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{
"id": "mp-1214449",
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"structure_string": "Ba4 Fe4 P4 O16 F8\n1.0\n12.977592 0.000000 0.000000\n0.000000 5.289079 0.000000\n0.000000 3.768599 7.123452\nBa Fe P O F\n4 4 4 16 8\ndirect\n0.700985 0.350641 0.185727 Ba\n0.299015 0.649359 0.814273 Ba\n0.200985 0.649359 0.314273 Ba\n0.799015 0.350641 0.685727 Ba\n0.000000 0.500000 0.000000 Fe\n0.500000 0.500000 0.500000 Fe\n0.000000 0.000000 0.500000 Fe\n0.500000 0.000000 0.000000 Fe\n0.885781 0.872730 0.195439 P\n0.114219 0.127270 0.804561 P\n0.385781 0.127270 0.304561 P\n0.614219 0.872730 0.695439 P\n0.906836 0.731100 0.067979 O\n0.093164 0.268900 0.932021 O\n0.406836 0.268900 0.432021 O\n0.593164 0.731100 0.567979 O\n0.383738 0.793044 0.437233 O\n0.616262 0.206956 0.562767 O\n0.883738 0.206956 0.062767 O\n0.116262 0.793044 0.937233 O\n0.972291 0.800213 0.345359 O\n0.027709 0.199787 0.654641 O\n0.472291 0.199787 0.154641 O\n0.527709 0.800213 0.845359 O\n0.780037 0.778519 0.288113 O\n0.219963 0.221481 0.711887 O\n0.280037 0.221481 0.211887 O\n0.719963 0.778519 0.788113 O\n0.362076 0.832372 0.053526 F\n0.637924 0.167628 0.946474 F\n0.862076 0.167628 0.446474 F\n0.137924 0.832372 0.553526 F\n0.557052 0.682482 0.236381 F\n0.442948 0.317518 0.763619 F\n0.057052 0.317518 0.263619 F\n0.942948 0.682482 0.736381 F\n",
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{
"id": "mp-757917",
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"structure_string": "Be6 Ga12 O24\n1.0\n3.914845 -6.780710 0.000000\n3.914845 6.780710 0.000000\n0.000000 0.000000 9.020109\nBe Ga O\n6 12 24\ndirect\n0.890054 0.163909 0.578184 Be\n0.836091 0.726144 0.244850 Be\n0.273856 0.109946 0.911517 Be\n0.061805 0.560445 0.087007 Be\n0.498640 0.938195 0.420341 Be\n0.439555 0.501360 0.753674 Be\n0.924719 0.171882 0.914255 Ga\n0.893968 0.155102 0.259976 Ga\n0.828118 0.752838 0.580921 Ga\n0.844898 0.738865 0.926642 Ga\n0.261135 0.106032 0.593309 Ga\n0.247162 0.075281 0.247588 Ga\n0.079896 0.565123 0.752297 Ga\n0.075422 0.582449 0.406103 Ga\n0.485227 0.920104 0.085631 Ga\n0.507027 0.924578 0.739436 Ga\n0.434877 0.514773 0.418964 Ga\n0.417551 0.492973 0.072770 Ga\n0.975360 0.309442 0.429927 O\n0.972715 0.314425 0.089313 O\n0.946277 0.292289 0.733712 O\n0.690558 0.665918 0.096593 O\n0.707711 0.653988 0.400379 O\n0.685575 0.658290 0.755979 O\n0.977374 0.970730 0.248663 O\n0.029270 0.006644 0.915329 O\n0.993356 0.022626 0.581996 O\n0.992213 0.612643 0.929729 O\n0.993105 0.641073 0.231727 O\n0.009496 0.658456 0.585538 O\n0.346012 0.053723 0.067045 O\n0.341710 0.027285 0.422646 O\n0.334082 0.024640 0.763260 O\n0.305494 0.653880 0.085884 O\n0.348386 0.694506 0.419218 O\n0.346120 0.651614 0.752551 O\n0.647969 0.006895 0.565060 O\n0.620429 0.007787 0.263062 O\n0.648960 0.990504 0.918871 O\n0.387357 0.379571 0.596395 O\n0.341544 0.351040 0.252204 O\n0.358927 0.352031 0.898394 O\n",
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"formula_full": "Be6 Ga12 O24",
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"spacegroup": 145
},
{
"id": "mp-14428",
"created_at": "2022-09-04T14:48:15.972976Z",
