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{
"id": "jvasp-43453",
"created_at": "2022-09-04T14:37:10.237140Z",
"updated_at": "2022-09-04T14:37:10.237160Z",
"structure_string": "Li4 Fe4 F12\n1.0\n5.259435 0.000000 0.000000\n-0.000000 5.221685 0.000000\n0.000000 0.000000 7.796842\nLi Fe F\n4 4 12\ndirect\n0.979078 0.979312 0.250000 Li\n0.520923 0.479313 0.750000 Li\n0.479078 0.520686 0.250000 Li\n0.020923 0.020687 0.750000 Li\n0.000000 0.500000 0.000000 Fe\n0.000000 0.500000 0.500000 Fe\n0.500000 0.000000 0.500000 Fe\n0.500000 0.000000 0.000000 Fe\n0.168843 0.157543 0.076212 F\n0.331158 0.657543 0.923788 F\n0.331158 0.657543 0.576211 F\n0.384845 0.135791 0.750000 F\n0.615156 0.864209 0.250000 F\n0.831158 0.842456 0.923788 F\n0.668843 0.342456 0.076212 F\n0.831158 0.842456 0.576211 F\n0.168843 0.157543 0.423788 F\n0.884846 0.364209 0.750000 F\n0.668843 0.342456 0.423788 F\n0.115155 0.635790 0.250000 F\n",
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{
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"updated_at": "2022-09-04T14:37:01.288745Z",
"structure_string": "K1 Mn1 O3\n1.0\n3.768810 -0.000000 0.000000\n0.000000 3.768810 0.000000\n-0.000000 -0.000000 3.768810\nK Mn O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 K\n0.500000 0.500000 0.500000 Mn\n0.500000 0.500000 -0.000000 O\n0.500000 0.000000 0.500000 O\n-0.000000 0.500000 0.500000 O\n",
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},
{
"id": "jvasp-30063",
"created_at": "2022-09-04T14:38:10.665042Z",
"updated_at": "2022-09-04T14:38:10.665067Z",
"structure_string": "Zn2 H8 Cl4 O12\n1.0\n6.398494 0.000000 -0.583194\n0.000000 6.825768 0.000000\n-0.056381 0.000000 6.378833\nZn H Cl O\n2 8 4 12\ndirect\n0.500000 0.500000 0.500000 Zn\n0.000000 0.000000 0.000000 Zn\n0.393849 0.918814 0.189361 H\n0.893848 0.581187 0.689361 H\n0.606151 0.081187 0.810639 H\n0.106151 0.418814 0.310639 H\n0.108203 0.647338 0.370642 H\n0.608202 0.852663 0.870642 H\n0.891797 0.352663 0.629359 H\n0.391797 0.147338 0.129358 H\n0.236915 0.105288 0.584354 Cl\n0.736914 0.394712 0.084355 Cl\n0.263085 0.605289 0.915645 Cl\n0.763085 0.894712 0.415646 Cl\n0.809862 0.477019 0.608898 O\n0.057316 0.729210 0.842425 O\n0.557316 0.770790 0.342426 O\n0.942683 0.270790 0.157575 O\n0.442684 0.229210 0.657574 O\n0.451632 0.660459 0.782767 O\n0.951632 0.839542 0.282767 O\n0.548367 0.339541 0.217234 O\n0.048368 0.160459 0.717233 O\n0.190138 0.522982 0.391102 O\n0.690137 0.977019 0.891102 O\n0.309862 0.022982 0.108898 O\n",
"nsites": 26,
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"density_atomic": 0.0934012826203996,
"volume": 278.3687682927107,
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"formula_full": "Zn2 H8 Cl4 O12",
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{
"id": "jvasp-15912",
"created_at": "2022-09-04T14:37:55.422194Z",
"updated_at": "2022-09-04T14:37:55.422217Z",
"structure_string": "Li1 Si1 Ni2\n1.0\n3.401009 -0.000000 1.963573\n1.133669 3.206501 1.963573\n0.000000 0.000000 3.927146\nLi Si Ni\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Si\n0.250000 0.250000 0.250000 Ni\n0.750001 0.750000 0.750000 Ni\n",
"nsites": 4,
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"elements": [
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"volume": 42.826857488050734,
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},
{
"id": "jvasp-34831",
"created_at": "2022-09-04T14:36:39.030777Z",
"updated_at": "2022-09-04T14:36:39.030809Z",
