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{
"id": "jvasp-35122",
"created_at": "2022-09-04T14:37:29.435282Z",
"updated_at": "2022-09-04T14:37:29.435303Z",
"structure_string": "Ba1 Li2 Mg1 P2 O8\n1.0\n5.061324 0.000973 -0.001163\n-2.529926 -4.383609 0.000050\n-0.001561 0.000760 -7.106752\nBa Li Mg P O\n1 2 1 2 8\ndirect\n0.000000 -0.000000 0.500000 Ba\n0.333327 0.666662 0.760822 Li\n0.666672 0.333339 0.239177 Li\n0.000000 0.000000 0.000000 Mg\n0.333333 0.666666 0.248892 P\n0.666666 0.333334 0.751108 P\n0.333330 0.666660 0.466991 O\n0.666669 0.333341 0.533008 O\n0.640050 0.940787 0.179105 O\n0.059228 0.699267 0.179107 O\n0.300733 0.359955 0.179102 O\n0.359948 0.059213 0.820895 O\n0.940771 0.300734 0.820892 O\n0.699266 0.640046 0.820897 O\n",
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{
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"structure_string": "Zn2 Co4 S8\n1.0\n5.900019 -0.000062 3.406273\n1.966621 5.562580 3.406261\n-0.000070 -0.000063 6.812666\nZn Co S\n2 4 8\ndirect\n0.874985 0.875015 0.875015 Zn\n0.125016 0.124985 0.124985 Zn\n0.500000 0.500000 0.500000 Co\n0.500000 0.500000 -0.000000 Co\n-0.000000 0.500000 0.500001 Co\n0.500000 1.000000 0.500000 Co\n0.734695 0.734696 0.734696 S\n0.265304 0.265307 0.704083 S\n0.265304 0.704083 0.265307 S\n0.704110 0.265297 0.265296 S\n0.734697 0.295917 0.734693 S\n0.295890 0.734703 0.734703 S\n0.265304 0.265305 0.265304 S\n0.734696 0.734692 0.295917 S\n",
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{
"id": "jvasp-54692",
"created_at": "2022-09-04T14:37:28.145573Z",
"updated_at": "2022-09-04T14:37:28.145595Z",
"structure_string": "Nd2 H6 O6\n1.0\n3.224067 -5.584247 0.000000\n3.224067 5.584247 -0.000000\n0.000000 0.000000 3.736812\nNd H O\n2 6 6\ndirect\n0.333333 0.666668 0.750000 Nd\n0.666668 0.333333 0.250000 Nd\n0.865359 0.137701 0.750000 H\n0.862300 0.727659 0.750000 H\n0.272343 0.134642 0.750000 H\n0.134642 0.862300 0.250000 H\n0.137701 0.272343 0.250000 H\n0.727659 0.865359 0.250000 H\n0.918116 0.308439 0.750000 O\n0.691562 0.609678 0.750000 O\n0.390323 0.081885 0.750000 O\n0.081885 0.691562 0.250000 O\n0.308439 0.390323 0.250000 O\n0.609678 0.918116 0.250000 O\n",
"nsites": 14,
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"volume": 134.55502539691753,
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"formula_full": "Nd2 H6 O6",
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{
"id": "jvasp-10478",
"created_at": "2022-09-04T14:37:13.444793Z",
"updated_at": "2022-09-04T14:37:13.444813Z",
"structure_string": "K1 Li6 Ta1 O6\n1.0\n5.222864 0.002401 -1.031268\n-1.255257 5.069778 -1.031268\n0.001878 0.002401 5.323703\nK Li Ta O\n1 6 1 6\ndirect\n0.500000 0.500000 0.499999 K\n0.344323 -0.000000 0.655676 Li\n-0.000000 0.655677 0.344323 Li\n0.344322 0.655677 -0.000000 Li\n0.000000 0.344323 0.655676 Li\n0.655677 -0.000000 0.344322 Li\n0.655676 0.344323 -0.000001 Li\n0.000000 0.000000 0.000000 Ta\n0.272672 0.914734 0.272672 O\n0.272673 0.272672 0.914733 O\n0.727327 0.085266 0.727327 O\n0.727327 0.727328 0.085266 O\n0.085266 0.727328 0.727327 O\n0.914733 0.272672 0.272672 O\n",
"nsites": 14,
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"volume": 141.00695876101148,
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{