"structure_string": "K8 Na32 Ga8 O32\n1.0\n6.038185 0.000000 0.000000\n0.000000 10.661542 0.000000\n0.000000 0.000000 18.919110\nK Na Ga O\n8 32 8 32\ndirect\n0.409734 0.342399 0.502353 K\n0.909734 0.657601 0.997647 K\n0.090266 0.842399 0.497647 K\n0.590266 0.157601 0.002353 K\n0.590266 0.657601 0.497647 K\n0.090266 0.342399 0.002353 K\n0.909734 0.157601 0.502353 K\n0.409734 0.842399 0.997647 K\n0.438959 0.929677 0.253083 Na\n0.938959 0.070323 0.246917 Na\n0.061041 0.429677 0.746917 Na\n0.561041 0.570323 0.753083 Na\n0.561041 0.070323 0.746917 Na\n0.061041 0.929677 0.753083 Na\n0.938959 0.570323 0.253083 Na\n0.438959 0.429677 0.246917 Na\n0.422541 0.676293 0.322441 Na\n0.577459 0.823707 0.822441 Na\n0.077459 0.176293 0.677559 Na\n0.077459 0.676293 0.822441 Na\n0.577459 0.323707 0.677559 Na\n0.422541 0.176293 0.177559 Na\n0.922541 0.823707 0.322441 Na\n0.610566 0.194748 0.353184 Na\n0.110566 0.805252 0.146816 Na\n0.889434 0.694748 0.646816 Na\n0.389434 0.805252 0.646816 Na\n0.889434 0.194748 0.853184 Na\n0.110566 0.305252 0.353184 Na\n0.610566 0.694748 0.146816 Na\n0.904295 0.445455 0.566727 Na\n0.404295 0.554545 0.933273 Na\n0.595705 0.945455 0.433273 Na\n0.095705 0.054545 0.066727 Na\n0.095705 0.554545 0.433273 Na\n0.595705 0.445455 0.066727 Na\n0.404295 0.054545 0.566727 Na\n0.904295 0.945455 0.933273 Na\n0.922541 0.323707 0.177559 Na\n0.389434 0.305252 0.853184 Na\n0.699792 0.462625 0.371868 Ga\n0.199792 0.537375 0.128132 Ga\n0.800208 0.962625 0.628132 Ga\n0.300208 0.037375 0.871868 Ga\n0.300208 0.537375 0.628132 Ga\n0.800208 0.462625 0.871868 Ga\n0.199792 0.037375 0.371868 Ga\n0.699792 0.962625 0.128132 Ga\n0.290889 0.129042 0.290467 O\n0.790889 0.870958 0.209533 O\n0.209111 0.629042 0.709533 O\n0.709111 0.370958 0.790467 O\n0.709111 0.870958 0.709533 O\n0.209111 0.129042 0.790467 O\n0.790889 0.370958 0.290467 O\n0.290889 0.629042 0.209533 O\n0.701689 0.632168 0.863998 O\n0.201689 0.367832 0.636002 O\n0.201689 0.867832 0.863998 O\n0.701689 0.132168 0.636002 O\n0.298311 0.367832 0.136002 O\n0.798311 0.632168 0.363998 O\n0.387703 0.464272 0.373988 O\n0.887703 0.535728 0.126012 O\n0.112297 0.964272 0.626012 O\n0.612297 0.035728 0.873988 O\n0.612297 0.535728 0.626012 O\n0.112297 0.464272 0.873988 O\n0.798311 0.132168 0.136002 O\n0.887703 0.035728 0.373988 O\n0.387703 0.964272 0.126012 O\n0.334001 0.614217 0.049297 O\n0.834001 0.385783 0.450703 O\n0.165999 0.114217 0.950703 O\n0.665999 0.885783 0.549297 O\n0.665999 0.385783 0.950703 O\n0.165999 0.614217 0.549297 O\n0.834001 0.885783 0.049297 O\n0.334001 0.114217 0.450703 O\n0.298311 0.867832 0.363998 O\n",
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"O"
],
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"volume": 1217.9434926425752,
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"formula_full": "K8 Na32 Ga8 O32",
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{
"id": "mp-1198462",
"created_at": "2022-09-04T14:48:18.403381Z",
"structure_string": "K4 Na4 Nb4 O4 F20\n1.0\n5.990620 0.000000 0.000000\n0.000000 8.290561 0.000000\n0.000000 0.000000 12.101585\nK Na Nb O F\n4 4 4 4 20\ndirect\n0.031901 0.299226 0.038767 K\n0.968099 0.799226 0.961233 K\n0.468099 0.299226 0.538767 K\n0.531901 0.799226 0.461233 K\n0.048346 0.046402 0.361764 Na\n0.951654 0.546402 0.638236 Na\n0.451654 0.046402 0.861764 Na\n0.548346 0.546402 0.138236 Na\n0.540774 0.039055 0.151727 Nb\n0.459226 0.539055 0.848273 Nb\n0.959226 0.039055 0.651727 Nb\n0.040774 0.539055 0.348273 Nb\n0.401059 0.999523 0.278228 O\n0.598941 0.499523 0.721772 O\n0.098941 0.999523 0.778228 O\n0.901059 0.499523 0.221772 O\n0.285055 0.003617 0.047238 F\n0.714945 0.503617 0.952762 F\n0.214945 0.003617 0.547238 F\n0.785055 0.503617 0.452762 F\n0.464353 0.271868 0.139378 F\n0.535647 0.771868 0.860622 F\n0.035647 0.271868 0.639378 F\n0.964353 0.771868 0.360622 F\n0.335511 0.601994 0.288383 F\n0.664489 0.101994 0.711617 F\n0.164489 0.601994 0.788383 F\n0.835511 0.101994 0.211617 F\n0.148141 0.315233 0.372662 F\n0.851859 0.815233 0.627338 F\n0.351859 0.315233 0.872662 F\n0.648141 0.815233 0.127338 F\n0.282716 0.575731 0.003147 F\n0.717284 0.075731 0.996853 F\n0.217284 0.575731 0.503147 F\n0.782716 0.075731 0.496853 F\n",
