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{
"id": "jvasp-112503",
"created_at": "2022-09-04T14:38:41.381347Z",
"updated_at": "2022-09-04T14:38:41.381368Z",
"structure_string": "Li8 Mn6 O14\n1.0\n2.959000 -0.004377 0.086217\n1.432840 6.194973 0.619449\n0.023258 0.013211 13.559733\nLi Mn O\n8 6 14\ndirect\n0.678818 0.660649 0.429619 Li\n0.565595 0.214764 0.140671 Li\n0.434407 0.785235 0.859329 Li\n0.067385 0.935396 0.296538 Li\n0.000000 0.500000 0.000000 Li\n0.932617 0.064602 0.703462 Li\n0.321184 0.339350 0.570382 Li\n0.000000 -0.000000 0.500000 Li\n0.800528 0.576128 0.220779 Mn\n0.199473 0.423871 0.779221 Mn\n0.733127 0.143412 0.926897 Mn\n0.382465 0.278572 0.365638 Mn\n0.617536 0.721427 0.634362 Mn\n0.266874 0.856587 0.073104 Mn\n0.575403 0.451243 0.889708 O\n0.657490 0.882717 0.178479 O\n0.094047 0.728960 0.735662 O\n0.108557 0.165956 0.037581 O\n0.209035 0.598970 0.322555 O\n0.790967 0.401029 0.677445 O\n0.342511 0.117282 0.821521 O\n0.522633 0.990385 0.390178 O\n0.891444 0.834043 0.962420 O\n0.905954 0.271039 0.264338 O\n0.153827 0.678713 0.547074 O\n0.477368 0.009613 0.609822 O\n0.424598 0.548756 0.110292 O\n0.846174 0.321286 0.452927 O\n",
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{
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"structure_string": "Nb1 F2\n1.0\n2.522767 -0.636892 0.339994\n-0.998425 -4.062768 -0.160237\n0.569924 0.014007 -4.148134\nNb F\n1 2\ndirect\n0.032455 0.173931 0.793688 Nb\n0.032484 0.173971 0.293678 F\n0.032482 0.673930 0.793725 F\n",
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{
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"updated_at": "2022-09-04T14:38:41.386242Z",
"structure_string": "La1 B1 O3\n1.0\n3.618725 0.000000 0.000000\n-0.000000 3.618725 0.000000\n-0.000000 -0.000000 3.618725\nLa B O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 La\n0.500001 0.500001 0.500001 B\n0.500001 0.500001 0.000000 O\n0.500001 0.000000 0.500001 O\n0.000000 0.500001 0.500001 O\n",
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"formula_full": "La1 B1 O3",
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"formula_anonymous": "ABC3",
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"spacegroup": 221
},
{
"id": "jvasp-112803",
"created_at": "2022-09-04T14:38:41.389144Z",
"updated_at": "2022-09-04T14:38:41.389171Z",
"structure_string": "Li8 V4 O8 F4\n1.0\n5.010987 -0.007105 1.228998\n1.098876 6.610153 -2.556925\n0.011811 -0.002695 6.372120\nLi V O F\n8 4 8 4\ndirect\n0.168892 0.830418 0.508094 Li\n0.668892 0.330416 0.008093 Li\n0.998713 0.001836 0.995028 Li\n0.498714 0.501833 0.495027 Li\n0.543403 0.895454 0.752488 Li\n0.043404 0.395452 0.252486 Li\n0.837645 0.172214 0.493199 Li\n0.337645 0.672213 0.993199 Li\n0.754907 0.747387 0.260194 V\n0.944790 0.602310 0.740097 V\n0.254906 0.247388 0.760194 V\n0.444796 0.102312 0.240098 V\n0.835842 0.666157 0.503552 O\n0.335840 0.166156 0.003549 O\n0.495848 0.003237 0.489447 O\n0.995851 0.503239 0.989446 O\n0.734114 0.242360 0.249364 O\n0.234118 0.742363 0.749364 O\n0.170307 0.331718 0.506819 O\n0.670310 0.831714 0.006816 O\n0.932947 0.094246 0.744497 F\n0.082588 0.912669 0.257235 F\n0.582589 0.412673 0.757237 F\n0.432948 0.594249 0.244498 F\n",
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{
"id": "jvasp-114591",
"created_at": "2022-09-04T14:38:41.390274Z",
"updated_at": "2022-09-04T14:38:41.390295Z",
"structure_string": "Ba1 Zn1 Te1\n1.0\n4.839946 -0.762896 0.000000\n-1.473697 6.374817 0.000000\n0.000000 0.000000 5.117389\nBa Zn Te\n1 1 1\ndirect\n-0.218516 -0.222951 0.000000 Ba\n0.105837 0.425648 0.000000 Zn\n0.478632 0.171340 0.000000 Te\n",
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{
"id": "jvasp-112445",
"created_at": "2022-09-04T14:38:41.395289Z",
"updated_at": "2022-09-04T14:38:41.395317Z",
