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{
"id": "mp-1208579",
"created_at": "2022-09-04T14:46:57.486495Z",
"structure_string": "Ta2 N2 Cl12\n1.0\n3.230659 6.179467 0.000000\n-3.230659 6.179467 0.000000\n0.000000 2.624645 12.195075\nTa N Cl\n2 2 12\ndirect\n0.500000 0.000000 0.500000 Ta\n0.000000 0.500000 0.000000 Ta\n0.880790 0.119210 0.750000 N\n0.119210 0.880790 0.250000 N\n0.464151 0.700230 0.602810 Cl\n0.535849 0.299770 0.397190 Cl\n0.299770 0.535849 0.897190 Cl\n0.700230 0.464151 0.102810 Cl\n0.370743 0.200123 0.658130 Cl\n0.629257 0.799877 0.341870 Cl\n0.799877 0.629257 0.841870 Cl\n0.200123 0.370743 0.158130 Cl\n0.795540 0.892231 0.040473 Cl\n0.204460 0.107769 0.959527 Cl\n0.107769 0.204460 0.459527 Cl\n0.892231 0.795540 0.540473 Cl\n",
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{
"id": "mp-1228737",
"created_at": "2022-09-04T14:46:57.510574Z",
"structure_string": "Ca28 Mn2 P18 O72 F6\n1.0\n4.730256 -8.193043 0.000000\n4.730256 8.193043 0.000000\n0.000000 0.000000 20.718678\nCa Mn P O F\n28 2 18 72 6\ndirect\n0.000000 0.000000 0.830987 Ca\n0.000000 0.000000 0.498671 Ca\n0.000000 0.000000 0.166169 Ca\n0.333333 0.666667 0.998496 Ca\n0.333333 0.666667 0.664971 Ca\n0.333333 0.666667 0.331639 Ca\n0.333333 0.666667 0.832147 Ca\n0.333333 0.666667 0.498865 Ca\n0.333333 0.666667 0.165714 Ca\n0.000000 0.000000 0.999012 Ca\n0.913834 0.576381 0.915176 Ca\n0.913739 0.576716 0.582058 Ca\n0.913733 0.576669 0.248800 Ca\n0.662546 0.086166 0.915176 Ca\n0.662978 0.086261 0.582058 Ca\n0.662935 0.086267 0.248800 Ca\n0.423619 0.337454 0.915176 Ca\n0.423284 0.337022 0.582058 Ca\n0.423331 0.337065 0.248800 Ca\n0.419436 0.090211 0.748248 Ca\n0.419239 0.090110 0.415000 Ca\n0.419296 0.090127 0.081995 Ca\n0.670775 0.580564 0.748248 Ca\n0.670870 0.580761 0.415000 Ca\n0.670831 0.580704 0.081995 Ca\n0.909789 0.329225 0.748248 Ca\n0.909890 0.329130 0.415000 Ca\n0.909873 0.329169 0.081995 Ca\n0.000000 0.000000 0.666312 Mn\n0.000000 0.000000 0.333160 Mn\n0.695902 0.731254 0.914840 P\n0.697385 0.731799 0.582382 P\n0.697311 0.731744 0.249107 P\n0.035352 0.304098 0.914840 P\n0.034415 0.302615 0.582382 P\n0.034433 0.302689 0.249107 P\n0.268746 0.964648 0.914840 P\n0.268201 0.965585 0.582382 P\n0.268256 0.965567 0.249107 P\n0.639230 0.935303 0.747368 P\n0.639316 0.935297 0.414041 P\n0.637587 0.935350 0.081589 P\n0.296073 0.360770 0.747368 P\n0.295982 0.360684 0.414041 P\n0.297763 0.362413 0.081589 P\n0.064697 0.703927 0.747368 P\n0.064703 0.704018 0.414041 P\n0.064650 0.702237 0.081589 P\n0.754490 0.679268 0.853967 O\n0.755469 0.681354 0.520855 O\n0.755449 0.681297 0.187619 O\n0.924778 0.245510 0.853967 O\n0.925885 0.244531 0.520855 O\n0.925848 0.244551 0.187619 O\n0.320732 0.075222 0.853967 O\n0.318646 0.074115 0.520855 O\n0.318703 0.074152 0.187619 O\n0.578721 0.987084 0.687151 O\n0.578720 0.987146 0.353868 O\n0.578825 0.987404 