.753329 0.250000 V\n0.753329 0.246671 0.750000 V\n0.635538 0.111987 0.125766 V\n0.888013 0.364462 0.374234 V\n0.364462 0.888013 0.874234 V\n0.111987 0.635538 0.625766 V\n0.630914 0.614229 0.127668 Co\n0.385771 0.369086 0.372332 Co\n0.369086 0.385771 0.872332 Co\n0.614229 0.630914 0.627668 Co\n0.133537 0.613130 0.126206 Co\n0.386870 0.866463 0.373794 Co\n0.866463 0.386870 0.873794 Co\n0.613130 0.133537 0.626206 Co\n0.738516 0.585272 0.046937 F\n0.414728 0.261484 0.453063 F\n0.261484 0.414728 0.953063 F\n0.585272 0.738516 0.546937 F\n0.527040 0.636353 0.209374 F\n0.363647 0.472960 0.290626 F\n0.472960 0.363647 0.790626 F\n0.636353 0.527040 0.709374 F\n0.730302 0.301350 0.142216 F\n0.698650 0.269698 0.357784 F\n0.269698 0.698650 0.857784 F\n0.301350 0.730302 0.642216 F\n0.536350 0.925052 0.110291 F\n0.074948 0.463650 0.389709 F\n0.463650 0.074948 0.889709 F\n0.925052 0.536350 0.610291 F\n0.137912 0.584817 0.045608 F\n0.415183 0.862088 0.454392 F\n0.862088 0.415183 0.954392 F\n0.584817 0.137912 0.545608 F\n0.134166 0.633437 0.206239 F\n0.366563 0.865834 0.293761 F\n0.865834 0.366563 0.793761 F\n0.633437 0.134166 0.706239 F\n0.936545 0.924162 0.109177 F\n0.075838 0.063455 0.390823 F\n0.063455 0.075838 0.890823 F\n0.924162 0.936545 0.609177 F\n0.334205 0.302167 0.141690 F\n0.697833 0.665795 0.358310 F\n0.665795 0.697833 0.858310 F\n0.302167 0.334205 0.641690 F\n0.906493 0.537039 0.153870 F\n0.462961 0.093507 0.346130 F\n0.093507 0.462961 0.846130 F\n0.537039 0.906493 0.653870 F\n0.358000 0.692845 0.099642 F\n0.307155 0.642000 0.400358 F\n0.642000 0.307155 0.900358 F\n0.692845 0.358000 0.599642 F\n0.129828 0.205517 0.032713 F\n0.794483 0.870172 0.467287 F\n0.870172 0.794483 0.967287 F\n0.205517 0.129828 0.532713 F\n0.972570 0.862013 0.291018 F\n0.137987 0.027430 0.208982 F\n0.027430 0.137987 0.708982 F\n0.862013 0.972570 0.791018 F\n0.636909 0.030923 0.205765 F\n0.969077 0.363091 0.294235 F\n0.363091 0.969077 0.794235 F\n0.030923 0.636909 0.705765 F\n0.636288 0.188775 0.045573 F\n0.811225 0.363712 0.454427 F\n0.363712 0.811225 0.954427 F\n0.188775 0.636288 0.545573 F\n",
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"formula_full": "Na16 V8 Co8 F56",
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"spacegroup": 15
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{
"id": "mp-1220364",
"created_at": "2022-09-04T14:44:12.002865Z",
"structure_string": "Nb6 Si1 Sn1\n1.0\n5.236963 0.000000 0.000000\n0.000000 5.236963 0.000000\n0.000000 0.000000 5.236963\nNb Si Sn\n6 1 1\ndirect\n0.000000 0.500000 0.758745 Nb\n0.500000 0.241255 0.000000 Nb\n0.758745 0.000000 0.500000 Nb\n0.000000 0.500000 0.241255 Nb\n0.500000 0.758745 0.000000 Nb\n0.241255 0.000000 0.500000 Nb\n0.000000 0.000000 0.000000 Si\n0.500000 0.500000 0.500000 Sn\n",
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"formula_full": "Nb6 Si1 Sn1",
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{
"id": "mp-867115",
