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{
"id": "mp-778181",
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"structure_string": "Mn12 O7 F17\n1.0\n4.831847 0.000000 0.000000\n0.215481 5.819783 0.000000\n0.247260 0.165763 15.755820\nMn O F\n12 7 17\ndirect\n0.957259 0.164449 0.588627 Mn\n0.005519 0.832997 0.753908 Mn\n0.044161 0.185477 0.921428 Mn\n0.945620 0.159584 0.247106 Mn\n0.004393 0.855032 0.412110 Mn\n0.970379 0.845149 0.087976 Mn\n0.527937 0.324202 0.418528 Mn\n0.492771 0.361256 0.083887 Mn\n0.510615 0.341483 0.749109 Mn\n0.480234 0.639219 0.912536 Mn\n0.501084 0.646205 0.579466 Mn\n0.532437 0.655618 0.246826 Mn\n0.766105 0.121507 0.694978 O\n0.792137 0.113707 0.359511 O\n0.767406 0.883095 0.198153 O\n0.708484 0.369917 0.528087 O\n0.709268 0.400114 0.186229 O\n0.300012 0.399643 0.977182 O\n0.291566 0.588396 0.807934 O\n0.759853 0.131267 0.030036 F\n0.753456 0.864028 0.865756 F\n0.763046 0.877323 0.522318 F\n0.755306 0.367739 0.852789 F\n0.736466 0.614220 0.691026 F\n0.747923 0.611174 0.362520 F\n0.720770 0.631368 0.017389 F\n0.262287 0.391107 0.644938 F\n0.267463 0.612445 0.465601 F\n0.257436 0.615324 0.137615 F\n0.296591 0.388423 0.308601 F\n0.253666 0.094806 0.806533 F\n0.209761 0.120730 0.482130 F\n0.216877 0.890960 0.632867 F\n0.221778 0.891335 0.979889 F\n0.206538 0.130947 0.142614 F\n0.263396 0.879755 0.303801 F\n",
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{
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"structure_string": "Na40 Ga24 Sn12\n1.0\n14.641476 0.000000 0.000000\n0.000000 14.641476 0.000000\n0.000000 0.000000 9.042638\nNa Ga Sn\n40 24 12\ndirect\n0.506693 0.776274 0.307359 Na\n0.589861 0.589861 0.500000 Na\n0.633479 0.815049 0.000000 Na\n0.184951 0.366521 0.000000 Na\n0.506693 0.776274 0.692641 Na\n0.493307 0.223726 0.692641 Na\n0.815049 0.633479 0.000000 Na\n0.264153 0.735847 0.184170 Na\n0.223726 0.493307 0.692641 Na\n0.866521 0.315049 0.500000 Na\n0.089861 0.910139 0.000000 Na\n0.735847 0.264153 0.815830 Na\n0.764153 0.764153 0.684170 Na\n0.276274 0.993307 0.807359 Na\n0.993307 0.276274 0.192641 Na\n0.133479 0.684951 0.500000 Na\n0.264153 0.735847 0.815830 Na\n0.776274 0.506693 0.692641 Na\n0.223726 0.493307 0.307359 Na\n0.006693 0.723726 0.807359 Na\n0.410139 0.410139 0.500000 Na\n0.235847 0.235847 0.315830 Na\n0.366521 0.184951 0.000000 Na\n0.500000 0.000000 0.250000 Na\n0.993307 0.276274 0.807359 Na\n0.776274 0.506693 0.307359 Na\n0.276274 0.993307 0.192641 Na\n0.723726 0.006693 0.192641 Na\n0.735847 0.264153 0.184170 Na\n0.493307 0.223726 0.307359 Na\n0.723726 0.006693 0.807359 Na\n0.684951 0.133479 0.500000 Na\n0.315049 0.866521 0.500000 Na\n0.764153 0.764153 0.315830 Na\n0.910139 0.089861 0.000000 Na\n0.500000 0.000000 0.750000 Na\n0.235847 0.235847 