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{
"id": "jvasp-9462",
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"structure_string": "Mg2 Sb3 O8\n1.0\n5.499932 0.246839 -1.259609\n-0.922680 5.483821 -2.954136\n0.155705 -0.359146 5.995704\nMg Sb O\n2 3 8\ndirect\n0.585452 0.705998 0.411996 Mg\n0.414545 0.294002 0.588002 Mg\n0.500000 0.999999 -0.000001 Sb\n0.999999 0.741527 -0.000001 Sb\n0.999999 0.258473 -0.000000 Sb\n0.141184 0.401650 0.803300 O\n0.858815 0.598348 0.196697 O\n0.098670 0.893903 0.787804 O\n0.901329 0.106096 0.212192 O\n0.344897 0.372806 0.266810 O\n0.344897 0.894004 0.266810 O\n0.655103 0.105994 0.733188 O\n0.655103 0.627193 0.733187 O\n",
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{
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{
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"created_at": "2022-09-04T14:38:06.315525Z",
"updated_at": "2022-09-04T14:38:06.315553Z",
"structure_string": "Ca2 Ti3 O8\n1.0\n4.845335 -0.011687 -1.535062\n-0.894743 5.317786 -2.864692\n-0.040130 -0.082863 6.366546\nCa Ti O\n2 3 8\ndirect\n0.661873 0.725511 0.451020 Ca\n0.338126 0.274491 0.548981 Ca\n0.500000 1.000000 0.000001 Ti\n0.999998 0.733976 0.000000 Ti\n0.999998 0.266024 -0.000000 Ti\n0.047898 0.395640 0.791280 O\n0.952102 0.604360 0.208722 O\n0.093983 0.899987 0.799974 O\n0.906017 0.100013 0.200027 O\n0.394094 0.324806 0.208577 O\n0.394095 0.883770 0.208578 O\n0.605906 0.116230 0.791424 O\n0.605906 0.675194 0.791424 O\n",
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{
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"created_at": "2022-09-04T14:38:04.755877Z",
"updated_at": "2022-09-04T14:38:04.755899Z",
"structure_string": "Sb4 O8\n1.0\n6.236335 -0.021858 -0.029306\n-3.096414 5.996071 -0.007080\n-3.096672 -1.755742 5.733210\nSb O\n4 8\ndirect\n0.500000 0.500000 -0.000000 Sb\n0.000000 0.500000 0.000000 Sb\n0.000000 0.500000 0.500000 Sb\n0.500000 -0.000000 -0.000000 Sb\n0.557799 0.301822 0.813663 O\n0.057795 0.313662 0.801820 O\n0.015750 0.705793 0.794273 O\n0.942206 0.686338 0.198179 O\n0.484252 0.705726 0.794208 O\n0.515749 0.294273 0.205791 O\n0.984251 0.294207 0.205727 O\n0.442202 0.698177 0.186336 O\n",
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"formula_full": "Sb4 O8",
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"spacegroup": 74
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{
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"created_at": "2022-09-04T14:38:09.432298Z",
"updated_at": "2022-09-04T14:38:09.432312Z",
"structure_string": "Ca4 Cr4 O8\n1.0\n3.068958 0.003986 0.004884\n-0.011000 8.151933 0.061724\n-0.012580 -0.905185 8.444733\nCa Cr O\n4 4 8\ndirect\n0.751979 0.931490 0.334953 Ca\n0.251983 0.088591 0.693249 Ca\n0.751995 0.195995 0.055228 Ca\n0.251974 0.824092 0.972974 Ca\n0.752009 0.728325 0.622933 Cr\n0.251945 0.562193 0.213081 Cr\n0.752025 0.457899 0.815131 Cr\n0.251959 0.291744 0.405263 Cr\n0.751967 0.186678 0.511278 O\n0.252021 0.615831 0.750467 O\n0.751940 0.404261 0.277743 O\n0.252002 0.833392 0.516911 O\n0.751983 0.973393 0.848217 O\n0.751953 0.695762 0.140945 O\n0.251977 0.046696 0.179981 O\n0.252017 0.324320 0.887255 O\n",
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{
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"created_at": "2022-09-04T14:38:10.161008Z",
