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{
"id": "mp-755974",
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{
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"structure_string": "Li6 V6 P16 O58\n1.0\n-9.733095 0.000000 0.000000\n4.851583 8.478477 0.000000\n-0.046680 -0.219064 -14.225047\nLi V P O\n6 6 16 58\ndirect\n0.684562 0.906960 0.553665 Li\n0.095583 0.329162 0.058144 Li\n0.230075 0.309645 0.562402 Li\n0.902738 0.670125 0.943551 Li\n0.911648 0.224926 0.441035 Li\n0.997643 0.002376 0.007388 Li\n0.563168 0.567354 0.250402 V\n0.441147 0.433194 0.754025 V\n0.002810 0.570572 0.743855 V\n0.001495 0.440571 0.250484 V\n0.432121 0.998423 0.244607 V\n0.560100 0.001574 0.757917 V\n0.216049 0.918050 0.842251 P\n0.089596 0.779956 0.341217 P\n0.683517 0.915020 0.339025 P\n0.331338 0.661802 0.131469 P\n0.338512 0.664020 0.631812 P\n0.694482 0.778564 0.840295 P\n0.769939 0.685248 0.655677 P\n0.089153 0.318879 0.840345 P\n0.910620 0.687972 0.159904 P\n0.229870 0.319897 0.345846 P\n0.304310 0.221768 0.162767 P\n0.665593 0.331881 0.366319 P\n0.674095 0.339543 0.869162 P\n0.311940 0.082549 0.656821 P\n0.906936 0.226066 0.660776 P\n0.782093 0.085463 0.157296 P\n0.240018 0.001370 0.567974 O\n0.261464 0.919034 0.330205 O\n0.978480 0.762635 0.068291 O\n0.081203 0.741729 0.833441 O\n0.379178 0.920009 0.831336 O\n0.327726 0.809511 0.172806 O\n0.523461 0.906543 0.319722 O\n0.813446 0.009537 0.075686 O\n0.652090 0.911608 0.833914 O\n0.184548 0.659142 0.677106 O\n0.096257 0.623390 0.318780 O\n0.482397 0.815641 0.675505 O\n0.322533 0.645741 0.027560 O\n0.332519 0.658847 0.527787 O\n0.481230 0.667742 0.177024 O\n0.086281 0.473554 0.824668 O\n0.183747 0.508678 0.174028 O\n0.657779 0.745708 0.333677 O\n0.793683 0.796971 0.746172 O\n0.760584 0.763993 0.570367 O\n0.794011 0.791348 0.922531 O\n0.537700 0.617260 0.829374 O\n0.338176 0.516113 0.673404 O\n0.738166 0.653469 0.171473 O\n0.380038 0.479095 0.323580 O\n0.081028 0.340793 0.337737 O\n0.005365 0.799722 0.246865 O\n0.001959 0.767406 0.427303 O\n0.997762 0.239722 0.572631 O\n0.912815 0.655774 0.664307 O\n0.618732 0.524784 0.676348 O\n0.261078 0.350054 0.827706 O\n0.656417 0.473424 0.322604 O\n0.459610 0.382627 0.170567 O\n0.196251 0.204482 0.083780 O\n0.235674 0.253272 0.437388 O\n0.211717 0.201988 0.261059 O\n0.341737 0.255531 0.665043 O\n0.818772 0.491891 0.829083 O\n0.910621 0.529739 0.174734 O\n0.521518 0.331348 0.822634 O\n0.671318 0.343725 0.973103 O\n0.669154 0.326130 0.470086 O\n0.526269 0.182272 0.316939 O\n0.897508 0.378832 0.678534 O\n0.819968 0.335678 0.324948 O\n0.344691 0.086816 0.164192 O\n0.202247 0.998206 0.747769 O\n0.194927 0.992828 0.927619 O\n0.472463 0.089088 0.682856 O\n0.675580 0.189797 0.825480 O\n0.617841 0.074419 0.165744 O\n0.916336 0.262834 0.164342 O\n0.021078 0.239125 0.930524 O\n0.995443 0.206387 0.750834 O\n0.739934 0.079534 0.661022 O\n0.756781 0.999710 0.430003 O\n0.801267 0.010959 0.255244 O\n",
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"formula_full": "Li6 V6 P16 O58",
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},
{
"id": "mp-1094501",
"created_at": "2022-09-04T14:41:27.428188Z",
"structure_string": "Mg2 Ti2\n1.0\n1.494797 5.248210 0.000000\n-1.494797 5.248210 0.000000\n0.000000 2.144639 4.874939\nMg Ti\n2 2\ndirect\n0.623434 0.623434 0.047137 Mg\n0.376566 0.376566 0.952863 Mg\n0.867347 0.867347 0.456956 Ti\n0.132653 0.132653 0.543044 Ti\n",
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},