0.684170 Na\n0.006693 0.723726 0.192641 Na\n0.000000 0.500000 0.750000 Na\n0.000000 0.500000 0.250000 Na\n0.065390 0.065390 0.259586 Ga\n0.610484 0.610484 0.150935 Ga\n0.110484 0.889516 0.650935 Ga\n0.434610 0.565390 0.759586 Ga\n0.389516 0.389516 0.849065 Ga\n0.110484 0.889516 0.349065 Ga\n0.824731 0.958218 0.500000 Ga\n0.041782 0.175269 0.500000 Ga\n0.541782 0.324731 0.000000 Ga\n0.434610 0.565390 0.240414 Ga\n0.389516 0.389516 0.150935 Ga\n0.889516 0.110484 0.650935 Ga\n0.324731 0.541782 0.000000 Ga\n0.175269 0.041782 0.500000 Ga\n0.675269 0.458218 0.000000 Ga\n0.934610 0.934610 0.740414 Ga\n0.934610 0.934610 0.259586 Ga\n0.565390 0.434610 0.759586 Ga\n0.889516 0.110484 0.349065 Ga\n0.458218 0.675269 0.000000 Ga\n0.958218 0.824731 0.500000 Ga\n0.565390 0.434610 0.240414 Ga\n0.065390 0.065390 0.740414 Ga\n0.610484 0.610484 0.849065 Ga\n0.085074 0.359220 0.500000 Sn\n0.414926 0.859220 0.000000 Sn\n0.142095 0.142095 0.000000 Sn\n0.359220 0.085074 0.500000 Sn\n0.585074 0.140780 0.000000 Sn\n0.857905 0.857905 0.000000 Sn\n0.859220 0.414926 0.000000 Sn\n0.914926 0.640780 0.500000 Sn\n0.642095 0.357905 0.500000 Sn\n0.357905 0.642095 0.500000 Sn\n0.140780 0.585074 0.000000 Sn\n0.640780 0.914926 0.500000 Sn\n",
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"formula_full": "Na40 Ga24 Sn12",
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{
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"structure_string": "K1 Rb2 Sc1 F6\n1.0\n0.000000 4.599441 4.599441\n4.599441 0.000000 4.599441\n4.599441 4.599441 0.000000\nK Rb Sc F\n1 2 1 6\ndirect\n0.500000 0.500000 0.500000 K\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Sc\n0.778593 0.221407 0.221407 F\n0.221407 0.221407 0.778593 F\n0.221407 0.778593 0.778593 F\n0.221407 0.778593 0.221407 F\n0.778593 0.221407 0.778593 F\n0.778593 0.778593 0.221407 F\n",
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{
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"created_at": "2022-09-04T14:47:57.997446Z",
"structure_string": "Cr4 O12\n1.0\n5.338271 0.000000 0.000000\n0.000000 5.560871 0.000000\n0.000000 0.000000 8.666514\nCr O\n4 12\ndirect\n0.571501 0.226205 0.310350 Cr\n0.071501 0.273795 0.810350 Cr\n0.928499 0.726205 0.310350 Cr\n0.428499 0.773795 0.810350 Cr\n0.893940 0.219841 0.666850 O\n0.331124 0.081107 0.804750 O\n0.413283 0.273158 0.463198 O\n0.913283 0.226842 0.963198 O\n0.831124 0.418893 0.304750 O\n0.393940 0.280159 0.166850 O\n0.606060 0.719841 0.666850 O\n0.168876 0.581107 0.804750 O\n0.086717 0.773158 0.463198 O\n0.586717 0.726842 0.963198 O\n0.668876 0.918893 0.304750 O\n0.106060 0.780159 0.166850 O\n",
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{
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{
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{