0.020805 O\n0.408363 0.421279 0.687151 O\n0.408426 0.421280 0.353868 O\n0.408580 0.421175 0.020805 O\n0.012916 0.591637 0.687151 O\n0.012854 0.591574 0.353868 O\n0.012596 0.591420 0.020805 O\n0.588866 0.998586 0.807323 O\n0.589039 0.998481 0.474103 O\n0.585191 0.997651 0.141256 O\n0.409721 0.411134 0.807323 O\n0.409442 0.410961 0.474103 O\n0.412460 0.414809 0.141256 O\n0.001414 0.590279 0.807323 O\n0.001519 0.590558 0.474103 O\n0.002349 0.587540 0.141256 O\n0.748279 0.668787 0.974420 O\n0.746252 0.664489 0.641202 O\n0.746243 0.664470 0.307924 O\n0.920509 0.251721 0.974420 O\n0.918238 0.253748 0.641202 O\n0.918228 0.253757 0.307924 O\n0.331213 0.079491 0.974420 O\n0.335511 0.081762 0.641202 O\n0.335530 0.081772 0.307924 O\n0.508607 0.659885 0.914260 O\n0.510264 0.662541 0.580954 O\n0.510296 0.662717 0.247705 O\n0.151277 0.491393 0.914260 O\n0.152277 0.489736 0.580954 O\n0.152420 0.489704 0.247705 O\n0.340115 0.848723 0.914260 O\n0.337459 0.847723 0.580954 O\n0.337283 0.847580 0.247705 O\n0.827230 0.005646 0.745267 O\n0.827287 0.005653 0.412001 O\n0.824733 0.006500 0.081074 O\n0.178416 0.172770 0.745267 O\n0.178366 0.172713 0.412001 O\n0.181767 0.175267 0.081074 O\n0.994354 0.821584 0.745267 O\n0.994347 0.821634 0.412001 O\n0.993500 0.818233 0.081074 O\n0.788478 0.921530 0.916528 O\n0.793049 0.922599 0.586042 O\n0.792989 0.922571 0.252779 O\n0.133052 0.211522 0.916528 O\n0.129551 0.206951 0.586042 O\n0.129583 0.207011 0.252779 O\n0.078470 0.866948 0.916528 O\n0.077401 0.870449 0.586042 O\n0.077429 0.870417 0.252779 O\n0.545504 0.745011 0.749821 O\n0.545481 0.745001 0.416464 O\n0.544844 0.745023 0.083251 O\n0.199506 0.454496 0.749821 O\n0.199520 0.454519 0.416464 O\n0.200179 0.455156 0.083251 O\n0.254989 0.800494 0.749821 O\n0.254999 0.800480 0.416464 O\n0.254977 0.799821 0.083251 O\n0.666667 0.333333 0.914603 F\n0.666667 0.333333 0.581077 F\n0.666667 0.333333 0.247712 F\n0.666667 0.333333 0.747986 F\n0.666667 0.333333 0.414681 F\n0.666667 0.333333 0.081272 F\n",
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"volume_molar": 7.675422187867106,
"formula_full": "Ca28 Mn2 P18 O72 F6",
"formula_reduced": "Ca14MnP9(O12F)3",
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"updated_at": "2021-11-28T01:37:52.500000Z",
"spacegroup": 143
},
{
"id": "mp-1194890",
"created_at": "2022-09-04T14:46:57.532341Z",
"structure_string": "Mg63 Si32 Bi1\n1.0\n12.750011 0.000000 0.000000\n0.000000 12.750011 0.000000\n0.000000 0.000000 12.750011\nMg Si Bi\n63 32 1\ndirect\n0.744741 0.000000 0.000000 Mg\n0.000000 0.000000 0.255259 Mg\n0.000000 0.744741 0.000000 Mg\n0.000000 0.000000 0.744741 Mg\n0.000000 0.255259 0.000000 Mg\n0.255259 0.000000 0.000000 Mg\n0.749806 0.500000 0.500000 Mg\n0.500000 0.500000 0.250194 Mg\n0.500000 0.749806 0.500000 Mg\n0.500000 0.500000 0.749806 Mg\n0.500000 0.250194 0.500000 Mg\n0.250194 0.500000 0.500000 