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{
"id": "jvasp-45963",
"created_at": "2022-09-04T14:38:04.932949Z",
"updated_at": "2022-09-04T14:38:04.932972Z",
"structure_string": "Li2 Ge2 P2 C2 O14\n1.0\n0.000000 5.030571 -0.055922\n6.214715 0.000000 0.000000\n0.000000 -0.583514 -8.499137\nLi Ge P C O\n2 2 2 2 14\ndirect\n0.776090 0.466363 0.179960 Li\n0.223911 0.966363 0.820040 Li\n0.213885 0.252500 0.337633 Ge\n0.786116 0.752500 0.662367 Ge\n0.271439 0.757555 0.428555 P\n0.728562 0.257555 0.571445 P\n0.286101 0.249928 0.062911 C\n0.713900 0.749927 0.937089 C\n0.524024 0.767223 0.819815 O\n0.796710 0.452496 0.675538 O\n0.811544 0.061120 0.671620 O\n0.127776 0.764766 0.584451 O\n0.423367 0.250687 0.525788 O\n0.576633 0.750686 0.474213 O\n0.475976 0.267223 0.180185 O\n0.188456 0.561120 0.328381 O\n0.203290 0.952496 0.324462 O\n0.952014 0.757770 0.876111 O\n0.047987 0.257770 0.123889 O\n0.670925 0.721739 0.076154 O\n0.872224 0.264766 0.415550 O\n0.329076 0.221740 0.923847 O\n",
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{
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"updated_at": "2022-09-04T14:38:05.645145Z",
"structure_string": "Na2 V2 Si2 C2 O14\n1.0\n0.000000 5.385802 -0.202287\n6.401461 0.000000 0.000000\n0.000000 -0.174690 -8.485385\nNa V Si C O\n2 2 2 2 14\ndirect\n0.851357 0.518100 0.164283 Na\n0.148642 0.018100 0.835718 Na\n0.228023 0.234099 0.337711 V\n0.771976 0.734099 0.662289 V\n0.276453 0.738682 0.433795 Si\n0.723547 0.238682 0.566206 Si\n0.380975 0.258216 0.063095 C\n0.619024 0.758216 0.936906 C\n0.475651 0.769874 0.813742 O\n0.768518 0.454548 0.666737 O\n0.786409 0.038039 0.672142 O\n0.086450 0.749323 0.588179 O\n0.435662 0.244302 0.501805 O\n0.564338 0.744302 0.498196 O\n0.524348 0.269874 0.186259 O\n0.213590 0.538039 0.327859 O\n0.231482 0.954548 0.333264 O\n0.857366 0.739076 0.888298 O\n0.142634 0.239076 0.111703 O\n0.554117 0.757889 0.076907 O\n0.913550 0.249323 0.411822 O\n0.445882 0.257889 0.923094 O\n",
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{
"id": "jvasp-44576",
"created_at": "2022-09-04T14:38:13.287403Z",
"updated_at": "2022-09-04T14:38:13.287434Z",
"structure_string": "Na2 Cr2 As2 C2 O14\n1.0\n0.000000 5.286901 -0.240196\n6.404150 0.000000 0.000000\n0.000000 -0.011710 -8.766140\nNa Cr As C O\n2 2 2 2 14\ndirect\n0.840932 0.525623 0.176037 Na\n0.159067 0.025623 0.823964 Na\n0.231978 0.238258 0.328207 Cr\n0.768021 0.738258 0.671794 Cr\n0.294134 0.744296 0.433239 As\n0.705866 0.244296 0.566762 As\n0.372276 0.253605 0.065098 C\n0.627724 0.753605 0.934903 C\n0.482040 0.764710 0.814209 O\n0.774869 0.452659 0.683181 O\n0.787243 0.040266 0.679772 O\n0.112591 0.755367 0.599606 O\n0.390314 0.236160 0.525579 O\n0.609686 0.736160 0.474421 O\n0.517960 0.264710 0.185791 O\n0.212757 0.540266 0.320229 O\n0.225130 0.952659 0.316820 O\n0.869320 0.744911 0.887284 O\n0.130680 0.244911 0.112717 O\n0.548803 0.746293 0.069035 O\n0.887409 0.255367 0.400394 O\n0.451197 0.246293 0.930966 O\n",
