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{
"id": "jvasp-11821",
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"updated_at": "2022-09-04T14:38:14.672663Z",
"structure_string": "V2 Sb4 O10\n1.0\n4.682554 0.000000 -1.247466\n-0.110344 5.488084 -0.414191\n-0.044339 0.100502 9.245638\nV Sb O\n2 4 10\ndirect\n0.635293 0.250000 -0.000000 V\n0.364707 0.750000 -0.000000 V\n0.112873 0.341034 0.677023 Sb\n0.435851 0.158965 0.322977 Sb\n0.887126 0.658965 0.322977 Sb\n0.564149 0.841034 0.677023 Sb\n0.392983 0.153539 0.585080 O\n0.807903 0.346461 0.414920 O\n0.607017 0.846460 0.414920 O\n0.192097 0.653538 0.585080 O\n0.434468 0.484548 0.856939 O\n0.577528 0.015452 0.143061 O\n0.028414 0.750000 0.000000 O\n0.971586 0.250000 -0.000000 O\n0.422472 0.984547 0.856939 O\n0.565533 0.515451 0.143061 O\n",
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{
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"structure_string": "Sn4 P2 Cl2 O8\n1.0\n4.773511 0.000000 0.000000\n-2.386756 4.468739 0.000000\n0.000000 0.000000 13.403598\nSn P Cl O\n4 2 2 8\ndirect\n0.224491 0.393170 0.109838 Sn\n0.831320 0.606830 0.609838 Sn\n0.831320 0.606830 0.890162 Sn\n0.224491 0.393170 0.390162 Sn\n0.919650 0.730165 0.250000 P\n0.189485 0.269835 0.750000 P\n0.453249 0.000000 0.000000 Cl\n0.453249 0.000000 0.500000 Cl\n0.726888 0.600652 0.153820 O\n0.549858 0.350008 0.750000 O\n0.073047 0.079308 0.250000 O\n0.126236 0.399348 0.846180 O\n0.726888 0.600652 0.346180 O\n0.126236 0.399348 0.653821 O\n0.199850 0.649992 0.250000 O\n0.993738 0.920692 0.750000 O\n",
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{
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"created_at": "2022-09-04T14:38:29.166480Z",
"updated_at": "2022-09-04T14:38:29.166505Z",
"structure_string": "Al12 Mo4\n1.0\n3.536952 -0.000036 -0.775376\n-0.369881 8.254596 -1.687205\n-0.003518 0.008621 8.440310\nAl Mo\n12 4\ndirect\n0.126272 0.657058 0.252560 Al\n0.125401 0.147081 0.250831 Al\n0.624906 0.397645 0.249823 Al\n0.748729 0.695164 0.497442 Al\n0.503021 0.598187 0.006091 Al\n0.749595 0.205140 0.499162 Al\n0.371981 0.754042 0.743913 Al\n0.003588 0.858506 0.007182 Al\n0.497694 0.094220 0.995423 Al\n0.250093 0.954579 0.500179 Al\n0.377300 0.258007 0.754566 Al\n0.871414 0.493722 0.742825 Al\n0.010704 0.356331 0.021495 Mo\n0.632829 0.904942 0.265750 Mo\n0.242171 0.447281 0.484253 Mo\n0.864295 0.995894 0.728505 Mo\n",
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{
"id": "jvasp-29478",
"created_at": "2022-09-04T14:38:29.036109Z",
"updated_at": "2022-09-04T14:38:29.036125Z",
"structure_string": "In2 Sb4 S8 Br2\n1.0\n3.858055 0.000000 0.672035\n1.241106 9.329718 4.285274\n0.020068 -0.014590 11.295078\nIn Sb S Br\n2 4 8 2\ndirect\n0.662559 0.105994 0.568887 In\n0.337441 0.894006 0.431113 In\n0.293843 0.312325 0.099990 Sb\n0.951879 0.314645 0.781596 Sb\n0.048121 0.685355 0.218404 Sb\n0.706157 0.687675 0.900011 Sb\n0.679635 0.507240 0.133490 S\n0.102106 0.822238 0.973551 S\n0.213939 0.920347 0.651778 S\n0.535396 0.139721 0.789487 S\n0.786062 0.079654 0.348222 S\n0.464605 0.860280 0.210513 S\n0.320366 0.492761 0.866510 S\n0.897894 0.177763 0.026449 S\n0.897982 0.671344 0.532692 Br\n0.102018 0.328657 0.467308 Br\n",
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"elements": [
