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{
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{
"id": "mp-1521883",
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"structure_string": "Ba1 Gd1 Nb1 Sn1 O6\n1.0\n0.000000 -4.280355 -4.280355\n4.280355 0.000000 -4.280355\n4.280355 -4.280355 0.000000\nBa Gd Nb Sn O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ba\n0.000000 0.000000 0.000000 Gd\n0.500000 0.500000 0.500000 Nb\n0.750000 0.750000 0.750000 Sn\n0.735372 0.264628 0.264628 O\n0.264628 0.735372 0.735372 O\n0.735372 0.264628 0.735372 O\n0.264628 0.735372 0.264628 O\n0.735372 0.735372 0.264628 O\n0.264628 0.264628 0.735372 O\n",
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{
"id": "mp-6757",
"created_at": "2022-09-04T14:47:58.541958Z",
"structure_string": "Ho16 Si8 S12 O28\n1.0\n-5.849668 5.849668 6.813304\n5.849668 -5.849668 6.813304\n5.849668 5.849668 -6.813304\nHo Si S O\n16 8 12 28\ndirect\n0.422315 0.922315 0.844630 Ho\n0.672315 0.327685 0.000000 Ho\n0.327685 0.672315 0.000000 Ho\n0.077685 0.577685 0.155370 Ho\n0.327685 0.327685 0.655370 Ho\n0.077685 0.922315 0.500000 Ho\n0.422315 0.577685 0.500000 Ho\n0.672315 0.672315 0.344630 Ho\n0.716317 0.980766 0.264449 Ho\n0.716317 0.451867 0.735551 Ho\n0.019234 0.283683 0.735551 Ho\n0.201867 0.966317 0.235551 Ho\n0.730766 0.966317 0.764449 Ho\n0.033683 0.798133 0.764449 Ho\n0.033683 0.269234 0.235551 Ho\n0.548133 0.283683 0.264449 Ho\n0.470730 0.845621 0.374891 Si\n0.470730 0.095839 0.625109 Si\n0.154379 0.529270 0.625109 Si\n0.845839 0.720730 0.125109 Si\n0.595621 0.720730 0.874891 Si\n0.279270 0.154161 0.874891 Si\n0.279270 0.404379 0.125109 Si\n0.904161 0.529270 0.374891 Si\n0.375000 0.979083 0.104083 S\n0.729083 0.125000 0.104083 S\n0.020917 0.625000 0.895917 S\n0.875000 0.270917 0.895917 S\n0.375000 0.270917 0.395917 S\n0.020917 0.125000 0.395917 S\n0.729083 0.625000 0.604083 S\n0.875000 0.979083 0.604083 S\n0.000000 0.000000 0.000000 S\n0.750000 0.250000 0.500000 S\n0.250000 0.750000 0.500000 S\n0.500000 0.500000 0.000000 S\n0.549008 0.815868 0.266860 O\n0.549008 0.282147 0.733140 O\n0.184132 0.450992 0.733140 O\n0.032147 0.799008 0.233140 O\n0.565868 0.799008 0.766860 O\n0.200992 0.967853 0.766860 O\n0.200992 0.434132 0.233140 O\n0.717853 0.450992 0.266860 O\n0.524567 0.024567 0.500000 O\n0.774567 0.774567 0.000000 O\n0.225433 0.225433 0.000000 O\n0.975433 0.475433 0.500000 O\n0.209765 0.474986 0.017422 O\n0.457564 0.192343 0.982578 O\n0.525014 0.790235 0.982578 O\n0.942343 0.459765 0.234779 O\n0.224986 0.707564 0.765221 O\n0.540235 0.057657 0.765221 O\n0.292436 0.775014 0.234779 O\n0.807657 0.542436 0.017422 O\n0.540235 0.775014 0.482578 O\n0.292436 0.057657 0.517422 O\n0.224986 0.459765 0.517422 O\n0.807657 0.790235 0.265221 O\n0.525014 0.542436 0.734779 O\n0.209765 0.192343 0.734779 O\n0.457564 0.474986 0.265221 O\n0.942343 0.707564 0.482578 O\n",
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"elements": [
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"density": 6.5817277260555365,
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"volume": 932.5673251717282,
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"formula_full": "Ho16 Si8 S12 O28",
"formula_reduced": "Ho4Si2S3O7",
"formula_anonymous": "A2B3C4D7",
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"updated_at": "2021-11-28T01:38:24.257000Z",