"created_at": "2022-09-04T14:44:12.009134Z",
"structure_string": "Li1 Cd2 Rh1\n1.0\n0.000000 3.254353 3.254353\n3.254353 0.000000 3.254353\n3.254353 3.254353 0.000000\nLi Cd Rh\n1 2 1\ndirect\n0.500000 0.500000 0.500000 Li\n0.750000 0.750000 0.750000 Cd\n0.250000 0.250000 0.250000 Cd\n0.000000 0.000000 0.000000 Rh\n",
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{
"id": "mp-1112180",
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"structure_string": "K2 Sc1 In1 Cl6\n1.0\n0.000000 5.511803 5.511803\n5.511803 0.000000 5.511803\n5.511803 5.511803 0.000000\nK Sc In Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 Sc\n0.500000 0.500000 0.500000 In\n0.773345 0.226655 0.226655 Cl\n0.226655 0.226655 0.773345 Cl\n0.226655 0.773345 0.773345 Cl\n0.226655 0.773345 0.226655 Cl\n0.773345 0.226655 0.773345 Cl\n0.773345 0.773345 0.226655 Cl\n",
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],
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{
"id": "mp-764547",
"created_at": "2022-09-04T14:44:12.026386Z",
"structure_string": "Li4 Fe8 B8 O24\n1.0\n5.283136 0.000000 0.000000\n-0.043823 9.069723 0.000000\n-2.386874 -4.484934 10.127775\nLi Fe B O\n4 8 8 24\ndirect\n0.825698 0.182924 0.344199 Li\n0.391350 0.040177 0.088875 Li\n0.070663 0.403066 0.834218 Li\n0.888252 0.553914 0.103816 Li\n0.593418 0.604347 0.864679 Fe\n0.903205 0.899722 0.118378 Fe\n0.161615 0.473497 0.616018 Fe\n0.347169 0.014048 0.374429 Fe\n0.649553 0.981224 0.629261 Fe\n0.847866 0.525991 0.370524 Fe\n0.096427 0.083634 0.866328 Fe\n0.394240 0.401482 0.119844 Fe\n0.352040 0.346038 0.365719 B\n0.112601 0.761806 0.879405 B\n0.848898 0.859047 0.371223 B\n0.593523 0.275829 0.870372 B\n0.142000 0.137037 0.622487 B\n0.395159 0.728748 0.121747 B\n0.658872 0.646630 0.621067 B\n0.902835 0.233154 0.128623 B\n0.875168 0.767512 0.915127 O\n0.556362 0.547058 0.672083 O\n0.767335 0.112717 0.142994 O\n0.464235 0.209623 0.365490 O\n0.109072 0.374107 0.398500 O\n0.212578 0.611181 0.834995 O\n0.733670 0.416122 0.886092 O\n0.966013 0.973131 0.337728 O\n0.313639 0.885473 0.172024 O\n0.363178 0.093825 0.570376 O\n0.051393 0.281793 0.639722 O\n0.625444 0.709957 0.076636 O\n0.354906 0.285093 0.904837 O\n0.630659 0.900003 0.423069 O\n0.702812 0.131192 0.823789 O\n0.024057 0.026398 0.656250 O\n0.248327 0.600471 0.114222 O\n0.806228 0.385598 0.162380 O\n0.869268 0.598725 0.562520 O\n0.550487 0.783722 0.628626 O\n0.940194 0.713290 0.347289 O\n0.248005 0.899263 0.897386 O\n0.476998 0.453118 0.332090 O\n0.132490 0.207817 0.086078 O\n",
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{
"id": "mp-1262892",
"created_at": "2022-09-04T14:44:12.052959Z",