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{
"id": "jvasp-46429",
"created_at": "2022-09-04T14:38:19.055538Z",
"updated_at": "2022-09-04T14:38:19.055564Z",
"structure_string": "Li4 Al1 Cr3 O8\n1.0\n5.037104 -0.000191 -0.000117\n-0.839038 4.971559 -0.008056\n-0.000955 -1.692526 5.563966\nLi Al Cr O\n4 1 3 8\ndirect\n0.750854 0.000304 0.875968 Li\n0.252670 0.998179 0.625589 Li\n0.747328 0.001821 0.374410 Li\n0.249144 0.999695 0.124031 Li\n0.499999 0.500000 -0.000001 Al\n0.999870 0.499267 0.751679 Cr\n0.499999 0.500000 0.500000 Cr\n0.000128 0.500732 0.248320 Cr\n0.624195 0.277044 0.702122 O\n0.375036 0.721039 0.813285 O\n0.128161 0.273579 0.443027 O\n0.871837 0.726421 0.556972 O\n0.624962 0.278961 0.186714 O\n0.375803 0.722955 0.297878 O\n0.140682 0.277090 0.944646 O\n0.859316 0.722910 0.055354 O\n",
"nsites": 16,
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"density_atomic": 0.11488925837852358,
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{
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"created_at": "2022-09-04T14:38:19.071663Z",
"updated_at": "2022-09-04T14:38:19.071686Z",
"structure_string": "B2 H12 N2\n1.0\n5.360421 0.000000 0.000000\n0.000000 4.975483 0.000000\n0.000000 0.000000 4.727991\nB H N\n2 12 2\ndirect\n0.500000 0.188687 0.675622 B\n0.000000 0.688686 0.324378 B\n0.500000 0.162013 0.416859 H\n0.500000 0.543312 0.955187 H\n0.000000 0.043312 0.044813 H\n0.812139 0.588626 0.222314 H\n0.187861 0.588626 0.222314 H\n0.844392 0.095564 0.342799 H\n0.155608 0.095564 0.342799 H\n0.000000 0.662013 0.583141 H\n0.655608 0.595564 0.657201 H\n0.344392 0.595564 0.657201 H\n0.687861 0.088626 0.777686 H\n0.312139 0.088626 0.777686 H\n0.500000 0.502808 0.741624 N\n0.000000 0.002808 0.258376 N\n",
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{
"id": "jvasp-20894",
"created_at": "2022-09-04T14:38:29.028358Z",
"updated_at": "2022-09-04T14:38:29.028395Z",
"structure_string": "Ce4 Mg4 Si8\n1.0\n4.170242 -0.000000 -0.479741\n-0.055189 4.169877 -0.479741\n0.051418 0.052103 18.812190\nCe Mg Si\n4 4 8\ndirect\n0.703124 0.953125 0.906249 Ce\n0.453125 0.203125 0.406249 Ce\n0.296875 0.046875 0.093751 Ce\n0.546875 0.796875 0.593751 Ce\n0.624906 0.374905 0.749811 Mg\n0.375094 0.625095 0.250189 Mg\n0.125094 0.875094 0.750189 Mg\n0.874905 0.124906 0.249811 Mg\n0.076911 0.326911 0.653821 Si\n0.173089 0.423088 0.846179 Si\n0.826911 0.576911 0.153821 Si\n0.923088 0.673089 0.346179 Si\n0.014312 0.264312 0.528623 Si\n0.764311 0.514312 0.028623 Si\n0.985688 0.735688 0.471377 Si\n0.235688 0.485688 0.971377 Si\n",
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{
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"created_at": "2022-09-04T14:38:19.130817Z",
"updated_at": "2022-09-04T14:38:19.130850Z",
"structure_string": "K8 P8\n1.0\n6.067697 0.000000 0.000000\n0.000000 6.492230 0.000000\n0.000000 0.000000 11.233107\nK P\n8 8\ndirect\n0.397929 0.382278 0.914945 K\n0.897929 0.117722 0.085055 K\n0.602072 0.882278 0.585056 K\n0.102071 0.617722 0.414945 K\n0.668209 0.661483 0.221623 K\n0.168209 0.838517 0.778378 K\n0.331791 0.161483 0.278377 K\n0.831792 0.338517 0.721623 K\n0.169182 0.685424 0.105092 P\n0.669182 0.814576 0.894909 P\n0.830819 0.185424 0.394909 P\n0.330819 0.314576 0.605092 P\n0.904487 0.577098 0.972085 P\n0.404487 0.922902 0.027916 P\n0.095514 0.077098 0.527916 P\n0.595514 0.422902 0.472084 P\n",