"spacegroup": 141
},
{
"id": "mp-1312304",
"created_at": "2022-09-04T14:47:58.523697Z",
"structure_string": "Li10 Ni6 Sn4 O20\n1.0\n-1.049365 5.083314 -0.182140\n-6.965965 -2.989017 7.269269\n2.471364 2.516315 7.231485\nLi Ni Sn O\n10 6 4 20\ndirect\n0.995463 0.999731 0.499228 Li\n0.495370 0.499742 0.999278 Li\n0.588041 0.085574 0.321845 Li\n0.087860 0.585522 0.821923 Li\n0.396285 0.906543 0.683265 Li\n0.896083 0.406424 0.183275 Li\n0.697470 0.192976 0.609545 Li\n0.197614 0.692924 0.109428 Li\n0.319200 0.816258 0.385540 Li\n0.819042 0.316255 0.885465 Li\n0.996307 0.498416 0.500190 Ni\n0.599884 0.599587 0.299653 Ni\n0.401108 0.400100 0.701339 Ni\n0.495755 0.998344 0.000570 Ni\n0.099588 0.099507 0.799678 Ni\n0.900900 0.899981 0.201093 Ni\n0.306372 0.298415 0.404568 Sn\n0.806327 0.798441 0.904414 Sn\n0.694732 0.702703 0.598667 Sn\n0.194486 0.202602 0.098741 Sn\n0.646000 0.401794 0.452515 O\n0.145920 0.901806 0.952421 O\n0.370488 0.597466 0.529270 O\n0.870239 0.097424 0.029328 O\n0.059513 0.303100 0.642679 O\n0.559488 0.803058 0.142689 O\n0.920186 0.692959 0.351641 O\n0.419839 0.192893 0.851791 O\n0.964326 0.203847 0.343390 O\n0.464396 0.703823 0.843299 O\n0.035576 0.793910 0.659892 O\n0.535465 0.293842 0.159944 O\n0.251932 0.005995 0.233936 O\n0.752261 0.506037 0.733658 O\n0.770604 0.001960 0.766305 O\n0.271135 0.502016 0.266081 O\n0.330342 0.103585 0.570096 O\n0.830510 0.603651 0.070080 O\n0.657034 0.895387 0.446576 O\n0.156857 0.395403 0.946702 O\n",
"nsites": 40,
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"elements": [
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],
"chemical_system": "Li-Ni-O-Sn",
"density": 5.164419998946585,
"density_atomic": 0.10227196677721108,
"volume": 391.1140194178124,
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"formula_full": "Li10 Ni6 Sn4 O20",
"formula_reduced": "Li5Ni3(SnO5)2",
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"updated_at": "2021-11-28T01:38:25.343000Z",
"spacegroup": 1
},
{
"id": "mp-754935",
"created_at": "2022-09-04T14:47:58.593352Z",
"structure_string": "Li2 V3 Cr1 O8\n1.0\n2.015807 6.104086 0.000000\n-2.015807 6.104086 0.000000\n0.000000 1.927835 6.201747\nLi V Cr O\n2 3 1 8\ndirect\n0.942494 0.942494 0.350849 Li\n0.055838 0.055838 0.646902 Li\n0.610673 0.610673 0.280350 V\n0.390885 0.390885 0.718664 V\n0.711261 0.711261 0.690182 V\n0.288130 0.288130 0.309798 Cr\n0.881434 0.881434 0.678676 O\n0.767383 0.767383 0.345825 O\n0.649099 0.649099 0.007471 O\n0.559253 0.559253 0.640129 O\n0.440546 0.440546 0.365964 O\n0.350390 0.350390 0.993841 O\n0.232070 0.232070 0.649712 O\n0.120544 0.120544 0.321642 O\n",
"nsites": 14,
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"elements": [
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],
"chemical_system": "Cr-Li-O-V",
"density": 3.772129115152009,
"density_atomic": 0.0917306354579287,
"volume": 152.62076764333497,
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"formula_full": "Li2 V3 Cr1 O8",
"formula_reduced": "Li2V3CrO8",
"formula_anonymous": "AB2C3D8",
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{
"id": "mp-1247670",
"created_at": "2022-09-04T14:47:58.611319Z",