"structure_string": "Li8 Cu4 Si16 O40\n1.0\n11.040069 0.000000 -0.053582\n0.000000 7.700518 0.000000\n-3.913815 0.000000 10.416057\nLi Cu Si O\n8 4 16 40\ndirect\n0.095633 0.250000 0.395365 Li\n0.042245 0.250000 0.107002 Li\n0.369445 0.250000 0.835412 Li\n0.384723 0.250000 0.445976 Li\n0.615276 0.750000 0.554024 Li\n0.630555 0.750000 0.164588 Li\n0.957755 0.750000 0.892998 Li\n0.904367 0.750000 0.604635 Li\n0.213918 0.029212 0.282176 Cu\n0.213918 0.470788 0.282176 Cu\n0.786082 0.529212 0.717824 Cu\n0.786082 0.970788 0.717824 Cu\n0.085040 0.047438 0.741236 Si\n0.085040 0.452562 0.741236 Si\n0.261906 0.954915 0.589196 Si\n0.261906 0.545085 0.589196 Si\n0.237325 0.549644 0.015224 Si\n0.237325 0.950356 0.015224 Si\n0.530897 0.946071 0.776151 Si\n0.530897 0.553929 0.776151 Si\n0.469103 0.053929 0.223849 Si\n0.469103 0.446071 0.223849 Si\n0.762675 0.049644 0.984776 Si\n0.762675 0.450356 0.984776 Si\n0.738094 0.045085 0.410804 Si\n0.738094 0.454915 0.410804 Si\n0.914960 0.547438 0.258764 Si\n0.914960 0.952562 0.258764 Si\n0.043558 0.250000 0.704054 O\n0.213906 0.049699 0.876574 O\n0.213906 0.450301 0.876574 O\n0.181479 0.750000 0.981324 O\n0.132725 0.532515 0.628574 O\n0.132725 0.967485 0.628574 O\n0.030931 0.070261 0.249947 O\n0.030931 0.429739 0.249947 O\n0.292308 0.750000 0.570291 O\n0.245527 0.071595 0.465039 O\n0.245527 0.428405 0.465039 O\n0.166192 0.448732 0.097696 O\n0.166192 0.051268 0.097696 O\n0.383646 0.464814 0.715874 O\n0.383646 0.035186 0.715874 O\n0.513585 0.750000 0.825435 O\n0.604053 0.060027 0.907566 O\n0.604053 0.439973 0.907566 O\n0.399593 0.049073 0.328833 O\n0.399593 0.450927 0.328833 O\n0.600407 0.549073 0.671167 O\n0.600407 0.950927 0.671167 O\n0.395947 0.560027 0.092434 O\n0.395947 0.939973 0.092434 O\n0.486415 0.250000 0.174565 O\n0.616354 0.535186 0.284126 O\n0.616354 0.964814 0.284126 O\n0.833808 0.948732 0.902304 O\n0.833808 0.551268 0.902304 O\n0.754473 0.571595 0.534961 O\n0.754473 0.928405 0.534961 O\n0.707692 0.250000 0.429709 O\n0.969069 0.570261 0.750053 O\n0.969069 0.929739 0.750053 O\n0.867275 0.032515 0.371426 O\n0.867275 0.467485 0.371426 O\n0.818521 0.250000 0.018676 O\n0.786094 0.549699 0.123426 O\n0.786094 0.950301 0.123426 O\n0.956442 0.750000 0.295946 O\n",
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{
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"structure_string": "Ag2 Bi6 Pb2 S12\n1.0\n2.060103 -6.863690 0.000000\n2.060103 6.863690 0.000000\n0.000000 0.000000 20.000883\nAg Bi Pb S\n2 6 2 12\ndirect\n0.060839 0.939161 0.140160 Ag\n0.939161 0.060839 0.640160 Ag\n0.369806 0.630194 0.456657 Bi\n0.644141 0.355859 0.554766 Bi\n0.355859 0.644141 0.054766 Bi\n0.630194 0.369806 0.956657 Bi\n0.900182 0.099818 0.858824 Bi\n0.099818 0.900182 0.358824 Bi\n0.823424 0.176576 0.243212 Pb\n0.176576 0.823424 0.743212 Pb\n0.984095 0.015905 0.506898 S\n0.015905 0.984095 0.006898 S\n0.738275 0.261725 0.405097 S\n0.260860 0.739140 0.589695 S\n0.739140 0.260860 0.089695 S\n0.261725 0.738275 0.905097 S\n0.175167 0.824833 0.240237 S\n0.824833 0.175167 0.740237 S\n0.464169 0.535831 0.336730 S\n0.556108 0.443892 0.667722 S\n0.443892 0.556108 0.167722 S\n0.535831 0.464169 0.836730 S\n",
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