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{
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"structure_string": "Ba3 B3 As3 O15\n1.0\n3.720060 -6.443334 0.000000\n3.720060 6.443334 0.000000\n0.000000 0.000000 7.201502\nBa B As O\n3 3 3 15\ndirect\n0.389744 0.389744 0.500000 Ba\n0.000000 0.610256 0.166667 Ba\n0.610256 0.000000 0.833333 Ba\n0.904497 0.904497 0.500000 B\n0.000000 0.095503 0.166667 B\n0.095503 0.000000 0.833333 B\n0.606474 0.000000 0.333333 As\n0.393526 0.393526 0.000000 As\n0.000000 0.606474 0.666667 As\n0.973948 0.973948 0.000000 O\n0.026052 0.000000 0.333333 O\n0.000000 0.026052 0.666667 O\n0.567308 0.150955 0.482758 O\n0.583647 0.432692 0.149425 O\n0.849045 0.416353 0.816091 O\n0.144084 0.822653 0.812443 O\n0.177347 0.321431 0.145777 O\n0.678569 0.855916 0.479110 O\n0.150955 0.567308 0.517242 O\n0.432692 0.583647 0.850575 O\n0.416353 0.849045 0.183909 O\n0.855916 0.678569 0.520890 O\n0.321431 0.177347 0.854223 O\n0.822653 0.144084 0.187557 O\n",
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{
"id": "mp-779552",
"created_at": "2022-09-04T14:48:23.728404Z",
"structure_string": "Zn8 Te16 O40\n1.0\n8.653339 0.000000 0.000000\n0.000000 9.112506 0.000000\n0.000000 0.000000 12.359378\nZn Te O\n8 16 40\ndirect\n0.518365 0.014786 0.123010 Zn\n0.518365 0.014786 0.376990 Zn\n0.018365 0.485214 0.623010 Zn\n0.018365 0.485214 0.876990 Zn\n0.981635 0.514786 0.123010 Zn\n0.981635 0.514786 0.376990 Zn\n0.481635 0.985214 0.876990 Zn\n0.481635 0.985214 0.623010 Zn\n0.198569 0.104756 0.250000 Te\n0.838554 0.149468 0.514648 Te\n0.838554 0.149468 0.985352 Te\n0.182222 0.166684 0.750000 Te\n0.682222 0.333316 0.250000 Te\n0.338554 0.350532 0.014648 Te\n0.338554 0.350532 0.485352 Te\n0.698569 0.395244 0.750000 Te\n0.301431 0.604756 0.250000 Te\n0.661446 0.649468 0.514648 Te\n0.661446 0.649468 0.985352 Te\n0.317778 0.666684 0.750000 Te\n0.817778 0.833316 0.250000 Te\n0.161446 0.850532 0.014648 Te\n0.161446 0.850532 0.485352 Te\n0.801431 0.895244 0.750000 Te\n0.906676 0.008327 0.627733 O\n0.906676 0.008327 0.872267 O\n0.633481 0.031483 0.750000 O\n0.620407 0.118038 0.512231 O\n0.620407 0.118038 0.987769 O\n0.657984 0.123661 0.250000 O\n0.322291 0.156138 0.630548 O\n0.322291 0.156138 0.869452 O\n0.349709 0.191461 0.114182 O\n0.349709 0.191461 0.385818 O\n0.849709 0.308539 0.614182 O\n0.849709 0.308539 0.885818 O\n0.822291 0.343862 0.130548 O\n0.822291 0.343862 0.369452 O\n0.157984 0.376339 0.750000 O\n0.120407 0.381962 0.012231 O\n0.120407 0.381962 0.487769 O\n0.133481 0.468517 0.250000 O\n0.406676 0.491673 0.372267 O\n0.406676 0.491673 0.127733 O\n0.593324 0.508327 0.872267 O\n0.593324 0.508327 0.627733 O\n0.866519 0.531483 0.750000 O\n0.879593 0.618038 0.512231 O\n0.879593 0.618038 0.987769 O\n0.842016 0.623661 0.250000 O\n0.177709 0.656138 0.869452 O\n0.177709 0.656138 0.630548 O\n0.150291 0.691461 0.114182 O\n0.150291 0.691461 0.385818 O\n0.650291 0.808539 0.885818 O\n0.650291 0.808539 0.614182 O\n0.677709 0.843862 0.130548 O\n0.677709 0.843862 0.369452 O\n0.342016 0.876339 0.750000 O\n0.379593 0.881962 0.012231 O\n0.379593 0.881962 0.487769 O\n0.366519 0.968517 0.250000 O\n0.093324 0.991673 0.127733 O\n0.093324 0.991673 0.372267 O\n",
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{
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