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"structure_string": "Ba1 La3 Ni2 O8\n1.0\n-3.883774 3.883766 0.000195\n-3.909555 -3.909552 -0.000007\n-1.942051 1.942081 6.438610\nBa La Ni O\n1 3 2 8\ndirect\n0.855561 0.499997 0.288846 Ba\n0.362175 0.999985 0.275646 La\n0.639533 0.000001 0.720852 La\n0.136429 0.499998 0.727044 La\n0.498213 0.499982 0.003738 Ni\n0.996728 0.000005 0.006491 Ni\n0.182461 0.999976 0.635145 O\n0.657631 0.500002 0.684817 O\n0.322268 0.500025 0.355431 O\n0.823475 0.000025 0.352960 O\n0.755148 0.237881 0.987232 O\n0.257602 0.762092 0.987298 O\n0.755200 0.762077 0.987232 O\n0.257576 0.237955 0.987268 O\n",
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{
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"structure_string": "Ca2 Ti2 F10\n1.0\n3.342757 4.587366 0.000000\n-3.342757 4.587366 0.000000\n0.000000 3.263826 7.046768\nCa Ti F\n2 2 10\ndirect\n0.540775 0.459225 0.750000 Ca\n0.459225 0.540775 0.250000 Ca\n0.000000 0.000000 0.000000 Ti\n0.000000 0.000000 0.500000 Ti\n0.248658 0.208194 0.881782 F\n0.791806 0.751342 0.618218 F\n0.751342 0.791806 0.118218 F\n0.208194 0.248658 0.381782 F\n0.904474 0.095526 0.750000 F\n0.095526 0.904474 0.250000 F\n0.688203 0.289839 0.469144 F\n0.710161 0.311797 0.030856 F\n0.311797 0.710161 0.530856 F\n0.289839 0.688203 0.969144 F\n",
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{
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"structure_string": "Li9 Mn2 Co5 O16\n1.0\n3.011930 0.000000 0.000000\n0.540047 9.884180 0.000000\n1.266027 2.886557 9.744702\nLi Mn Co O\n9 2 5 16\ndirect\n0.935169 0.682438 0.124718 Li\n0.441029 0.191031 0.128810 Li\n0.316054 0.559519 0.372624 Li\n0.817964 0.062085 0.373418 Li\n0.681748 0.438385 0.626683 Li\n0.182958 0.938485 0.627327 Li\n0.064860 0.317473 0.875670 Li\n0.559645 0.809029 0.871304 Li\n0.499509 0.499216 0.000736 Li\n0.000876 0.000123 0.999699 Mn\n0.748333 0.749920 0.501849 Mn\n0.375375 0.873478 0.250091 Co\n0.878319 0.381525 0.241094 Co\n0.256147 0.248744 0.498427 Co\n0.110395 0.618523 0.761314 Co\n0.633902 0.127312 0.747326 Co\n0.436148 0.848547 0.067990 O\n0.953535 0.342533 0.083656 O\n0.813839 0.727699 0.316478 O\n0.308078 0.227510 0.317873 O\n0.184155 0.599646 0.574921 O\n0.736291 0.102721 0.567837 O\n0.568721 0.480633 0.808957 O\n0.069132 0.981026 0.813423 O\n0.422423 0.518724 0.191505 O\n0.935511 0.020148 0.185363 O\n0.773835 0.397664 0.425937 O\n0.312453 0.901385 0.431095 O\n0.195376 0.273574 0.680600 O\n0.679078 0.771659 0.684951 O\n0.562739 0.152863 0.930198 O\n0.046404 0.656380 0.918128 O\n",
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{
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},
{
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{
"id": "mp-1210426",