"id": "jvasp-10231",
"created_at": "2022-09-04T14:37:06.200982Z",
"updated_at": "2022-09-04T14:37:06.200992Z",
"structure_string": "K2 Na4 B2 O6\n1.0\n5.582349 0.000000 0.000000\n0.000000 5.611800 0.000000\n0.000000 0.000000 6.006990\nK Na B O\n2 4 2 6\ndirect\n0.918858 0.500000 0.000000 K\n0.081142 0.000000 0.500000 K\n0.373870 0.500000 0.270242 Na\n0.373870 0.500000 0.729758 Na\n0.626131 0.000000 0.229758 Na\n0.626131 0.000000 0.770242 Na\n0.796537 0.500000 0.500000 B\n0.203463 0.000000 0.000000 B\n0.665460 0.287069 0.500000 O\n0.334541 0.212931 0.000000 O\n0.044813 0.500000 0.500000 O\n0.955188 0.000000 0.000000 O\n0.334541 0.787069 0.000000 O\n0.665460 0.712931 0.500000 O\n",
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"formula_anonymous": "ABC2D3",
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{
"id": "jvasp-22188",
"created_at": "2022-09-04T14:37:29.662440Z",
"updated_at": "2022-09-04T14:37:29.662459Z",
"structure_string": "Cu2 Rh4 S8\n1.0\n6.046468 -0.000000 3.490930\n2.015490 5.700665 3.490930\n-0.000000 0.000000 6.981860\nCu Rh S\n2 4 8\ndirect\n0.875001 0.874999 0.875000 Cu\n0.125000 0.125000 0.125000 Cu\n0.500000 0.500000 0.000000 Rh\n0.500000 0.500000 0.500000 Rh\n0.000000 0.500000 0.500000 Rh\n0.500000 0.000000 0.500000 Rh\n0.740759 0.740758 0.740759 S\n0.259241 0.259241 0.722276 S\n0.259241 0.722275 0.259241 S\n0.722276 0.259241 0.259241 S\n0.740759 0.277724 0.740759 S\n0.277725 0.740758 0.740759 S\n0.259241 0.259241 0.259241 S\n0.740759 0.740758 0.277724 S\n",
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"volume": 240.65695387112788,
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"formula_full": "Cu2 Rh4 S8",
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"formula_anonymous": "AB2C4",
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"spacegroup": 227
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{
"id": "jvasp-50930",
"created_at": "2022-09-04T14:37:29.670171Z",
"updated_at": "2022-09-04T14:37:29.670190Z",
"structure_string": "Rb6 Y2 O6\n1.0\n3.856783 6.097230 0.146043\n-3.856783 6.097230 -0.146043\n-1.399452 0.000000 7.044564\nRb Y O\n6 2 6\ndirect\n0.360637 0.639363 0.638924 Rb\n0.798654 0.798654 0.500000 Rb\n0.201346 0.201346 0.500000 Rb\n0.258850 0.258850 0.000000 Rb\n0.741150 0.741150 -0.000000 Rb\n0.639363 0.360637 0.361076 Rb\n0.181280 0.818720 0.147452 Y\n0.818720 0.181280 0.852548 Y\n0.099009 0.900991 0.838502 O\n0.170057 0.547357 0.268333 O\n0.452643 0.829943 0.268333 O\n0.829943 0.452643 0.731667 O\n0.547357 0.170057 0.731667 O\n0.900992 0.099009 0.161497 O\n",
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{
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"created_at": "2022-09-04T14:37:13.463053Z",
"updated_at": "2022-09-04T14:37:13.463074Z",
"structure_string": "Mn2 Zn2 F10\n1.0\n5.132387 -0.026581 -0.034404\n-1.847515 5.095459 -0.076398\n-2.164922 -2.305402 6.904179\nMn Zn F\n2 2 10\ndirect\n0.997014 -0.000607 -0.000814 Mn\n0.496996 -0.000619 0.499175 Mn\n0.791300 0.518250 0.259274 Zn\n0.202698 0.480515 0.739084 Zn\n0.885317 0.165092 0.768657 F\n0.108641 0.833665 0.229678 F\n0.338222 0.215685 0.615690 F\n0.001103 0.713256 0.824718 F\n0.595426 0.759211 0.953407 F\n0.260308 0.693648 0.549230 F\n0.398570 0.239585 0.044922 F\n0.733622 0.305113 0.449099 F\n0.992899 0.285520 0.173647 F\n0.655763 0.783082 0.382655 F\n",