"structure_string": "Li2 Cu2 P2 O8 F2\n1.0\n5.194281 -0.015262 -0.012167\n-0.742099 5.135879 0.000317\n-2.350799 -2.124288 6.430416\nLi Cu P O F\n2 2 2 8 2\ndirect\n0.432169 0.075784 0.803086 Li\n0.567830 0.924216 0.196915 Li\n0.000000 0.000000 0.000000 Cu\n0.500000 0.500000 0.500000 Cu\n0.879273 0.543654 0.238063 P\n0.120726 0.456346 0.761938 P\n0.175460 0.310862 0.930751 O\n0.328928 0.355405 0.660230 O\n0.671072 0.644595 0.339770 O\n0.816314 0.353997 0.600122 O\n0.824540 0.689138 0.069249 O\n0.183685 0.646003 0.399878 O\n0.219258 0.772065 0.867949 O\n0.780742 0.227935 0.132052 O\n0.684693 0.895335 0.742497 F\n0.315307 0.104665 0.257504 F\n",
"nsites": 16,
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{
"id": "jvasp-44373",
"created_at": "2022-09-04T14:38:08.672899Z",
"updated_at": "2022-09-04T14:38:08.672915Z",
"structure_string": "Li4 Al2 Fe2 O8\n1.0\n4.996034 0.000808 0.000290\n-0.001063 5.413930 0.000275\n-0.004447 -0.000244 6.333841\nLi Al Fe O\n4 2 2 8\ndirect\n0.501132 0.668706 0.749779 Li\n0.001188 0.833014 0.502021 Li\n0.001153 0.330733 0.249786 Li\n0.501208 0.166421 0.002009 Li\n0.996080 0.832642 0.000313 Al\n0.496083 0.166793 0.500306 Al\n0.997844 0.333384 0.752614 Fe\n0.497836 0.666050 0.252612 Fe\n0.102662 0.146404 0.992684 O\n0.103685 0.668468 0.770807 O\n0.618920 0.317479 0.731891 O\n0.138410 0.178764 0.509341 O\n0.602653 0.853035 0.492678 O\n0.603689 0.330974 0.270796 O\n0.118913 0.681960 0.231901 O\n0.638405 0.820675 0.009337 O\n",
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"elements": [
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],
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"density_atomic": 0.09339309584656058,
"volume": 171.3188737879197,
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{
"id": "jvasp-97972",
"created_at": "2022-09-04T14:35:59.461032Z",
"updated_at": "2022-09-04T14:35:59.461065Z",
"structure_string": "Li4 Al4 Ge8 O24\n1.0\n9.430748 0.000000 -3.573633\n0.000000 8.407234 0.000000\n-0.043248 0.000000 5.418456\nLi Al Ge O\n4 4 8 24\ndirect\n0.991406 0.784482 0.695461 Li\n0.491406 0.715517 0.195460 Li\n0.008594 0.215517 0.304541 Li\n0.508594 0.284483 0.804541 Li\n0.005753 0.585297 0.255906 Al\n0.505753 0.914702 0.755907 Al\n0.994247 0.414703 0.744095 Al\n0.494247 0.085297 0.244095 Al\n0.277653 0.384439 0.223229 Ge\n0.777653 0.115560 0.723229 Ge\n0.222347 0.884439 0.276772 Ge\n0.722347 0.615560 0.776773 Ge\n0.790725 0.916280 0.218297 Ge\n0.709276 0.416280 0.281704 Ge\n0.209275 0.083720 0.781704 Ge\n0.290724 0.583720 0.718297 Ge\n0.144380 0.923652 0.930518 O\n0.680609 0.816723 0.804434 O\n0.180609 0.683276 0.304433 O\n0.088074 0.398668 0.126037 O\n0.588074 0.101332 0.626037 O\n0.911926 0.601332 0.873965 O\n0.411926 0.898667 0.373964 O\n0.355620 0.423652 0.569483 O\n0.855620 0.076348 0.069483 O\n0.644380 0.576347 0.430518 O\n0.395246 0.754299 0.804736 O\n0.103259 0.572051 0.650216 O\n0.604754 0.245700 0.195265 O\n0.104754 0.254299 0.695265 O\n0.359905 0.509877 0.060573 O\n0.859905 0.990122 0.560574 O\n0.640095 0.490122 0.939428 O\n0.140095 0.009878 0.439427 O\n0.819391 0.316723 0.695568 O\n0.603259 0.927948 0.150216 O\n0.896741 0.427948 0.349786 O\n0.396741 0.072051 0.849786 O\n0.895246 0.745700 0.304736 O\n0.319391 0.183276 0.195567 O\n",
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],
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"volume": 428.31108112361096,
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"formula_full": "Li4 Al4 Ge8 O24",