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"structure_string": "Ca4 Fe4 O8\n1.0\n3.150037 -0.160274 -0.011030\n0.394923 7.739083 0.127375\n0.066986 0.704746 8.671549\nCa Fe O\n4 4 8\ndirect\n0.749974 0.708912 0.963930 Ca\n0.250027 0.291089 0.036071 Ca\n0.749878 0.924774 0.283243 Ca\n0.250123 0.075227 0.716758 Ca\n0.750087 0.423183 0.717914 Fe\n0.249921 0.691261 0.638710 Fe\n0.750079 0.308740 0.361291 Fe\n0.249914 0.576818 0.282087 Fe\n0.749983 0.469351 0.163941 O\n0.750027 0.256625 0.573819 O\n0.249974 0.743375 0.426182 O\n0.250018 0.530650 0.836060 O\n0.750089 0.195753 0.882363 O\n0.750097 0.846336 0.713054 O\n0.249912 0.804248 0.117638 O\n0.249904 0.153665 0.286947 O\n",
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{
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"created_at": "2022-09-04T14:38:05.442269Z",
"updated_at": "2022-09-04T14:38:05.442304Z",
"structure_string": "Ca4 Co4 O8\n1.0\n3.245027 -0.001667 -0.002177\n0.003644 6.930588 0.227930\n0.006218 1.055417 8.552747\nCa Co O\n4 4 8\ndirect\n0.741937 0.755265 0.965035 Ca\n0.241940 0.216535 0.055047 Ca\n0.741947 0.886403 0.349212 Ca\n0.241933 0.085394 0.670872 Ca\n0.741946 0.417917 0.759713 Co\n0.241941 0.653134 0.650504 Co\n0.741948 0.318661 0.369579 Co\n0.241939 0.553882 0.260371 Co\n0.741945 0.435076 0.152285 O\n0.741939 0.313838 0.578181 O\n0.241945 0.657957 0.441901 O\n0.241934 0.536722 0.867798 O\n0.741937 0.139004 0.885151 O\n0.741934 0.842363 0.665606 O\n0.241945 0.832795 0.134932 O\n0.241949 0.129437 0.354476 O\n",
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{
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"created_at": "2022-09-04T14:38:14.235775Z",
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"structure_string": "Ba2 Ti3 Tl2 O10\n1.0\n3.971343 0.002938 -0.075525\n0.000412 3.978025 0.002816\n-0.393498 -0.250935 16.329087\nBa Ti Tl O\n2 3 2 10\ndirect\n0.820672 0.773015 0.258569 Ba\n0.283489 0.297584 0.738628 Ba\n0.827631 0.805725 0.859513 Ti\n0.303821 0.243992 0.134395 Ti\n0.746453 0.320806 0.995285 Ti\n0.171831 0.278857 0.435945 Tl\n0.771826 0.787983 0.585997 Tl\n0.305143 0.794024 0.139638 O\n0.339073 0.296204 0.248887 O\n0.804989 0.294476 0.114918 O\n0.298566 0.307253 0.007944 O\n0.761018 0.796552 0.726817 O\n0.276087 0.803831 0.846824 O\n0.510516 0.780140 0.471316 O\n0.783716 0.304950 0.868605 O\n0.052264 0.287503 0.584798 O\n0.792423 0.808384 0.974974 O\n",
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"structure_string": "Ca4 Mn4 O8\n1.0\n3.374689 -0.043237 0.100425\n0.913949 7.473223 0.178126\n0.828360 1.312990 8.639946\nCa Mn O\n4 4 8\ndirect\n0.754167 0.706535 0.974925 Ca\n0.245403 0.269750 0.039790 Ca\n0.711236 0.901663 0.329087 Ca\n0.278033 0.066748 0.700610 Ca\n0.705072 0.427251 0.719318 Mn\n0.081875 0.617387 0.666410 Mn\n0.818511 0.306287 0.362004 Mn\n0.323843 0.581798 0.286491 Mn\n0.664642 0.430522 0.160863 O\n0.777009 0.261993 0.577745 O\n0.188824 0.705098 0.454010 O\n0.323074 0.543604 0.857268 O\n0.804770 0.208586 0.876264 O\n0.840447 0.843399 0.716783 O\n0.181308 0.789489 0.133927 O\n0.172851 0.114263 0.305174 O\n",
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"structure_string": "Cu6 P2 S8\n1.0\n6.101212 0.000000 0.000000\n0.000000 6.350443 0.000000\n0.000000 0.000000 7.285544\nCu P S\n6 2 8\ndirect\n0.912632 0.824324 0.253272 Cu\n0.412632 0.175675 0.246728 Cu\n0.412632 0.175675 0.753271 Cu\n0.912632 0.824324 0.746728 Cu\n0.404051 0.651223 0.500000 Cu\n0.904051 0.348777 0.000000 Cu\n0.401662 0.674564 0.000000 P\n0.901662 0.325435 0.500000 P\n0.286528 0.832204 0.762909 S\n0.786528 0.167795 0.737090 S\n0.781088 0.634818 0.500000 S\n0.281088 0.365181 0.000000 S\n0.786528 0.167795 0.262909 S\n0.286528 0.832204 0.237090 S\n0.745636 0.679066 0.000000 S\n0.245636 0.320933 0.500000 S\n",
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}