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],
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"density": 3.064755564393397,
"density_atomic": 0.07411826568950977,
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{
"id": "jvasp-45961",
"created_at": "2022-09-04T14:38:01.169381Z",
"updated_at": "2022-09-04T14:38:01.169399Z",
"structure_string": "Li2 Si2 P2 C2 O14\n1.0\n0.000000 4.949509 -0.048855\n6.007036 0.000000 0.000000\n0.000000 -0.609168 -8.426658\nLi Si P C O\n2 2 2 2 14\ndirect\n0.777067 0.469727 0.181778 Li\n0.222933 0.969727 0.818222 Li\n0.215204 0.252823 0.336607 Si\n0.784795 0.752823 0.663393 Si\n0.267912 0.757555 0.432121 P\n0.732088 0.257555 0.567878 P\n0.290241 0.248624 0.071358 C\n0.709759 0.748624 0.928642 C\n0.523558 0.764293 0.806866 O\n0.790662 0.460664 0.672182 O\n0.801334 0.053865 0.671587 O\n0.099481 0.761600 0.579594 O\n0.428062 0.253850 0.509498 O\n0.571938 0.753850 0.490502 O\n0.476442 0.264292 0.193133 O\n0.198666 0.553865 0.328413 O\n0.209338 0.960664 0.327818 O\n0.949977 0.754707 0.865638 O\n0.050023 0.254707 0.134361 O\n0.664981 0.724445 0.068852 O\n0.900519 0.261600 0.420406 O\n0.335019 0.224445 0.931147 O\n",
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"formula_full": "Li2 Si2 P2 C2 O14",
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{
"id": "jvasp-45940",
"created_at": "2022-09-04T14:38:00.759059Z",
"updated_at": "2022-09-04T14:38:00.759084Z",
"structure_string": "Na2 V2 P2 C2 O14\n1.0\n0.000000 5.171873 -0.271637\n6.234166 0.000000 0.000000\n0.000000 0.062932 -8.865331\nNa V P C O\n2 2 2 2 14\ndirect\n0.820169 0.547414 0.214213 Na\n0.179830 0.047413 0.785787 Na\n0.233571 0.226668 0.329972 V\n0.766428 0.726669 0.670028 V\n0.297277 0.734860 0.439547 P\n0.702722 0.234859 0.560454 P\n0.365686 0.258866 0.067465 C\n0.634313 0.758867 0.932535 C\n0.476243 0.764049 0.819299 O\n0.759010 0.436546 0.660130 O\n0.774040 0.043424 0.658336 O\n0.125703 0.749215 0.585950 O\n0.414273 0.233244 0.527639 O\n0.585726 0.733244 0.472361 O\n0.523756 0.264048 0.180701 O\n0.225959 0.543424 0.341665 O\n0.240989 0.936546 0.339870 O\n0.880104 0.752932 0.874010 O\n0.119895 0.252931 0.125991 O\n0.569228 0.754938 0.067862 O\n0.874296 0.249215 0.414050 O\n0.430771 0.254938 0.932139 O\n",
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},
{
"id": "jvasp-119527",
"created_at": "2022-09-04T14:38:35.003812Z",
"updated_at": "2022-09-04T14:38:35.003842Z",