"structure_string": "Sr3 Ca5 Mn8 O22\n1.0\n7.721017 0.003251 0.000000\n0.003252 7.714620 0.000000\n0.000000 0.000000 7.725498\nSr Ca Mn O\n3 5 8 22\ndirect\n0.250000 0.250000 0.250000 Sr\n0.250000 0.250000 0.750000 Sr\n0.750000 0.250000 0.250000 Sr\n0.250000 0.750000 0.250000 Ca\n0.250000 0.750000 0.750000 Ca\n0.750000 0.250000 0.750000 Ca\n0.750000 0.750000 0.250000 Ca\n0.750000 0.750000 0.750000 Ca\n0.999206 0.997759 0.990709 Mn\n0.999206 0.997759 0.509291 Mn\n0.999191 0.503089 0.006023 Mn\n0.999191 0.503089 0.493977 Mn\n0.500809 0.996911 0.006023 Mn\n0.500809 0.996911 0.493977 Mn\n0.500794 0.502241 0.990709 Mn\n0.500794 0.502241 0.509291 Mn\n0.996392 0.993280 0.750000 O\n0.999443 0.503446 0.250000 O\n0.996478 0.507280 0.750000 O\n0.500557 0.996554 0.250000 O\n0.503522 0.992720 0.750000 O\n0.503608 0.506720 0.750000 O\n0.244899 0.993211 0.018643 O\n0.244899 0.993211 0.481357 O\n0.255101 0.506789 0.018643 O\n0.255101 0.506789 0.481357 O\n0.754677 0.994239 0.017982 O\n0.754677 0.994239 0.482018 O\n0.745323 0.505761 0.017982 O\n0.745323 0.505761 0.482018 O\n0.998103 0.245579 0.012889 O\n0.998103 0.245579 0.487111 O\n0.999369 0.755423 0.024133 O\n0.999369 0.755423 0.475867 O\n0.501897 0.254421 0.012889 O\n0.501897 0.254421 0.487111 O\n0.500631 0.744577 0.024133 O\n0.500631 0.744577 0.475867 O\n",
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"formula_full": "Sr3 Ca5 Mn8 O22",
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"spacegroup": 10
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{
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"structure_string": "H1 Br1\n1.0\n0.000000 4.038815 4.254400\n1.676888 0.000000 4.254400\n1.676888 4.038815 0.000000\nH Br\n1 1\ndirect\n0.000000 0.000000 0.000000 H\n0.500000 0.500000 0.500000 Br\n",
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{
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"structure_string": "Na6 Bi2 P8 O28\n1.0\n7.407196 0.000000 0.000000\n3.331296 9.060408 0.000000\n2.131329 0.892971 9.434673\nNa Bi P O\n6 2 8 28\ndirect\n0.354808 0.148597 0.273654 Na\n0.052445 0.500775 0.161740 Na\n0.442534 0.458599 0.331844 Na\n0.557466 0.541401 0.668156 Na\n0.947555 0.499225 0.838260 Na\n0.645192 0.851403 0.726346 Na\n0.880498 0.122289 0.781493 Bi\n0.119502 0.877711 0.218507 Bi\n0.184944 0.135419 0.974543 P\n0.728622 0.107706 0.451079 P\n0.413753 0.333757 0.944701 P\n0.902099 0.341532 0.452732 P\n0.097901 0.658468 0.547268 P\n0.586247 0.666243 0.055299 P\n0.271378 0.892294 0.548921 P\n0.815056 0.864581 0.025457 P\n0.178965 0.034945 0.623930 O\n0.122348 0.163012 0.130732 O\n0.768567 0.028471 0.043862 O\n0.691501 0.077869 0.614313 O\n0.036505 0.236592 0.878811 O\n0.544461 0.208659 0.397125 O\n0.383160 0.181154 0.915220 O\n0.094773 0.356538 0.373379 O\n0.410226 0.334228 0.102638 O\n0.896202 0.186569 0.411326 O\n0.608183 0.329889 0.847338 O\n0.882528 0.324747 0.616476 O\n0.241879 0.467371 0.904437 O\n0.277972 0.532606 0.585606 O\n0.722028 0.467394 0.414394 O\n0.758121 0.532629 0.095563 O\n0.117472 0.675253 0.383524 O\n0.391817 0.670111 0.152662 O\n0.103798 0.813431 0.588674 O\n0.589774 0.665772 0.897362 O\n0.905227 0.643462 0.626621 O\n0.616840 0.818846 0.084780 O\n0.455539 0.791341 0.602875 O\n0.963495 0.763408 0.121189 O\n0.308499 0.922131 0.385687 O\n0.231433 0.971529 0.956138 O\n0.877652 0.836988 0.869268 O\n0.821035 0.965055 0.376070 O\n",
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"formula_full": "Na6 Bi2 P8 O28",
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{
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