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{
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"created_at": "2022-09-04T14:37:28.562072Z",
"updated_at": "2022-09-04T14:37:28.562100Z",
"structure_string": "Y2 Mn4 O8\n1.0\n5.099350 0.106432 -2.526531\n-1.371907 4.893432 -2.562956\n-0.041642 -0.007993 6.327255\nY Mn O\n2 4 8\ndirect\n0.875000 0.125000 0.750001 Y\n0.125000 0.875000 0.250000 Y\n0.500000 -0.000000 -0.000000 Mn\n0.500000 0.500000 -0.000001 Mn\n-0.000000 0.500000 0.500000 Mn\n0.500000 0.500000 0.500000 Mn\n0.720509 0.523094 0.851007 O\n0.130497 0.827913 0.851007 O\n0.279490 0.476906 0.148993 O\n0.869503 0.172087 0.148993 O\n0.523093 0.130498 0.351014 O\n0.827921 0.720516 0.351014 O\n0.172079 0.279484 0.648986 O\n0.476907 0.869502 0.648986 O\n",
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{
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"created_at": "2022-09-04T14:37:27.964678Z",
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"structure_string": "Ba2 Tl2 Cu2 O8\n1.0\n3.686763 -0.000000 -0.477857\n-0.061937 3.686243 -0.477857\n0.214767 0.218406 16.117957\nBa Tl Cu O\n2 2 2 8\ndirect\n0.117802 0.117802 0.235604 Ba\n0.882197 0.882198 0.764396 Ba\n0.287418 0.287419 0.574836 Tl\n0.712581 0.712582 0.425164 Tl\n0.544151 0.544151 0.088303 Cu\n0.455849 0.455849 0.911697 Cu\n0.778491 0.778492 0.556983 O\n0.943231 0.443232 0.886463 O\n0.556769 0.056769 0.113537 O\n0.649053 0.649053 0.298106 O\n0.056769 0.556769 0.113537 O\n0.443230 0.943231 0.886463 O\n0.350946 0.350947 0.701894 O\n0.221508 0.221509 0.443018 O\n",
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{
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"created_at": "2022-09-04T14:37:28.889154Z",
"updated_at": "2022-09-04T14:37:28.889183Z",
"structure_string": "Ti8 Co2 Bi4\n1.0\n4.619339 0.000000 1.517837\n2.309669 7.489332 0.758919\n-0.028226 -0.000000 7.873997\nTi Co Bi\n8 2 4\ndirect\n0.420164 0.272724 0.886948 Ti\n0.692889 0.886947 0.727276 Ti\n0.807111 0.272724 0.113053 Ti\n0.192889 0.727275 0.886948 Ti\n0.079835 0.113052 0.727276 Ti\n0.920165 0.886947 0.272725 Ti\n0.579836 0.727275 0.113053 Ti\n0.307111 0.113052 0.272725 Ti\n0.250000 -0.000000 0.000000 Co\n0.750000 -0.000000 0.000000 Co\n0.359803 0.780394 0.500001 Bi\n0.859803 0.500000 0.780395 Bi\n0.140197 0.500000 0.219606 Bi\n0.640197 0.219606 0.500001 Bi\n",
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{
"id": "jvasp-52490",
"created_at": "2022-09-04T14:37:06.003028Z",
"updated_at": "2022-09-04T14:37:06.003049Z",
"structure_string": "Zn2 Cu4 O8\n1.0\n-2.751601 4.814609 2.648142\n2.647675 -4.814609 2.751431\n2.751601 4.814609 -2.648142\nZn Cu O\n2 4 8\ndirect\n0.874982 0.749999 0.624981 Zn\n0.125018 0.250000 0.375018 Zn\n0.500000 -0.000000 0.000000 Cu\n0.500000 0.499999 -0.000000 Cu\n0.500000 0.000000 0.500000 Cu\n-0.000000 0.499999 -0.000001 Cu\n0.835005 0.715506 0.214166 O\n0.501340 0.215507 0.380502 O\n0.714177 0.879178 -0.001329 O\n0.880506 0.379178 0.665001 O\n0.119494 0.620821 0.334998 O\n0.285822 0.120821 0.001328 O\n0.498660 0.784492 0.619497 O\n0.164995 0.284493 0.785833 O\n",
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}
]
}