{
"id": "mp-755554",
"created_at": "2022-09-04T14:41:27.435153Z",
"structure_string": "Li2 Fe2 F8\n1.0\n5.687286 0.000000 0.000000\n0.000000 4.708951 0.000000\n0.000000 0.220913 5.065736\nLi Fe F\n2 2 8\ndirect\n0.358292 0.500000 0.750000 Li\n0.641708 0.500000 0.250000 Li\n0.834534 0.000000 0.750000 Fe\n0.165466 0.000000 0.250000 Fe\n0.108841 0.780906 0.930680 F\n0.891159 0.780906 0.430680 F\n0.623590 0.738014 0.910454 F\n0.376410 0.738014 0.410454 F\n0.623590 0.261986 0.589546 F\n0.376410 0.261986 0.089546 F\n0.108841 0.219094 0.569320 F\n0.891159 0.219094 0.069320 F\n",
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"formula_full": "Li2 Fe2 F8",
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{
"id": "mp-1205823",
"created_at": "2022-09-04T14:41:27.435214Z",
"structure_string": "Ba2 Sc1 Ta1 O6\n1.0\n0.000000 4.157430 4.157430\n4.157430 0.000000 4.157430\n4.157430 4.157430 0.000000\nBa Sc Ta O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Ba\n0.500000 0.500000 0.500000 Sc\n0.000000 0.000000 0.000000 Ta\n0.757434 0.242566 0.242566 O\n0.242566 0.757434 0.757434 O\n0.242566 0.757434 0.242566 O\n0.757434 0.242566 0.757434 O\n0.242566 0.242566 0.757434 O\n0.757434 0.757434 0.242566 O\n",
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{
"id": "mp-1211463",
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"structure_string": "K4 V4 Mo4 O24\n1.0\n3.765198 0.000000 0.000000\n0.000000 10.640354 0.000000\n0.000000 0.000000 13.791473\nK V Mo O\n4 4 4 24\ndirect\n0.250000 0.615296 0.862139 K\n0.750000 0.384704 0.137861 K\n0.750000 0.884704 0.362139 K\n0.250000 0.115296 0.637861 K\n0.250000 0.014107 0.108056 V\n0.750000 0.985893 0.891944 V\n0.750000 0.485893 0.608056 V\n0.250000 0.514107 0.391944 V\n0.250000 0.733959 0.576876 Mo\n0.750000 0.266041 0.423124 Mo\n0.750000 0.766041 0.076876 Mo\n0.250000 0.233959 0.923124 Mo\n0.250000 0.171918 0.086590 O\n0.750000 0.828082 0.913410 O\n0.750000 0.328082 0.586590 O\n0.250000 0.671918 0.413410 O\n0.250000 0.884058 0.524244 O\n0.750000 0.115942 0.475756 O\n0.750000 0.615942 0.024244 O\n0.250000 0.384058 0.975756 O\n0.250000 0.993423 0.226462 O\n0.750000 0.006577 0.773538 O\n0.750000 0.506577 0.726462 O\n0.250000 0.493423 0.273538 O\n0.250000 0.763903 0.700457 O\n0.750000 0.236097 0.299543 O\n0.750000 0.736097 0.200457 O\n0.250000 0.263903 0.799543 O\n0.250000 0.527082 0.576047 O\n0.750000 0.472918 0.423953 O\n0.750000 0.972918 0.076047 O\n0.250000 0.027082 0.923953 O\n0.250000 0.817349 0.064715 O\n0.750000 0.182651 0.935285 O\n0.750000 0.682651 0.564715 O\n0.250000 0.317349 0.435285 O\n",
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{
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"structure_string": "Ba2 Y2 Mn4 O11\n1.0\n3.855498 -0.002489 0.002023\n-0.005996 8.193285 -0.056319\n0.000556 4.045238 7.736214\nBa Y Mn O\n2 2 4 11\ndirect\n0.500000 0.500000 0.500000 Ba\n0.500000 0.000000 0.500000 Ba\n0.504710 0.718843 0.008751 Y\n0.495290 0.281157 0.991249 Y\n0.003867 0.881838 0.227439 Mn\n0.996133 0.118162 0.772561 Mn\n0.998825 0.629433 0.751328 Mn\n0.001175 0.370567 0.248672 Mn\n0.498940 0.618041 0.776244 O\n0.501060 0.381959 0.223756 O\n0.001470 0.656511 0.207867 O\n0.998530 0.343489 0.792133 O\n0.007997 0.133690 0.188489 O\n0.992003 0.866310 0.811511 O\n0.000561 0.754021 0.502264 O\n0.999439 0.245979 0.497736 O\n0.000000 0.500000 0.000000 O\n0.504004 0.897140 0.177691 O\n0.495996 0.102860 0.822309 O\n",