"structure_string": "La2 Mg2 Fe2 Ni2 O12\n1.0\n5.237982 -0.020401 0.001268\n0.037470 7.474937 -0.023814\n-0.001207 0.017385 5.376351\nLa Mg Fe Ni O\n2 2 2 2 12\ndirect\n0.994233 0.249871 0.032073 La\n0.494240 0.749839 0.467919 La\n0.528906 0.248462 0.556742 Mg\n0.028925 0.748552 0.943276 Mg\n0.502194 0.500972 0.997047 Fe\n0.002221 0.000974 0.502947 Fe\n0.001931 0.498865 0.498724 Ni\n0.501950 0.998857 0.001289 Ni\n0.766738 0.054906 0.756307 O\n0.266606 0.554956 0.743803 O\n0.431300 0.254693 0.954866 O\n0.931312 0.754703 0.545127 O\n0.698206 0.054513 0.301999 O\n0.128101 0.244513 0.486268 O\n0.687589 0.443256 0.292887 O\n0.187590 0.943275 0.207065 O\n0.260883 0.949910 0.738748 O\n0.628119 0.744494 0.013725 O\n0.198208 0.554531 0.198063 O\n0.760743 0.449863 0.761134 O\n",
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{
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"created_at": "2022-09-04T14:36:41.156924Z",
"updated_at": "2022-09-04T14:36:41.156941Z",
"structure_string": "Ba1 Na1 Ti1 Nb1 O6\n1.0\n4.908953 -0.000000 2.834186\n1.636318 4.628206 2.834186\n-0.000000 -0.000000 5.668371\nBa Na Ti Nb O\n1 1 1 1 6\ndirect\n0.500000 0.500000 0.500001 Ba\n0.000000 0.000000 0.000000 Na\n0.750000 0.750001 0.750001 Ti\n0.250000 0.250000 0.250000 Nb\n0.997674 0.502326 0.502327 O\n0.502325 0.997675 0.997675 O\n0.997674 0.502326 0.997675 O\n0.502325 0.997675 0.502326 O\n0.502325 0.502326 0.997675 O\n0.997674 0.997675 0.502327 O\n",
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{
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"structure_string": "Ba1 Sr1 Zn1 W1 O6\n1.0\n4.965081 0.000000 2.866591\n1.655027 4.681123 2.866591\n0.000000 0.000000 5.733181\nBa Sr Zn W O\n1 1 1 1 6\ndirect\n0.750001 0.750000 0.750000 Ba\n0.250000 0.250000 0.250000 Sr\n0.500000 0.500000 0.500000 Zn\n0.000000 0.000000 0.000000 W\n0.760689 0.239311 0.239311 O\n0.760690 0.760689 0.239311 O\n0.239311 0.760689 0.239311 O\n0.239311 0.239311 0.760689 O\n0.760689 0.239311 0.760689 O\n0.239311 0.760689 0.760689 O\n",
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{
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"updated_at": "2022-09-04T14:38:45.520222Z",
"structure_string": "La2 Mn2 Zn2 Fe2 O12\n1.0\n5.473068 0.000096 -0.000035\n0.000105 5.272940 -0.006828\n-0.000016 0.013985 7.536287\nLa Mn Zn Fe O\n2 2 2 2 12\ndirect\n0.005267 0.991840 0.250022 La\n0.494698 0.492165 0.750022 La\n0.500673 0.000578 0.499889 Mn\n0.999326 0.500503 -0.000109 Mn\n0.503620 0.529284 0.250268 Zn\n0.996382 0.029305 0.750277 Zn\n0.500992 0.000678 0.000433 Fe\n0.999003 0.500569 0.500425 Fe\n0.732278 0.735642 0.444203 O\n0.767680 0.235720 0.944184 O\n0.763259 0.228242 0.555413 O\n0.503004 0.927673 0.745253 O\n0.498102 0.139894 0.254982 O\n0.224048 0.226808 0.944377 O\n0.271168 0.719301 0.055131 O\n0.228865 0.219365 0.555144 O\n0.736758 0.728218 0.055410 O\n0.001901 0.639915 0.754987 O\n0.275916 0.726810 0.444441 O\n0.997052 0.427505 0.245252 O\n",
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{
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"created_at": "2022-09-04T14:38:40.930518Z",
