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{
"id": "jvasp-36187",
"created_at": "2022-09-04T14:37:18.108883Z",
"updated_at": "2022-09-04T14:37:18.108902Z",
"structure_string": "Br2 Cl2\n1.0\n3.235564 2.261785 0.000000\n-3.235564 2.261785 0.000000\n0.000000 0.000000 7.817153\nBr Cl\n2 2\ndirect\n0.999861 0.999861 0.375012 Br\n0.000141 0.000141 0.875012 Br\n0.681402 0.681402 0.624988 Cl\n0.318600 0.318600 0.124988 Cl\n",
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{
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"structure_string": "Ti2 Fe4 O10\n1.0\n3.737071 0.000000 0.000000\n-1.868535 4.928270 -0.000000\n0.000000 0.000000 10.060593\nTi Fe O\n2 4 10\ndirect\n0.181625 0.363249 0.750000 Ti\n0.818374 0.636751 0.250000 Ti\n0.138845 0.277689 0.438067 Fe\n0.861154 0.722311 0.561934 Fe\n0.861154 0.722311 0.938066 Fe\n0.138845 0.277689 0.061934 Fe\n0.310166 0.620333 0.578378 O\n0.689832 0.379667 0.421623 O\n0.689832 0.379667 0.078378 O\n0.310166 0.620333 0.921621 O\n0.047388 0.094776 0.619327 O\n0.952610 0.905224 0.380671 O\n0.746633 0.493268 0.750000 O\n0.253366 0.506732 0.250000 O\n0.952610 0.905224 0.119329 O\n0.047388 0.094776 0.880672 O\n",
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{
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"updated_at": "2022-09-04T14:37:18.253913Z",
"structure_string": "Ag4 S2\n1.0\n0.000000 4.229141 0.020290\n7.389540 0.000000 0.000000\n0.000000 -1.508899 -3.949226\nAg S\n4 2\ndirect\n0.115409 0.750000 0.884436 Ag\n0.884591 0.250000 0.115565 Ag\n0.500000 0.000000 0.500000 Ag\n0.500000 0.500000 0.500000 Ag\n0.724544 0.750000 0.275138 S\n0.275456 0.250000 0.724863 S\n",
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{
"id": "jvasp-57311",
"created_at": "2022-09-04T14:37:18.275926Z",
"updated_at": "2022-09-04T14:37:18.275951Z",
"structure_string": "Na2 V2 Cd2 O8\n1.0\n5.580758 0.058799 0.000000\n-2.325268 5.073603 0.000000\n-0.000000 0.000000 6.853633\nNa V Cd O\n2 2 2 8\ndirect\n0.500000 0.500000 0.000000 Na\n0.500000 0.500000 0.500000 Na\n0.860090 0.139911 0.750000 V\n0.139910 0.860089 0.250000 V\n0.180008 0.819991 0.750000 Cd\n0.819992 0.180009 0.250000 Cd\n0.801001 0.743050 0.250000 O\n0.256950 0.198999 0.250000 O\n0.249726 0.750273 0.454763 O\n0.249726 0.750273 0.045236 O\n0.750274 0.249726 0.545236 O\n0.750274 0.249726 0.954763 O\n0.198999 0.256950 0.750000 O\n0.743050 0.801001 0.750000 O\n",
"nsites": 14,
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"volume": 194.99459013312313,
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"formula_full": "Na2 V2 Cd2 O8",
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{
"id": "jvasp-24611",
"created_at": "2022-09-04T14:37:18.297314Z",
"updated_at": "2022-09-04T14:37:18.297335Z",
"structure_string": "V6 As2 C2\n1.0\n3.130408 0.000000 0.000000\n-1.565204 5.084348 -0.000000\n0.000000 -0.000000 7.700839\nV As C\n6 2 2\ndirect\n0.126197 0.252394 0.552037 V\n0.545328 0.090654 0.250000 V\n0.454675 0.909346 0.750000 V\n0.126197 0.252394 0.947963 V\n0.873805 0.747606 0.052037 V\n0.873805 0.747606 0.447963 V\n0.241047 0.482094 0.250000 As\n0.758955 0.517906 0.750000 As\n0.500000 0.000000 0.500000 C\n0.500000 0.000000 0.000000 C\n",
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{
"id": "jvasp-24610",
"created_at": "2022-09-04T14:37:18.361265Z",
"updated_at": "2022-09-04T14:37:18.361285Z",
"structure_string": "Co2 B6 W6\n1.0\n3.193938 -0.000000 -0.000000\n-1.596969 4.238995 0.000000\n-0.000000 0.000000 10.799685\nCo B W\n2 6 6\ndirect\n0.500000 0.000000 0.000000 Co\n0.500000 0.000000 0.500000 Co\n0.208041 0.416082 0.250000 B\n0.791959 0.583917 0.750000 B\n0.913818 0.827634 0.603243 B\n0.086182 0.172365 0.396757 B\n0.086182 0.172365 0.103243 B\n0.913818 0.827634 0.896757 B\n0.500817 0.001635 0.250000 W\n0.499182 0.998364 0.750000 W\n0.211355 0.422709 0.606606 W\n0.788645 0.577290 0.393394 W\n0.788645 0.577290 0.106606 W\n0.211355 0.422709 0.893394 W\n",
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"formula_full": "Co2 B6 W6",
"formula_reduced": "Co(BW)3",