Mg\n0.249946 0.500000 0.000000 Mg\n0.500000 0.000000 0.750054 Mg\n0.000000 0.249946 0.500000 Mg\n0.249946 0.000000 0.500000 Mg\n0.500000 0.249946 0.000000 Mg\n0.000000 0.500000 0.750054 Mg\n0.500000 0.000000 0.249946 Mg\n0.000000 0.750054 0.500000 Mg\n0.500000 0.750054 0.000000 Mg\n0.000000 0.500000 0.249946 Mg\n0.750054 0.500000 0.000000 Mg\n0.750054 0.000000 0.500000 Mg\n0.500000 0.000000 0.000000 Mg\n0.000000 0.000000 0.500000 Mg\n0.000000 0.500000 0.000000 Mg\n0.250092 0.250092 0.250092 Mg\n0.250092 0.749908 0.749908 Mg\n0.749908 0.250092 0.749908 Mg\n0.749908 0.749908 0.250092 Mg\n0.747306 0.252694 0.252694 Mg\n0.252694 0.747306 0.252694 Mg\n0.747306 0.747306 0.747306 Mg\n0.252694 0.252694 0.747306 Mg\n0.750013 0.750013 0.499841 Mg\n0.750013 0.500158 0.249987 Mg\n0.500158 0.750013 0.249987 Mg\n0.750013 0.249987 0.500158 Mg\n0.750013 0.499841 0.750013 Mg\n0.500158 0.249987 0.750013 Mg\n0.249987 0.750013 0.500158 Mg\n0.249987 0.500158 0.750013 Mg\n0.499841 0.750013 0.750013 Mg\n0.249987 0.249987 0.499841 Mg\n0.249987 0.499841 0.249987 Mg\n0.499841 0.249987 0.249987 Mg\n0.999031 0.749312 0.250688 Mg\n0.749312 0.749312 0.000969 Mg\n0.749312 0.999031 0.250688 Mg\n0.999031 0.250688 0.749312 Mg\n0.749312 0.250688 0.999031 Mg\n0.749312 0.000969 0.749312 Mg\n0.000969 0.749312 0.749312 Mg\n0.250688 0.749312 0.999031 Mg\n0.250688 0.999031 0.749312 Mg\n0.000969 0.250688 0.250688 Mg\n0.250688 0.250688 0.000969 Mg\n0.250688 0.000969 0.250688 Mg\n0.500000 0.000000 0.500000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.500000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.128634 0.128634 0.871366 Si\n0.128634 0.871366 0.128634 Si\n0.871366 0.128634 0.128634 Si\n0.871366 0.871366 0.871366 Si\n0.625312 0.125261 0.874739 Si\n0.125261 0.125261 0.374688 Si\n0.125261 0.625312 0.874739 Si\n0.625312 0.874739 0.125261 Si\n0.125261 0.874739 0.625312 Si\n0.125261 0.374688 0.125261 Si\n0.374688 0.125261 0.125261 Si\n0.874739 0.125261 0.625312 Si\n0.874739 0.625312 0.125261 Si\n0.374688 0.874739 0.874739 Si\n0.874739 0.874739 0.374688 Si\n0.874739 0.374688 0.874739 Si\n0.625550 0.125218 0.374450 Si\n0.125218 0.625550 0.374450 Si\n0.625550 0.625550 0.874782 Si\n0.625550 0.874782 0.625550 Si\n0.125218 0.374450 0.625550 Si\n0.625550 0.374450 0.125218 Si\n0.374450 0.125218 0.625550 Si\n0.874782 0.625550 0.625550 Si\n0.374450 0.625550 0.125218 Si\n0.374450 0.874782 0.374450 Si\n0.874782 0.374450 0.374450 Si\n0.374450 0.374450 0.874782 Si\n0.625295 0.625295 0.374705 Si\n0.625295 0.374705 0.625295 Si\n0.374705 0.625295 0.625295 Si\n0.374705 0.374705 0.374705 Si\n0.000000 0.000000 0.000000 Bi\n",
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{