"created_at": "2022-09-04T14:47:56.121296Z",
"structure_string": "Na8 Ca8 Ti8 Si8 O44 F6\n1.0\n5.121623 5.121606 0.000000\n-5.121623 5.121606 0.000000\n0.000000 2.576913 20.400467\nNa Ca Ti Si O F\n8 8 8 8 44 6\ndirect\n0.445908 0.325506 0.696213 Na\n0.554092 0.674494 0.303787 Na\n0.674494 0.554092 0.803787 Na\n0.325506 0.445908 0.196213 Na\n0.674607 0.044561 0.803975 Na\n0.325393 0.955439 0.196025 Na\n0.955439 0.325393 0.696025 Na\n0.044561 0.674607 0.303975 Na\n0.233535 0.103045 0.566928 Ca\n0.766465 0.896955 0.433072 Ca\n0.896955 0.766465 0.933072 Ca\n0.103045 0.233535 0.066928 Ca\n0.232735 0.613062 0.569545 Ca\n0.767265 0.386938 0.430455 Ca\n0.386938 0.767265 0.930455 Ca\n0.613062 0.232735 0.069545 Ca\n0.451666 0.830212 0.685091 Ti\n0.548334 0.169788 0.314909 Ti\n0.169788 0.548334 0.814909 Ti\n0.830212 0.451666 0.185091 Ti\n0.169821 0.044422 0.815085 Ti\n0.830179 0.955578 0.184915 Ti\n0.955578 0.830179 0.684915 Ti\n0.044422 0.169821 0.315085 Ti\n0.423356 0.271110 0.915734 Si\n0.576644 0.728890 0.084266 Si\n0.728890 0.576644 0.584266 Si\n0.271110 0.423356 0.415734 Si\n0.728729 0.131377 0.583950 Si\n0.271271 0.868623 0.416050 Si\n0.868623 0.271271 0.916050 Si\n0.131377 0.728729 0.083950 Si\n0.529008 0.043673 0.617282 O\n0.470992 0.956327 0.382718 O\n0.956327 0.470992 0.882718 O\n0.043673 0.529008 0.117282 O\n0.747983 0.124359 0.505264 O\n0.252017 0.875641 0.494736 O\n0.875641 0.252017 0.994736 O\n0.124359 0.747983 0.005264 O\n0.529088 0.647546 0.617586 O\n0.470912 0.352454 0.382414 O\n0.352454 0.470912 0.882414 O\n0.647546 0.529088 0.117586 O\n0.002023 0.997977 0.750000 O\n0.997977 0.002023 0.250000 O\n0.212953 0.838890 0.647675 O\n0.787047 0.161110 0.352325 O\n0.161110 0.787047 0.852325 O\n0.838890 0.212953 0.147675 O\n0.623703 0.748356 0.005284 O\n0.376297 0.251644 0.994716 O\n0.251644 0.376297 0.494716 O\n0.748356 0.623703 0.505284 O\n0.371874 0.628126 0.750000 O\n0.628126 0.371874 0.250000 O\n0.650886 0.275458 0.896900 O\n0.349114 0.724542 0.103100 O\n0.724542 0.349114 0.603100 O\n0.275458 0.650886 0.396900 O\n0.371958 0.997988 0.750107 O\n0.628042 0.002012 0.249893 O\n0.002012 0.628042 0.749893 O\n0.997988 0.371958 0.250107 O\n0.696160 0.822497 0.714099 O\n0.303840 0.177503 0.285901 O\n0.177503 0.303840 0.785901 O\n0.822497 0.696160 0.214099 O\n0.352224 0.088053 0.882554 O\n0.647776 0.911947 0.117446 O\n0.911947 0.647776 0.617446 O\n0.088053 0.352224 0.382554 O\n0.912283 0.043408 0.617039 O\n0.087717 0.956592 0.382961 O\n0.956592 0.087717 0.882961 O\n0.043408 0.912283 0.117039 O\n0.687239 0.312761 0.750000 F\n0.312761 0.687239 0.250000 F\n0.659348 0.782573 0.869310 F\n0.340652 0.217427 0.130690 F\n0.217427 0.340652 0.630690 F\n0.782573 0.659348 0.369310 F\n",
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]
}