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"created_at": "2022-09-04T14:38:08.066788Z",
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"structure_string": "Cr4 O12\n1.0\n5.101324 0.000000 0.000000\n0.000000 5.654633 0.000000\n0.000000 0.000000 7.940245\nCr O\n4 12\ndirect\n0.561032 0.262295 0.311287 Cr\n0.061032 0.237705 0.811288 Cr\n0.938967 0.762295 0.311287 Cr\n0.438967 0.737705 0.811288 Cr\n0.879894 0.202454 0.649961 O\n0.311101 0.028451 0.811287 O\n0.379895 0.297546 0.472614 O\n0.879894 0.202453 0.972614 O\n0.811101 0.471548 0.311287 O\n0.379895 0.297546 0.149960 O\n0.620105 0.702453 0.649961 O\n0.188899 0.528451 0.811287 O\n0.120105 0.797546 0.472614 O\n0.620105 0.702453 0.972614 O\n0.688898 0.971548 0.311287 O\n0.120105 0.797546 0.149960 O\n",
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{
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"structure_string": "V4 O1 F11\n1.0\n5.005103 -0.005829 0.003849\n0.008593 7.222434 -0.545052\n-0.004270 -0.115755 5.355803\nV O F\n4 1 11\ndirect\n0.509144 0.487603 0.500071 V\n0.509143 0.012391 0.499936 V\n0.001547 0.500784 0.999872 V\n0.001533 -0.000779 0.000133 V\n0.593972 0.250004 0.500018 O\n0.868965 0.250005 0.000022 F\n0.818394 0.563269 0.315688 F\n0.818367 0.936728 0.684331 F\n0.686604 0.933288 0.183637 F\n0.686604 0.566719 0.816368 F\n0.385332 0.749993 0.499989 F\n0.314997 0.436730 0.182431 F\n0.314952 0.063274 0.817537 F\n0.179604 0.058514 0.316937 F\n0.179564 0.441472 0.683037 F\n0.131271 0.750005 -0.000007 F\n",
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{
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"created_at": "2022-09-04T14:38:28.883846Z",
"updated_at": "2022-09-04T14:38:28.883880Z",
"structure_string": "Li4 Cr1 Fe3 O8\n1.0\n1.436126 0.829144 4.754447\n5.742559 0.000515 0.000480\n-2.870832 4.972416 -0.000001\nLi Cr Fe O\n4 1 3 8\ndirect\n0.001535 0.998768 0.499383 Li\n0.998465 0.001232 0.000615 Li\n0.000000 0.500000 0.498846 Li\n0.000000 0.500000 0.001153 Li\n0.500000 0.500000 0.249999 Cr\n0.500000 0.000001 0.750000 Fe\n0.500000 0.000000 0.250000 Fe\n0.500000 0.500000 0.750000 Fe\n0.274904 0.241671 0.620834 O\n0.726191 0.257525 0.878042 O\n0.274598 0.240912 0.120456 O\n0.726192 0.257524 0.379483 O\n0.273809 0.742476 0.621958 O\n0.725097 0.758329 0.879164 O\n0.273809 0.742476 0.120515 O\n0.725403 0.759088 0.379543 O\n",
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{
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"created_at": "2022-09-04T14:38:08.626217Z",
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"structure_string": "Li4 V1 Cr3 O8\n1.0\n-5.026554 0.000112 -0.000841\n-0.000277 -5.807134 -0.000717\n1.681202 2.902745 4.818282\nLi V Cr O\n4 1 3 8\ndirect\n0.005295 0.752205 0.004395 Li\n0.994705 0.247793 0.995604 Li\n0.500000 0.000000 0.000000 Li\n0.500000 0.500000 -0.000000 Li\n0.500000 0.499999 0.500000 V\n-0.000006 0.252994 0.500003 Cr\n0.000006 0.747004 0.499996 Cr\n0.500000 -0.000000 0.500000 Cr\n0.758984 0.382578 0.265139 O\n0.758231 0.888382 0.276745 O\n0.255583 0.132759 0.268234 O\n0.744417 0.867239 0.731765 O\n0.744414 0.364505 0.731772 O\n0.241016 0.617420 0.734860 O\n0.255586 0.635493 0.268228 O\n0.241769 0.111617 0.723254 O\n",
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]
}