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{
"id": "mp-676628",
"created_at": "2022-09-04T14:39:19.982042Z",
"structure_string": "K1 V15 S24\n1.0\n8.965668 0.000000 0.000000\n1.463538 9.369169 0.000000\n2.667516 4.368962 8.332863\nK V S\n1 15 24\ndirect\n0.000000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 V\n0.266742 0.277862 0.292674 V\n0.847193 0.019500 0.446363 V\n0.587907 0.468935 0.183626 V\n0.650312 0.264240 0.682493 V\n0.152807 0.980500 0.553637 V\n0.768302 0.280458 0.013891 V\n0.733258 0.722138 0.707326 V\n0.412093 0.531065 0.816374 V\n0.247174 0.193883 0.055421 V\n0.959472 0.131997 0.704720 V\n0.040528 0.868003 0.295280 V\n0.752826 0.806117 0.944579 V\n0.231698 0.719542 0.986109 V\n0.349688 0.735760 0.317507 V\n0.247907 0.183106 0.571005 S\n0.258795 0.926950 0.061741 S\n0.003142 0.782925 0.574329 S\n0.356782 0.608769 0.563553 S\n0.652089 0.183774 0.293515 S\n0.016434 0.277244 0.822909 S\n0.708634 0.000604 0.692095 S\n0.347911 0.816226 0.706485 S\n0.643218 0.391231 0.436447 S\n0.824216 0.539494 0.975280 S\n0.396444 0.273733 0.806213 S\n0.741205 0.073050 0.938259 S\n0.693151 0.462245 0.748291 S\n0.974432 0.137170 0.162137 S\n0.487717 0.329600 0.061308 S\n0.512283 0.670400 0.938692 S\n0.025568 0.862830 0.837863 S\n0.752093 0.816894 0.428995 S\n0.306849 0.537755 0.251709 S\n0.603556 0.726267 0.193787 S\n0.175784 0.460506 0.024720 S\n0.291366 0.999396 0.307905 S\n0.983566 0.722756 0.177091 S\n0.996858 0.217075 0.425671 S\n",
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},
{
"id": "mp-1977502",
"created_at": "2022-09-04T14:46:41.712473Z",
"structure_string": "Li8 Co10 Sn2 O24\n1.0\n2.492619 4.328855 -0.398912\n4.689629 -0.707665 9.723279\n7.654259 -4.405412 0.001265\nLi Co Sn O\n8 10 2 24\ndirect\n0.044443 0.743692 0.461198 Li\n0.539795 0.746452 0.959946 Li\n0.456124 0.256347 0.705401 Li\n0.958903 0.253467 0.205793 Li\n0.540794 0.746535 0.294483 Li\n0.043790 0.743662 0.795089 Li\n0.959739 0.253557 0.540562 Li\n0.455639 0.256351 0.039232 Li\n0.750062 0.499957 0.250148 Co\n0.249920 0.500081 0.750102 Co\n0.250152 0.500014 0.410832 Co\n0.749934 0.499938 0.914100 Co\n0.750153 0.500043 0.586169 Co\n0.249999 0.499924 0.089465 Co\n0.499465 0.000511 0.166326 Co\n0.000458 0.999469 0.666864 Co\n0.499473 0.000501 0.832653 Co\n0.000480 0.999467 0.333194 Co\n0.999299 0.000312 0.999683 Sn\n0.500892 0.999682 0.499972 Sn\n0.915154 0.609007 0.695541 O\n0.403590 0.599833 0.200127 O\n0.584986 0.391177 0.804633 O\n0.096588 0.400101 0.300157 O\n0.336510 0.108381 0.945570 O\n0.838716 0.107518 0.445986 O\n0.661254 0.892500 0.053539 O\n0.163424 0.891647 0.553949 O\n0.302880 0.107264 0.623993 O\n0.803172 0.107996 0.124566 O\n0.197085 0.892743 0.231303 O\n0.696763 0.892037 0.732598 O\n0.803159 0.107993 0.766915 O\n0.302890 0.107280 0.268215 O\n0.696772 0.892029 0.374977 O\n0.197052 0.892744 0.875584 O\n0.107071 0.395044 0.617113 O\n0.588210 0.396991 0.137880 O\n0.588536 0.397193 0.465237 O\n0.106803 0.395008 0.988209 O\n0.393297 0.605009 0.512000 O\n0.911607 0.602709 0.035043 O\n0.911942 0.602878 0.362440 O\n0.393021 0.604958 0.883217 O\n",
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"elements": [
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"Co",
"Sn",
"O"
],
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"volume": 434.9970525893896,
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"formula_full": "Li8 Co10 Sn2 O24",
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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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"Mn",
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],
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"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-1193469",
"created_at": "2022-09-04T14:40:36.299540Z",
"structure_string": "Ce2 Co18 Si8\n1.0\n-3.866102 3.866102 5.729258\n3.866102 -3.866102 5.729258\n3.866102 3.866102 -5.729258\nCe Co Si\n2 18 8\ndirect\n0.750000 0.750000 0.000000 Ce\n0.250000 0.250000 0.000000 Ce\n0.069303 0.199791 0.269094 Co\n0.930697 0.800209 0.730906 Co\n0.569303 0.300209 0.869512 Co\n0.430697 0.699791 0.130488 Co\n0.800209 0.069303 0.869512 Co\n0.199791 0.930697 0.130488 Co\n0.699791 0.569303 0.269094 Co\n0.300209 0.430697 0.730906 Co\n0.448904 0.948904 0.759250 Co\n0.189654 0.689654 0.240750 Co\n0.948904 0.189654 0.500000 Co\n0.689654 0.448904 0.500000 Co\n0.551096 0.051096 0.240750 Co\n0.810346 0.310346 0.759250 Co\n0.051096 0.810346 0.500000 Co\n0.310346 0.551096 0.500000 Co\n0.000000 0.500000 0.500000 Co\n0.500000 0.000000 0.500000 Co\n0.048648 0.548648 0.839296 Si\n0.709352 0.209352 0.160704 Si\n0.548648 0.709352 0.500000 Si\n0.209352 0.048648 0.500000 Si\n0.951352 0.451352 0.160704 Si\n0.290648 0.790648 0.839296 Si\n0.451352 0.290648 0.500000 Si\n0.790648 0.951352 0.500000 Si\n",
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{
"id": "mp-662563",
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"structure_string": "Cs2 Fe4 Se6\n1.0\n4.928049 -6.183642 0.000000\n4.928049 6.183642 0.000000\n0.000000 0.000000 5.468751\nCs Fe Se\n2 4 6\ndirect\n0.335410 0.664590 0.750000 Cs\n0.664590 0.335410 0.250000 Cs\n0.128388 0.128388 0.000000 Fe\n0.128388 0.128388 0.500000 Fe\n0.871612 0.871612 0.000000 Fe\n0.871612 0.871612 0.500000 Fe\n0.873565 0.126435 0.750000 Se\n0.126435 0.873565 0.250000 Se\n0.372821 0.158580 0.750000 Se\n0.158580 0.372821 0.250000 Se\n0.627179 0.841420 0.250000 Se\n0.841420 0.627179 0.750000 Se\n",
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"formula_full": "Cs2 Fe4 Se6",
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{
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