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{
"id": "jvasp-10317",
"created_at": "2022-09-04T14:37:18.525104Z",
"updated_at": "2022-09-04T14:37:18.525123Z",
"structure_string": "Mg2 Ti4 O10\n1.0\n3.725505 -0.000000 -0.000000\n-1.862752 5.032454 0.000000\n0.000000 -0.000000 11.389976\nMg Ti O\n2 4 10\ndirect\n0.894902 0.789799 0.750000 Mg\n0.105100 0.210201 0.250000 Mg\n0.201509 0.403016 0.597976 Ti\n0.798493 0.596984 0.402024 Ti\n0.798493 0.596984 0.097976 Ti\n0.201509 0.403016 0.902025 Ti\n0.701286 0.402570 0.250000 O\n0.298716 0.597430 0.750000 O\n0.239303 0.478603 0.077597 O\n0.760701 0.521397 0.922404 O\n0.760701 0.521397 0.577597 O\n0.239303 0.478603 0.422403 O\n0.036593 0.073185 0.628300 O\n0.963408 0.926813 0.371700 O\n0.036593 0.073185 0.871700 O\n0.963408 0.926813 0.128301 O\n",
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"formula_full": "Mg2 Ti4 O10",
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"formula_anonymous": "AB2C5",
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"spacegroup": 63
},
{
"id": "jvasp-9960",
"created_at": "2022-09-04T14:37:18.597217Z",
"updated_at": "2022-09-04T14:37:18.597236Z",
"structure_string": "Ca2 Mn4 O8\n1.0\n3.077340 0.000000 0.000000\n-1.538670 4.933619 0.000000\n0.000000 -0.000000 9.797948\nCa Mn O\n2 4 8\ndirect\n0.391406 0.782812 0.750000 Ca\n0.608594 0.217188 0.250000 Ca\n0.865338 0.730677 0.068276 Mn\n0.134662 0.269323 0.931724 Mn\n0.865338 0.730677 0.431724 Mn\n0.134662 0.269323 0.568277 Mn\n0.228054 0.456108 0.393658 O\n0.771946 0.543892 0.606343 O\n0.771946 0.543892 0.893658 O\n0.228054 0.456108 0.106342 O\n0.936225 0.872449 0.250000 O\n0.063775 0.127551 0.750000 O\n0.500000 0.000000 0.000000 O\n0.500000 0.000000 0.500000 O\n",
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{
"id": "jvasp-9956",
"created_at": "2022-09-04T14:37:18.652796Z",
"updated_at": "2022-09-04T14:37:18.652812Z",
"structure_string": "Mg2 Cr4 O8\n1.0\n2.891587 -0.000000 0.000000\n-1.445793 4.768905 -0.000000\n0.000000 0.000000 9.708463\nMg Cr O\n2 4 8\ndirect\n0.388165 0.776328 0.750000 Mg\n0.611836 0.223671 0.250000 Mg\n0.866591 0.733180 0.072534 Cr\n0.133411 0.266819 0.927465 Cr\n0.866591 0.733180 0.427465 Cr\n0.133411 0.266819 0.572534 Cr\n0.230542 0.461083 0.386412 O\n0.769460 0.538916 0.613588 O\n0.769460 0.538916 0.886412 O\n0.230542 0.461083 0.113588 O\n0.962864 0.925726 0.250000 O\n0.037138 0.074273 0.750000 O\n0.500001 0.000000 0.000000 O\n0.500001 0.000000 0.500000 O\n",
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{
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"created_at": "2022-09-04T14:37:30.269138Z",
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"structure_string": "Lu2 Al4 Ni2\n1.0\n4.045543 0.000000 0.000000\n-2.022771 4.914957 0.000000\n0.000000 -0.000000 6.857643\nLu Al Ni\n2 4 2\ndirect\n0.436796 0.873592 0.250000 Lu\n0.563204 0.126408 0.750000 Lu\n0.150859 0.301719 0.052954 Al\n0.849141 0.698282 0.947046 Al\n0.849141 0.698282 0.552953 Al\n0.150859 0.301719 0.447046 Al\n0.714831 0.429663 0.250000 Ni\n0.285169 0.570338 0.750000 Ni\n",
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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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"spacegroup": 63
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{
"id": "jvasp-85266",
"created_at": "2022-09-04T14:37:18.808450Z",
"updated_at": "2022-09-04T14:37:18.808475Z",
"structure_string": "Cu6 Se6\n1.0\n3.971025 -0.000000 0.000000\n-1.985513 3.545002 -0.000000\n-0.000000 -0.000000 17.287433\nCu Se\n6 6\ndirect\n0.650957 0.301912 0.111164 Cu\n0.349045 0.698088 0.888836 Cu\n0.349045 0.698088 0.611164 Cu\n0.650957 0.301912 0.388836 Cu\n0.574407 0.148813 0.750000 Cu\n0.425594 0.851186 0.250000 Cu\n0.247765 0.495529 0.750000 Se\n0.752237 0.504471 0.250000 Se\n0.016080 0.032162 0.570183 Se\n0.983921 0.967838 0.070184 Se\n0.016080 0.032162 0.929816 Se\n0.983921 0.967838 0.429816 Se\n",
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"formula_full": "Cu6 Se6",
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}
]
}