"updated_at": "2022-09-04T14:38:40.930551Z",
"structure_string": "Nd2 Co2 Sb2 Pb2 O12\n1.0\n5.781385 0.000000 0.000000\n0.000000 4.644015 3.230815\n0.000000 0.047116 9.728293\nNd Co Sb Pb O\n2 2 2 2 12\ndirect\n0.807584 0.267683 0.247641 Nd\n0.192417 0.267683 0.747640 Nd\n0.738932 0.504163 0.497517 Co\n0.261069 0.504164 0.997517 Co\n0.740603 -0.000068 0.000742 Sb\n0.259398 -0.000068 0.500741 Sb\n0.726807 0.748062 0.747484 Pb\n0.273194 0.748061 0.247485 Pb\n0.019179 0.744224 0.041849 O\n0.980821 0.744225 0.541849 O\n0.778357 0.179246 0.752150 O\n0.221644 0.179245 0.252150 O\n0.735872 0.853137 0.246644 O\n0.553464 0.656717 0.049493 O\n0.962390 0.311486 0.963023 O\n0.037611 0.311485 0.463023 O\n0.548455 0.235359 0.453451 O\n0.446537 0.656717 0.549492 O\n0.264129 0.853138 0.746643 O\n0.451545 0.235359 0.953450 O\n",
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{
"id": "jvasp-117068",
"created_at": "2022-09-04T14:38:49.872900Z",
"updated_at": "2022-09-04T14:38:49.872928Z",
"structure_string": "La2 Mg2 Fe2 Cu2 O12\n1.0\n5.174842 0.125048 0.000034\n-0.207746 7.824519 -0.000279\n-0.000040 0.000192 5.355620\nLa Mg Fe Cu O\n2 2 2 2 12\ndirect\n0.989363 0.250566 0.040252 La\n0.489364 0.750569 0.459747 La\n0.533319 0.246471 0.559033 Mg\n0.033318 0.746472 0.940968 Mg\n0.501871 0.502500 0.992693 Fe\n0.001872 0.002500 0.507307 Fe\n0.496676 0.000193 0.004756 Cu\n0.996674 0.500194 0.495242 Cu\n0.769497 0.064292 0.761076 O\n0.269496 0.564293 0.738922 O\n0.427231 0.274566 0.949878 O\n0.927230 0.774566 0.550120 O\n0.697927 0.055878 0.306970 O\n0.139246 0.222649 0.485045 O\n0.680984 0.438406 0.293837 O\n0.180983 0.938406 0.206163 O\n0.263881 0.944476 0.737998 O\n0.639245 0.722649 0.014954 O\n0.197926 0.555878 0.193030 O\n0.763883 0.444475 0.761999 O\n",
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],
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"formula_full": "La2 Mg2 Fe2 Cu2 O12",
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{
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"created_at": "2022-09-04T14:36:13.800102Z",
"updated_at": "2022-09-04T14:36:13.800129Z",
"structure_string": "Ba1 La1 Cr1 Mo1 O6\n1.0\n4.874650 0.000000 2.814381\n1.624883 4.595865 2.814381\n-0.000000 -0.000000 5.628762\nBa La Cr Mo O\n1 1 1 1 6\ndirect\n0.750000 0.749999 0.750000 Ba\n0.250000 0.250000 0.250000 La\n0.000000 0.000000 0.000000 Cr\n0.500000 0.499999 0.500000 Mo\n0.752523 0.752522 0.247477 O\n0.247477 0.752522 0.247477 O\n0.752523 0.247477 0.247477 O\n0.247477 0.247477 0.752523 O\n0.752523 0.247477 0.752523 O\n0.247477 0.752522 0.752523 O\n",
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],
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"formula_full": "Ba1 La1 Cr1 Mo1 O6",
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}
]
}