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"structure_string": "Sr5 La3 Mn8 O20 F4\n1.0\n5.628558 0.000000 0.000000\n0.018228 5.689500 0.000000\n0.018118 0.030595 15.559215\nSr La Mn O F\n5 3 8 20 4\ndirect\n0.009458 0.497822 0.876896 Sr\n0.005579 0.498924 0.376544 Sr\n0.498827 0.999814 0.620842 Sr\n0.486678 0.998437 0.125511 Sr\n0.500265 0.993272 0.878445 Sr\n0.528251 0.000320 0.381879 La\n0.975369 0.500672 0.616707 La\n0.000050 0.502853 0.123057 La\n0.010668 0.985174 0.998452 Mn\n0.501189 0.499988 0.750822 Mn\n0.509653 0.487922 0.248869 Mn\n0.487344 0.510510 0.998459 Mn\n0.497985 0.501541 0.499722 Mn\n0.003041 0.998044 0.750829 Mn\n0.003669 0.001746 0.500104 Mn\n0.988000 0.013353 0.249159 Mn\n0.990402 0.926566 0.625877 O\n0.010846 0.925361 0.126183 O\n0.233235 0.267283 0.518900 O\n0.234456 0.264844 0.232166 O\n0.226662 0.266758 0.017473 O\n0.257514 0.755718 0.987424 O\n0.250795 0.749694 0.762580 O\n0.268566 0.767947 0.482907 O\n0.493571 0.434374 0.874699 O\n0.496594 0.426631 0.374254 O\n0.497351 0.555997 0.125721 O\n0.525283 0.560570 0.625667 O\n0.763515 0.260759 0.732072 O\n0.742090 0.244213 0.512321 O\n0.748495 0.251234 0.229652 O\n0.761827 0.732346 0.988326 O\n0.758870 0.745569 0.484266 O\n0.747406 0.754390 0.266995 O\n0.000607 0.057260 0.875250 O\n0.990728 0.057662 0.374274 O\n0.247404 0.255083 0.723135 F\n0.259794 0.761073 0.270208 F\n0.738061 0.237287 0.019993 F\n0.749903 0.750989 0.773361 F\n",
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{
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"structure_string": "Sr3 Pr1 Mn4 O12\n1.0\n-3.884383 3.884383 3.884383\n3.884383 -3.884383 3.884383\n3.884383 3.884383 -3.884383\nSr Pr Mn O\n3 1 4 12\ndirect\n0.500000 0.500000 0.000000 Sr\n0.000000 0.500000 0.500000 Sr\n0.500000 0.000000 0.500000 Sr\n0.000000 0.000000 0.000000 Pr\n0.000000 0.000000 0.500000 Mn\n0.500000 0.500000 0.500000 Mn\n0.500000 0.000000 0.000000 Mn\n0.000000 0.500000 0.000000 Mn\n0.490361 0.245181 0.245181 O\n0.000000 0.754819 0.245181 O\n0.000000 0.245181 0.754819 O\n0.509639 0.754819 0.754819 O\n0.754819 0.509639 0.754819 O\n0.245181 0.000000 0.754819 O\n0.245181 0.490361 0.245181 O\n0.754819 0.000000 0.245181 O\n0.754819 0.754819 0.509639 O\n0.245181 0.245181 0.490361 O\n0.245181 0.754819 0.000000 O\n0.754819 0.245181 0.000000 O\n",
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{
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"structure_string": "Te2 Mo1 W3 Se4 S2\n1.0\n1.671693 -2.895457 0.000000\n1.671693 2.895457 0.000000\n0.000000 0.000000 38.052668\nTe Mo W Se S\n2 1 3 4 2\ndirect\n0.333333 0.666667 0.707632 Te\n0.333333 0.666667 0.607453 Te\n0.666667 0.333333 0.281815 Mo\n0.333333 0.666667 0.093909 W\n0.333333 0.666667 0.469660 W\n0.666667 0.333333 0.657571 W\n0.333333 0.666667 0.325553 Se\n0.666667 0.333333 0.049959 Se\n0.666667 0.333333 0.137856 Se\n0.333333 0.666667 0.238029 Se\n0.666667 0.333333 0.429657 S\n0.666667 0.333333 0.509652 S\n",
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{
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