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{
"id": "jvasp-103894",
"created_at": "2022-09-04T14:36:56.544669Z",
"updated_at": "2022-09-04T14:36:56.544689Z",
"structure_string": "Ca2 H4 C6 O8\n1.0\n3.755316 -0.020138 -0.232742\n-1.831304 6.037505 -0.441183\n0.393861 -0.437910 9.899662\nCa H C O\n2 4 6 8\ndirect\n0.439631 0.848903 0.495811 Ca\n0.939618 0.848880 0.995810 Ca\n0.621422 0.338776 0.844994 H\n0.121355 0.338771 0.344988 H\n0.643647 0.354289 0.663488 H\n0.143577 0.354302 0.163485 H\n0.970112 0.346670 0.251061 C\n0.470181 0.346668 0.751064 C\n0.637074 0.137074 0.224628 C\n0.844678 0.557320 0.266700 C\n0.344737 0.557316 0.766695 C\n0.137130 0.137075 0.724636 C\n0.262427 0.628138 0.661042 O\n0.328886 0.650079 0.888671 O\n0.828887 0.650091 0.388681 O\n0.039753 0.051860 0.599634 O\n0.539737 0.051849 0.099625 O\n0.971882 0.059661 0.824444 O\n0.471799 0.059661 0.324432 O\n0.762324 0.628139 0.161052 O\n",
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{
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"created_at": "2022-09-04T14:38:14.396268Z",
"updated_at": "2022-09-04T14:38:14.396298Z",
"structure_string": "Ho3 Mg3 In3\n1.0\n3.734198 -6.467821 0.000000\n3.734198 6.467821 0.000000\n0.000000 -0.000000 4.633184\nHo Mg In\n3 3 3\ndirect\n0.000000 0.566046 0.000000 Ho\n0.433954 0.433954 0.000000 Ho\n0.566046 0.000000 0.000000 Ho\n0.757653 0.757653 0.500000 Mg\n0.242347 0.000000 0.500000 Mg\n0.000000 0.242347 0.500000 Mg\n0.666667 0.333333 0.500000 In\n0.000000 0.000000 0.000000 In\n0.333333 0.666667 0.500000 In\n",
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{
"id": "jvasp-42489",
"created_at": "2022-09-04T14:38:32.028467Z",
"updated_at": "2022-09-04T14:38:32.028484Z",
"structure_string": "Mn6 O2 F10\n1.0\n-4.736059 4.736059 3.241860\n0.096690 4.807768 -3.205642\n-4.807768 -0.096690 -3.205642\nMn O F\n6 2 10\ndirect\n0.847730 0.678717 0.678717 Mn\n0.687805 0.334857 0.334857 Mn\n0.312196 0.665143 0.665143 Mn\n0.152271 0.321282 0.321282 Mn\n0.500000 0.000000 0.000000 Mn\n0.000000 0.000000 0.000000 Mn\n0.966614 0.216414 0.216414 O\n0.033387 0.783586 0.783586 O\n0.663600 0.633985 0.036040 F\n0.336401 0.963960 0.366014 F\n0.375620 0.420832 0.420832 F\n0.706402 0.093386 0.093386 F\n0.663600 0.036040 0.633985 F\n0.293599 0.906614 0.906614 F\n0.336401 0.366014 0.963960 F\n0.000000 0.307091 0.692908 F\n0.624381 0.579168 0.579168 F\n0.000000 0.692908 0.307091 F\n",
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{
"id": "jvasp-117234",
"created_at": "2022-09-04T14:38:51.895379Z",
"updated_at": "2022-09-04T14:38:51.895401Z",
"structure_string": "Mg8 Fe3 N8\n1.0\n8.143857 0.029550 2.230913\n1.134504 4.175904 0.000000\n-0.005692 0.001546 6.586352\nMg Fe N\n8 3 8\ndirect\n0.061750 0.969125 0.756477 Mg\n0.938250 0.030875 0.243523 Mg\n0.674792 0.662603 0.463934 Mg\n0.325208 0.337397 0.536065 Mg\n0.822673 0.588664 0.965652 Mg\n0.177327 0.411336 0.034347 Mg\n0.622003 0.189000 0.792102 Mg\n0.377997 0.811000 0.207897 Mg\n0.616290 0.191855 0.207719 Fe\n0.383710 0.808145 0.792281 Fe\n-0.000000 0.500000 0.500000 Fe\n0.201776 0.899111 0.014542 N\n0.798225 0.100889 0.985457 N\n0.347645 0.826177 0.544479 N\n0.652355 0.173823 0.455520 N\n0.591438 0.704280 0.813938 N\n0.408562 0.295719 0.186061 N\n0.067503 0.466248 0.744830 N\n0.932498 0.533751 0.255170 N\n",
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],
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{
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"created_at": "2022-09-04T14:35:46.362804Z",
"updated_at": "2022-09-04T14:35:46.362826Z",
"structure_string": "Ba4 Ge1 Pd1\n1.0\n-0.000000 4.819100 4.819100\n4.819100 -0.000000 4.819100\n4.819100 4.819100 0.000000\nBa Ge Pd\n4 1 1\ndirect\n0.125575 0.624808 0.624808 Ba\n0.624808 0.624808 0.624808 Ba\n0.624808 0.125575 0.624808 Ba\n0.624808 0.624808 0.125575 Ba\n0.250000 0.250000 0.250000 Ge\n0.000000 0.000000 0.000000 Pd\n",
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"volume": 223.83490446374196,
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"formula_full": "Ba4 Ge1 Pd1",
