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{
"id": "jvasp-9958",
"created_at": "2022-09-04T14:37:18.780283Z",
"updated_at": "2022-09-04T14:37:18.780307Z",
"structure_string": "Mg2 Co4 O8\n1.0\n2.833198 0.000000 0.000000\n-1.416599 4.617524 -0.000000\n0.000000 -0.000000 9.362190\nMg Co O\n2 4 8\ndirect\n0.390716 0.781433 0.750000 Mg\n0.609284 0.218566 0.250000 Mg\n0.863959 0.727917 0.071075 Co\n0.136041 0.272082 0.928925 Co\n0.863959 0.727917 0.428925 Co\n0.136041 0.272082 0.571075 Co\n0.230865 0.461732 0.389089 O\n0.769135 0.538267 0.610911 O\n0.769135 0.538267 0.889089 O\n0.230865 0.461732 0.110911 O\n0.957365 0.914730 0.250000 O\n0.042635 0.085269 0.750000 O\n0.500000 0.000000 0.000000 O\n0.500000 0.000000 0.500000 O\n",
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{
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"structure_string": "Li2 Cr2 Co2 O8\n1.0\n-2.866211 1.625003 4.672870\n-2.866211 4.947292 -0.025555\n-2.866211 -1.625003 -4.672870\nLi Cr Co O\n2 2 2 8\ndirect\n0.750000 0.126915 0.623085 Li\n0.249999 0.873085 0.376915 Li\n0.500000 -0.000000 0.000000 Cr\n-0.000000 0.500000 0.000000 Cr\n0.500000 0.500000 0.000000 Co\n-0.000000 0.500000 0.500000 Co\n0.524364 0.738281 0.786084 O\n0.975635 0.738280 0.237353 O\n0.971641 0.288551 0.239807 O\n0.528358 0.731834 0.239807 O\n0.471641 0.268166 0.760193 O\n0.028358 0.711449 0.760193 O\n0.024364 0.261720 0.762647 O\n0.475635 0.261719 0.213916 O\n",
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{
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"updated_at": "2022-09-04T14:37:19.122744Z",
"structure_string": "Th6 Sb8\n1.0\n7.727157 0.000000 -2.731962\n-3.863578 6.691913 -2.731962\n-0.000000 -0.000000 8.195887\nTh Sb\n6 8\ndirect\n0.750000 0.875000 0.125000 Th\n0.625000 0.375000 0.250000 Th\n0.875000 0.125000 0.750001 Th\n0.125000 0.750000 0.875000 Th\n0.375000 0.250000 0.625000 Th\n0.250000 0.625000 0.375000 Th\n0.659110 0.659109 0.659110 Sb\n0.340890 0.500000 0.000000 Sb\n0.500000 -0.000000 0.340891 Sb\n-0.000000 0.340890 0.500000 Sb\n0.500000 -0.000000 0.840891 Sb\n-0.000000 0.840890 0.500000 Sb\n0.159110 0.159110 0.159110 Sb\n0.840890 0.500000 0.000000 Sb\n",
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"elements": [
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"density_atomic": 0.03303406745148697,
"volume": 423.8049105082218,
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"formula_full": "Th6 Sb8",
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{
"id": "jvasp-53641",
"created_at": "2022-09-04T14:37:19.124142Z",
"updated_at": "2022-09-04T14:37:19.124174Z",
"structure_string": "Yb4 Sm2 S8\n1.0\n6.860366 -0.070590 -2.382278\n-3.491316 5.905957 -2.382278\n0.040755 0.070590 7.262108\nYb Sm S\n4 2 8\ndirect\n0.124672 0.750000 0.874672 Yb\n0.250000 0.624673 0.374672 Yb\n0.375327 0.250000 0.625327 Yb\n0.750000 0.875328 0.125327 Yb\n0.625000 0.375000 0.250000 Sm\n0.875000 0.125000 0.750000 Sm\n0.998401 0.354335 0.505857 S\n0.507455 0.001599 0.855933 S\n0.151522 0.145666 0.144067 S\n0.348477 0.492545 0.994143 S\n0.645665 0.651523 0.644067 S\n0.501599 0.007456 0.355933 S\n0.992544 0.848478 0.494143 S\n0.854335 0.498402 0.005857 S\n",
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"density": 7.038285102114993,
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{
"id": "jvasp-34374",
"created_at": "2022-09-04T14:37:19.272798Z",
"updated_at": "2022-09-04T14:37:19.272823Z",
"structure_string": "Mg4 Si2 O8\n1.0\n4.821527 0.000035 0.000062\n-0.000000 5.184003 -2.965973\n-0.000208 -0.023120 5.972945\nMg Si O\n4 2 8\ndirect\n0.500000 0.500000 0.500001 Mg\n0.500000 0.500000 0.000000 Mg\n0.000000 0.000000 0.000000 Mg\n0.500000 0.000000 0.500000 Mg\n0.928454 0.333351 0.666701 Si\n0.071546 0.666650 0.333300 Si\n0.266796 0.333343 0.666687 O\n0.223373 0.375806 0.187895 O\n0.733204 0.666657 0.333314 O\n0.223373 0.812087 0.187895 O\n0.223372 0.812060 0.624121 O\n0.776627 0.624194 0.812106 O\n0.776627 0.187913 0.812106 O\n0.776628 0.187940 0.375880 O\n",
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"elements": [
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"volume": 148.96200009069187,
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"formula_full": "Mg4 Si2 O8",