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},
{
"id": "jvasp-112756",
"created_at": "2022-09-04T14:38:42.147791Z",
"updated_at": "2022-09-04T14:38:42.147826Z",
"structure_string": "V2 Cr4 O8\n1.0\n5.190944 0.033812 -2.936236\n-1.771923 4.853233 2.973163\n-0.056788 -0.013408 5.963229\nV Cr O\n2 4 8\ndirect\n0.124993 0.375049 0.374941 V\n0.875010 0.624952 0.625062 V\n0.499999 0.000002 0.499997 Cr\n0.000002 0.000001 0.000001 Cr\n0.499999 0.499995 0.000002 Cr\n0.500000 0.000001 0.000002 Cr\n0.258932 0.240598 0.777735 O\n0.740584 0.222227 0.759419 O\n0.259410 0.241065 0.240590 O\n0.722241 0.240597 0.241054 O\n0.277760 0.759399 0.758945 O\n0.740585 0.758931 0.759408 O\n0.259411 0.777774 0.240573 O\n0.741068 0.759402 0.222265 O\n",
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{
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"structure_string": "Si12 N16\n1.0\n3.908563 -6.769829 -0.000000\n3.908563 6.769829 0.000000\n0.000000 -0.000000 5.665578\nSi N\n12 16\ndirect\n0.512141 0.430209 0.660078 Si\n0.832719 0.746557 0.953138 Si\n0.253443 0.086164 0.953138 Si\n0.746557 0.832719 0.453138 Si\n0.086164 0.253443 0.453138 Si\n0.167280 0.913836 0.453138 Si\n0.913836 0.167280 0.953138 Si\n0.081932 0.569791 0.160078 Si\n0.430209 0.512141 0.160078 Si\n0.918067 0.487858 0.660078 Si\n0.569791 0.081932 0.660078 Si\n0.487858 0.918067 0.160078 Si\n0.685096 0.681530 0.699384 N\n0.333333 0.666667 0.104635 N\n0.666667 0.333333 0.604636 N\n0.681530 0.685096 0.199384 N\n0.314903 0.996434 0.199384 N\n0.003566 0.318470 0.199384 N\n0.996434 0.314903 0.699384 N\n0.045541 0.655573 0.432903 N\n0.389968 0.344427 0.932904 N\n0.655573 0.045541 0.932904 N\n0.954458 0.610031 0.932904 N\n0.344427 0.389968 0.432903 N\n0.000000 0.000000 0.453955 N\n0.610031 0.954458 0.432903 N\n0.318470 0.003566 0.699384 N\n0.000000 0.000000 0.953955 N\n",
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{
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"structure_string": "Ir1 C2\n1.0\n3.453247 0.000000 0.000000\n-0.000000 3.453247 0.000000\n-1.726623 -1.726623 2.693918\nIr C\n1 2\ndirect\n0.000000 0.000000 0.000000 Ir\n0.620984 0.620984 0.241967 C\n0.379018 0.379018 0.758034 C\n",
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{
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"created_at": "2022-09-04T14:35:42.442891Z",
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"structure_string": "Li1 Be2 Zn1\n1.0\n2.800897 0.000000 -0.000000\n0.000000 2.800897 0.000000\n-0.000000 0.000000 5.460178\nLi Be Zn\n1 2 1\ndirect\n0.500001 0.500001 0.000000 Li\n0.000000 0.000000 0.760906 Be\n0.000000 0.000000 0.239094 Be\n0.500001 0.500001 0.500000 Zn\n",
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{
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"created_at": "2022-09-04T14:37:12.157570Z",
"updated_at": "2022-09-04T14:37:12.157580Z",
"structure_string": "Mg2 V4 O8\n1.0\n6.006983 -0.050465 -0.035684\n2.959788 5.126503 0.000000\n2.959788 1.708834 4.833313\nMg V O\n2 4 8\ndirect\n0.992092 0.002636 0.002636 Mg\n0.123444 0.625518 0.625518 Mg\n0.250977 0.249674 0.249674 V\n0.627102 0.116997 0.627950 V\n0.627102 0.627950 0.116997 V\n0.627103 0.627949 0.627950 V\n0.389149 0.377346 0.377346 O\n0.389149 0.377345 0.856159 O\n0.389149 0.856158 0.377346 O\n0.857240 0.380920 0.380921 O\n0.396596 0.867800 0.867800 O\n0.860300 0.404554 0.867573 O\n0.860299 0.867573 0.404554 O\n0.860300 0.867572 0.867573 O\n",
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}
]
}