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"formula_anonymous": "ABC4",
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"spacegroup": 216
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{
"id": "jvasp-66435",
"created_at": "2022-09-04T14:36:13.074949Z",
"updated_at": "2022-09-04T14:36:13.074973Z",
"structure_string": "Ba4 Li1 Os1\n1.0\n0.000000 4.819435 4.819435\n4.819435 -0.000000 4.819435\n4.819435 4.819435 0.000000\nBa Li Os\n4 1 1\ndirect\n0.120927 0.626358 0.626358 Ba\n0.626358 0.626358 0.626358 Ba\n0.626358 0.120927 0.626358 Ba\n0.626358 0.626358 0.120927 Ba\n0.250000 0.250000 0.250000 Li\n0.000000 0.000000 0.000000 Os\n",
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"volume": 223.88158739562633,
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{
"id": "jvasp-66660",
"created_at": "2022-09-04T14:36:14.623746Z",
"updated_at": "2022-09-04T14:36:14.623776Z",
"structure_string": "Ba4 Ta1 Fe1\n1.0\n0.000000 4.819521 4.819521\n4.819521 0.000000 4.819521\n4.819521 4.819521 -0.000000\nBa Ta Fe\n4 1 1\ndirect\n0.125624 0.624792 0.624792 Ba\n0.624792 0.624792 0.624792 Ba\n0.624792 0.125624 0.624792 Ba\n0.624792 0.624792 0.125624 Ba\n0.000000 0.000000 0.000000 Ta\n0.250000 0.250000 0.250000 Fe\n",
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{
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"created_at": "2022-09-04T14:37:42.675458Z",
"updated_at": "2022-09-04T14:37:42.675477Z",
"structure_string": "Cr4 Cu2 S8\n1.0\n5.902734 0.000000 3.407945\n1.967578 5.565151 3.407945\n0.000000 0.000000 6.815890\nCr Cu S\n4 2 8\ndirect\n0.500000 0.500000 0.499999 Cr\n0.500000 0.500000 -0.000001 Cr\n0.500000 -0.000000 0.500000 Cr\n0.000000 0.500000 0.500000 Cr\n0.875000 0.875000 0.874999 Cu\n0.125000 0.125000 0.125000 Cu\n0.742774 0.742774 0.742774 S\n0.257225 0.257225 0.728325 S\n0.257226 0.728325 0.257225 S\n0.728324 0.257225 0.257225 S\n0.742774 0.271675 0.742774 S\n0.271675 0.742774 0.742774 S\n0.257225 0.257225 0.257225 S\n0.742774 0.742774 0.271674 S\n",
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"created_at": "2022-09-04T14:35:47.323961Z",
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{
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"created_at": "2022-09-04T14:37:53.569505Z",
"updated_at": "2022-09-04T14:37:53.569539Z",
"structure_string": "Ce1 Sc3 B4 O12\n1.0\n6.117905 -0.018740 -1.456156\n-1.839273 5.834911 -1.456156\n-0.013786 -0.018740 6.288797\nCe Sc B O\n1 3 4 12\ndirect\n0.000000 0.000000 0.000000 Ce\n-0.000000 0.451758 0.548242 Sc\n0.548242 -0.000000 0.451758 Sc\n0.451759 0.548241 -0.000001 Sc\n0.500000 0.500000 0.500000 B\n0.500000 0.049816 0.950184 B\n0.950184 0.500000 0.049816 B\n0.049817 0.950183 0.500000 B\n0.500000 0.640249 0.359750 O\n0.359750 0.500000 0.640249 O\n0.640250 0.359750 0.500000 O\n0.627373 0.030729 0.799170 O\n0.030729 0.799170 0.627373 O\n0.969272 0.372627 0.200829 O\n0.200830 0.969271 0.372626 O\n0.372627 0.200830 0.969271 O\n0.500001 0.909741 0.090258 O\n0.090258 0.500000 0.909742 O\n0.909742 0.090258 0.500000 O\n0.799171 0.627373 0.030728 O\n",
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{
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"updated_at": "2022-09-04T14:38:07.149195Z",
"structure_string": "Li4 Ti2 Cr4 O12\n1.0\n5.090984 0.003029 0.000000\n-2.555784 4.402964 -0.000000\n0.000000 0.000000 9.987324\nLi Ti Cr O\n4 2 4 12\ndirect\n0.147994 0.647993 0.750000 Li\n0.352006 0.852005 0.250000 Li\n0.647994 0.147994 0.750000 Li\n0.852005 0.352006 0.250000 Li\n0.000000 0.000000 0.000000 Ti\n0.500000 0.500000 0.500000 Ti\n0.163623 0.836376 0.500000 Cr\n0.336377 0.663622 0.000000 Cr\n0.663622 0.336377 0.000000 Cr\n0.836377 0.163623 0.500000 Cr\n0.505946 0.165724 0.392588 O\n0.828949 0.828949 0.398959 O\n0.334276 0.994053 0.892588 O\n0.671051 0.671050 0.898959 O\n0.328949 0.328949 0.101041 O\n0.005946 0.665724 0.107412 O\n0.494054 0.834275 0.607412 O\n0.165724 0.505946 0.392588 O\n0.994053 0.334276 0.892588 O\n0.834275 0.494054 0.607412 O\n0.171051 0.171051 0.601041 O\n0.665724 0.005946 0.107412 O\n",
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}