"structure_string": "Hf4 Cr4 O12\n1.0\n4.842573 -0.000000 0.000000\n0.000000 5.299980 0.000000\n-0.000000 -0.000000 9.191921\nHf Cr O\n4 4 12\ndirect\n0.046209 0.952762 0.750000 Hf\n0.453791 0.452762 0.750000 Hf\n0.546209 0.547238 0.250000 Hf\n0.953790 0.047238 0.250000 Hf\n-0.000000 0.500000 0.500000 Cr\n0.500000 0.000000 0.500000 Cr\n-0.000000 0.500000 -0.000000 Cr\n0.500000 0.000000 -0.000000 Cr\n0.710290 0.280233 0.399553 O\n0.710290 0.280233 0.100447 O\n0.289709 0.719767 0.899553 O\n0.289709 0.719767 0.600447 O\n0.210290 0.219767 0.899553 O\n0.316061 0.872079 0.250000 O\n0.816060 0.627921 0.750000 O\n0.683939 0.127922 0.750000 O\n0.789709 0.780233 0.100447 O\n0.183939 0.372078 0.250000 O\n0.210290 0.219767 0.600447 O\n0.789709 0.780233 0.399553 O\n",
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"formula_full": "Hf4 Cr4 O12",
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"formula_anonymous": "ABC3",
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{
"id": "jvasp-112621",
"created_at": "2022-09-04T14:38:41.396161Z",
"updated_at": "2022-09-04T14:38:41.396178Z",
"structure_string": "Ti3 Cr3 Si12\n1.0\n12.804066 -0.000000 0.000000\n-0.000000 4.010859 2.277565\n-0.000000 0.003065 4.627779\nTi Cr Si\n3 3 12\ndirect\n0.248767 -0.000001 0.500000 Ti\n0.585999 0.500000 0.500000 Ti\n0.082008 0.500000 0.500000 Ti\n0.914111 0.500000 -0.000001 Cr\n0.420147 0.500000 -0.000001 Cr\n0.749200 -0.000001 0.500000 Cr\n0.253261 0.677792 0.157806 Si\n0.752476 0.670780 0.157053 Si\n0.417982 0.165676 0.668517 Si\n0.912877 0.159934 0.666306 Si\n0.078852 0.835116 0.844087 Si\n0.752476 0.329219 0.842946 Si\n0.253261 0.322207 0.842193 Si\n0.584436 0.158631 0.161479 Si\n0.417982 0.834323 0.331482 Si\n0.912877 0.840065 0.333694 Si\n0.584436 0.841368 0.838521 Si\n0.078852 0.164883 0.155912 Si\n",
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{
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"created_at": "2022-09-04T14:38:41.397955Z",
"updated_at": "2022-09-04T14:38:41.397984Z",
"structure_string": "Nb6 Zn1 S8\n1.0\n9.713518 0.000000 -0.000000\n-4.856759 8.412154 0.000000\n-0.000000 0.000000 3.384998\nNb Zn S\n6 1 8\ndirect\n0.112697 0.627238 0.249628 Nb\n0.514540 0.887303 0.249628 Nb\n0.372762 0.485459 0.249628 Nb\n0.887303 0.372762 0.750372 Nb\n0.485460 0.112697 0.750372 Nb\n0.627238 0.514540 0.750372 Nb\n0.000000 0.000000 0.500000 Zn\n0.666667 0.333333 0.250103 S\n0.333333 0.666667 0.749897 S\n0.285856 0.941929 0.250566 S\n0.656073 0.714144 0.250566 S\n0.058070 0.343926 0.250566 S\n0.714144 0.058071 0.749434 S\n0.343926 0.285856 0.749434 S\n0.941929 0.656073 0.749434 S\n",
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{
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"updated_at": "2022-09-04T14:38:41.402232Z",
"structure_string": "Li1 H1 S1\n1.0\n4.158449 -0.440954 0.000000\n-2.512573 3.762297 0.000000\n0.000000 0.000000 4.330880\nLi H S\n1 1 1\ndirect\n0.018930 0.334513 0.000000 Li\n0.197819 -0.018710 0.000000 H\n0.783253 0.684199 0.000000 S\n",
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{
"id": "jvasp-112501",
"created_at": "2022-09-04T14:38:41.403420Z",
"updated_at": "2022-09-04T14:38:41.403446Z",
"structure_string": "Li4 Mn3 Co1 O8\n1.0\n4.967984 0.019784 2.929327\n1.682844 4.674323 2.929327\n0.028031 0.019784 5.767239\nLi Mn Co O\n4 3 1 8\ndirect\n0.499999 0.499999 0.500002 Li\n-0.000000 0.500000 0.000001 Li\n0.500000 -0.000000 0.000001 Li\n0.000000 -0.000000 0.500000 Li\n0.500000 -0.000001 0.500001 Mn\n-0.000000 0.499999 0.500001 Mn\n0.499999 0.499999 0.000001 Mn\n0.000000 0.000000 0.000000 Co\n0.256804 0.256804 0.256805 O\n0.755912 0.262693 0.755915 O\n0.262694 0.755911 0.755914 O\n0.755912 0.755911 0.262696 O\n0.743195 0.743194 0.743198 O\n0.244087 0.737305 0.244088 O\n0.737305 0.244086 0.244089 O\n0.244087 0.244086 0.737307 O\n",
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"updated_at": "2022-09-04T14:38:41.414611Z",
"structure_string": "Li2 P1 H1\n1.0\n-2.117110 3.219015 1.909938\n2.117110 -3.219015 1.909938\n2.117110 3.219015 -1.909938\nLi P H\n2 1 1\ndirect\n0.320100 0.607373 0.712724 Li\n0.894647 0.607373 0.287274 Li\n0.094204 0.094204 -0.000000 P\n0.471045 0.471045 -0.000000 H\n",
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]
}