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{
"id": "mp-1208082",
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"structure_string": "V4 As8 Pb8 O36\n1.0\n16.704744 0.000000 0.000000\n0.000000 7.094378 0.000000\n0.000000 3.200253 6.619456\nV As Pb O\n4 8 8 36\ndirect\n0.255207 0.749974 0.776715 V\n0.744793 0.250026 0.223285 V\n0.755207 0.250026 0.723285 V\n0.244793 0.749974 0.276715 V\n0.420129 0.746753 0.502448 As\n0.579871 0.253247 0.497552 As\n0.920129 0.253247 0.997552 As\n0.079871 0.746753 0.002448 As\n0.163232 0.249925 0.505636 As\n0.836768 0.750075 0.494364 As\n0.663232 0.750075 0.994364 As\n0.336768 0.249925 0.005636 As\n0.036306 0.744460 0.514173 Pb\n0.963694 0.255540 0.485827 Pb\n0.536306 0.255540 0.985827 Pb\n0.463694 0.744460 0.014173 Pb\n0.379656 0.247366 0.512173 Pb\n0.620344 0.752634 0.487827 Pb\n0.879656 0.752634 0.987827 Pb\n0.120344 0.247366 0.012173 Pb\n0.276886 0.446676 0.834123 O\n0.723114 0.553324 0.165877 O\n0.776886 0.553324 0.665877 O\n0.223114 0.446676 0.334123 O\n0.898618 0.862695 0.608286 O\n0.101382 0.137305 0.391714 O\n0.398618 0.137305 0.891714 O\n0.601382 0.862695 0.108286 O\n0.017827 0.930394 0.832738 O\n0.982173 0.069606 0.167262 O\n0.517827 0.069606 0.667262 O\n0.482173 0.930394 0.332738 O\n0.099245 0.351030 0.625077 O\n0.900755 0.648970 0.374923 O\n0.599245 0.648970 0.874923 O\n0.400755 0.351030 0.125077 O\n0.476825 0.548387 0.671643 O\n0.523175 0.451613 0.328357 O\n0.976825 0.451613 0.828357 O\n0.023175 0.548387 0.171643 O\n0.730493 0.935119 0.836939 O\n0.269507 0.064881 0.163061 O\n0.230493 0.064881 0.663061 O\n0.769507 0.935119 0.336939 O\n0.284284 0.744682 0.001313 O\n0.715716 0.255318 0.998687 O\n0.784284 0.255318 0.498687 O\n0.215716 0.744682 0.501313 O\n0.361174 0.850990 0.632287 O\n0.638826 0.149010 0.367713 O\n0.861174 0.149010 0.867713 O\n0.138826 0.850990 0.132287 O\n0.141376 0.657566 0.863558 O\n0.858624 0.342434 0.136442 O\n0.641376 0.342434 0.636442 O\n0.358624 0.657566 0.363558 O\n",
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{
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{
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"formula_full": "Na4 Fe4 As4",
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{
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"created_at": "2022-09-04T14:41:27.465189Z",
"structure_string": "Pb4 W4 O8\n1.0\n-3.266944 3.266944 6.397040\n3.266944 -3.266944 6.397040\n3.266944 3.266944 -6.397040\nPb W O\n4 4 8\ndirect\n0.875000 0.625000 0.250000 Pb\n0.375000 0.625000 0.750000 Pb\n0.375000 0.625000 0.250000 Pb\n0.375000 0.125000 0.750000 Pb\n0.375000 0.125000 0.250000 W\n0.875000 0.125000 0.750000 W\n0.875000 0.125000 0.250000 W\n0.875000 0.625000 0.750000 W\n0.175565 0.375175 0.199610 O\n0.175565 0.975955 0.800390 O\n0.125175 0.425565 0.699610 O\n0.574435 0.874825 0.300390 O\n0.725955 0.425565 0.300390 O\n0.574435 0.274045 0.699610 O\n0.624825 0.824435 0.800390 O\n0.024045 0.824435 0.199610 O\n",
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"formula_full": "Pb4 W4 O8",
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{
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"structure_string": "Ba1 F3\n1.0\n-2.115931 2.115931 3.607770\n2.115931 -2.115931 3.607770\n2.115931 2.115931 -3.607770\nBa F\n1 3\ndirect\n0.000000 0.000000 0.000000 Ba\n0.750000 0.250000 0.500000 F\n0.250000 0.750000 0.500000 F\n0.500000 0.500000 0.000000 F\n",
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}