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"spacegroup": 164
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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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"density_atomic": 0.08879920663994079,
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"formula_full": "Ba1 Li2 Mg1 P2 O8",
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"spacegroup": 147
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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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{
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"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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"volume": 333.8079146307385,
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"formula_full": "Rb6 Y2 O6",
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"spacegroup": 12
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{
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"created_at": "2022-09-04T14:37:18.764757Z",
"updated_at": "2022-09-04T14:37:18.764793Z",
"structure_string": "Li4 V2 O2 F6\n1.0\n4.993222 0.001287 0.004293\n-0.002093 5.417839 -0.029610\n-0.004415 -2.706626 5.234915\nLi V O F\n4 2 2 6\ndirect\n0.994900 0.132376 0.587100 Li\n0.521423 0.066584 0.305374 Li\n0.525724 0.632708 0.587404 Li\n0.999453 0.566582 0.305342 Li\n0.981676 0.989933 0.011365 V\n0.539183 0.489964 0.011364 V\n0.808584 0.765336 0.127265 O\n0.712369 0.264975 0.126583 O\n0.659511 0.308245 0.639801 F\n0.171510 0.220687 0.353963 F\n0.324437 0.745665 0.891082 F\n0.196413 0.245496 0.890841 F\n0.861335 0.807953 0.639784 F\n0.349422 0.720592 0.353915 F\n",
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{
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"created_at": "2022-09-04T14:37:29.474571Z",
"updated_at": "2022-09-04T14:37:29.474597Z",
"structure_string": "Mg2 Ni4 O8\n1.0\n5.790305 -0.073922 0.031583\n2.831135 5.051512 0.031583\n2.899600 1.674085 4.735027\nMg Ni O\n2 4 8\ndirect\n0.124999 0.625000 0.625000 Mg\n0.625000 0.125001 0.625000 Mg\n0.997689 0.997689 0.002310 Ni\n0.252311 0.252312 0.247689 Ni\n0.625000 0.625000 0.124999 Ni\n0.625000 0.625001 0.625000 Ni\n0.389357 0.389358 0.373532 O\n0.405912 0.854459 0.369814 O\n0.389357 0.389358 0.847753 O\n0.854459 0.405913 0.369814 O\n0.395541 0.844088 0.880185 O\n0.844088 0.395542 0.880185 O\n0.860643 0.860643 0.402246 O\n0.860643 0.860644 0.876467 O\n",
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{
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"created_at": "2022-09-04T14:37:29.493706Z",
"updated_at": "2022-09-04T14:37:29.493724Z",
"structure_string": "Cu2 Rh4 Se8\n1.0\n6.361031 -0.000000 3.672543\n2.120344 5.997238 3.672543\n0.000000 0.000000 7.345086\nCu Rh Se\n2 4 8\ndirect\n0.874999 0.875000 0.875000 Cu\n0.125000 0.125000 0.125000 Cu\n0.500000 0.500000 0.500000 Rh\n0.500000 0.000000 0.500000 Rh\n-0.000000 0.500000 0.500000 Rh\n0.500000 0.500000 -0.000000 Rh\n0.259298 0.259298 0.722107 Se\n0.740701 0.740702 0.740702 Se\n0.740701 0.740702 0.277893 Se\n0.259298 0.722107 0.259298 Se\n0.259298 0.259298 0.259298 Se\n0.277893 0.740702 0.740702 Se\n0.740701 0.277894 0.740702 Se\n0.722106 0.259298 0.259298 Se\n",
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"formula_full": "Cu2 Rh4 Se8",
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{
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"created_at": "2022-09-04T14:37:18.675436Z",
"updated_at": "2022-09-04T14:37:18.675453Z",
"structure_string": "Mg2 Cr4 O8\n1.0\n2.881832 -0.000029 0.591194\n1.310795 7.195485 0.930457\n0.013327 0.595562 7.255665\nMg Cr O\n2 4 8\ndirect\n0.321100 0.154668 0.203232 Mg\n0.674362 0.822380 0.829003 Mg\n0.630731 0.172829 0.565810 Cr\n0.139385 0.519714 0.201630 Cr\n0.856086 0.457335 0.830598 Cr\n0.364732 0.804218 0.466419 Cr\n0.862941 0.668740 0.605488 O\n0.459298 0.299964 0.781563 O\n0.536172 0.677086 0.250663 O\n0.132521 0.308309 0.426745 O\n0.165517 0.984168 0.684908 O\n0.775835 0.344082 0.104355 O\n0.829948 0.992881 0.347322 O\n0.219636 0.632964 0.927876 O\n",
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"spacegroup": 12
}
]
}