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{
"id": "jvasp-119017",
"created_at": "2022-09-04T14:38:49.919510Z",
"updated_at": "2022-09-04T14:38:49.919530Z",
"structure_string": "Tm4 Si4 Pd8\n1.0\n5.493869 0.000000 0.000000\n0.000000 6.979837 0.000000\n-0.000000 0.000000 7.240334\nTm Si Pd\n4 4 8\ndirect\n0.358675 0.750000 0.026999 Tm\n0.141325 0.750000 0.526999 Tm\n0.641325 0.250000 0.973000 Tm\n0.858675 0.250000 0.473000 Tm\n0.641426 0.750000 0.379504 Si\n0.858575 0.750000 0.879504 Si\n0.358575 0.250000 0.620496 Si\n0.141426 0.250000 0.120496 Si\n0.908099 0.550650 0.181105 Pd\n0.591901 0.949351 0.681105 Pd\n0.091901 0.050649 0.818894 Pd\n0.408099 0.449351 0.318894 Pd\n0.091901 0.449351 0.818894 Pd\n0.408099 0.050649 0.318894 Pd\n0.908099 0.949351 0.181105 Pd\n0.591901 0.550650 0.681105 Pd\n",
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{
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"structure_string": "Li6 Mn3 V3 O12\n1.0\n4.872500 -0.001871 -1.530276\n-0.105468 5.841632 -0.871363\n0.015254 -0.007326 7.542456\nLi Mn V O\n6 3 3 12\ndirect\n0.002639 0.589065 0.839098 Li\n0.004588 0.758476 0.509370 Li\n-0.005175 0.084461 0.827326 Li\n0.997360 0.410934 0.160902 Li\n0.005174 0.915538 0.172675 Li\n0.995411 0.241523 0.490630 Li\n0.489647 0.321647 0.837686 Mn\n0.510352 0.678352 0.162314 Mn\n0.499999 0.500000 0.500000 Mn\n0.489047 0.157477 0.157005 V\n0.500000 -0.000000 0.500000 V\n0.510952 0.842522 0.842995 V\n0.285779 0.551897 0.680719 O\n0.738062 0.120538 0.995327 O\n0.749305 0.635572 0.008201 O\n0.741644 0.967705 0.341624 O\n0.714220 0.448102 0.319281 O\n0.743728 0.803064 0.671676 O\n0.712700 0.282468 0.657254 O\n0.250694 0.364427 0.991799 O\n0.261936 0.879461 0.004673 O\n0.287298 0.717531 0.342746 O\n0.256270 0.196935 0.328325 O\n0.258355 0.032294 0.658376 O\n",
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"formula_full": "Li6 Mn3 V3 O12",
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{
"id": "jvasp-119228",
"created_at": "2022-09-04T14:38:49.923527Z",
"updated_at": "2022-09-04T14:38:49.923540Z",
"structure_string": "Zn6 Ga4 N8\n1.0\n6.394453 -0.004368 -0.451940\n-6.879124 6.380427 0.000001\n-0.005315 -0.005731 5.355307\nZn Ga N\n6 4 8\ndirect\n0.228471 0.962447 0.099538 Zn\n0.771530 0.733976 0.400462 Zn\n0.771529 0.037553 0.900463 Zn\n0.228470 0.266024 0.599538 Zn\n0.000000 0.657164 0.750000 Zn\n0.000000 0.342836 0.250000 Zn\n0.573775 0.398959 0.134283 Ga\n0.426225 0.825184 0.365718 Ga\n0.573775 0.174816 0.634283 Ga\n0.426225 0.601041 0.865718 Ga\n0.377247 0.769656 0.994792 N\n0.201092 0.888987 0.487281 N\n0.798909 0.687895 0.012719 N\n0.798908 0.111013 0.512720 N\n0.201091 0.312105 0.987281 N\n0.622753 0.230344 0.005208 N\n0.377247 0.607591 0.494792 N\n0.622752 0.392409 0.505208 N\n",
"nsites": 18,
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"elements": [
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],
"chemical_system": "Ga-N-Zn",
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"volume": 218.29893428109713,
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"formula_full": "Zn6 Ga4 N8",
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"formula_anonymous": "A2B3C4",
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},
{
"id": "jvasp-116862",
"created_at": "2022-09-04T14:38:49.924648Z",
"updated_at": "2022-09-04T14:38:49.924658Z",
"structure_string": "Li4 Co1 Cu3 P4 O16\n1.0\n6.006822 -0.000000 0.000000\n0.000000 4.711337 0.076051\n-0.000000 0.027930 10.012451\nLi Co Cu P O\n4 1 3 4 16\ndirect\n0.250102 0.004757 0.004038 Li\n0.749897 0.004757 0.004038 Li\n0.749337 0.493767 0.496320 Li\n0.250662 0.493767 0.496320 Li\n-0.000000 0.021522 0.718463 Co\n0.500000 0.972292 0.282892 Cu\n0.500000 0.548433 0.783848 Cu\n-0.000000 0.464891 0.218246 Cu\n0.500000 0.072826 0.596964 P\n0.500000 0.427186 0.093399 P\n-0.000000 0.582937 0.905289 P\n-0.000000 0.915516 0.405273 P\n0.709834 0.201988 0.666851 O\n-0.000000 0.242324 0.403042 O\n-0.000000 0.258368 0.902247 O\n0.294853 0.284461 0.163751 O\n0.705146 0.284461 0.163751 O\n0.500000 0.310433 0.947916 O\n-0.000000 0.703568 0.048723 O\n0.206176 0.780406 0.335676 O\n0.201157 0.729217 0.830942 O\n0.500000 0.752769 0.094678 O\n0.500000 0.745650 0.599586 O\n0.793824 0.780406 0.335676 O\n0.290166 0.201988 0.666851 O\n-0.000000 0.788542 0.551050 O\n0.798842 0.729217 0.830942 O\n0.500000 0.203563 0.453226 O\n",
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{
"id": "jvasp-113545",
"created_at": "2022-09-04T14:38:49.927208Z",
"updated_at": "2022-09-04T14:38:49.927240Z",
"structure_string": "Ca1 Ge1 N1\n1.0\n4.491241 0.000000 -0.000000\n-2.245621 3.889529 0.000000\n0.000000 0.000000 3.717897\nCa Ge N\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Ca\n0.333333 0.666668 0.000000 Ge\n0.666666 0.333334 0.000000 N\n",
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"spacegroup": 187
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{
"id": "jvasp-111347",
"created_at": "2022-09-04T14:38:49.930297Z",
"updated_at": "2022-09-04T14:38:49.930334Z",
"structure_string": "Na1 Ho1 F4\n1.0\n3.786252 -0.000000 0.000000\n0.000000 3.786252 0.000000\n-0.000000 -0.000000 5.456736\nNa Ho F\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Na\n0.500000 0.500000 0.500000 Ho\n0.500000 0.000000 0.732404 F\n-0.000000 0.500000 0.267597 F\n0.500000 0.000000 0.267597 F\n-0.000000 0.500000 0.732404 F\n",
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{
"id": "jvasp-117689",
"created_at": "2022-09-04T14:38:49.936784Z",
"updated_at": "2022-09-04T14:38:49.936803Z",
"structure_string": "Li1 Be1 Se1\n1.0\n3.028025 0.000000 -0.000000\n-0.000000 3.028025 0.000000\n0.000000 -0.000000 6.809303\nLi Be Se\n1 1 1\ndirect\n0.000000 0.000000 0.656867 Li\n0.000000 0.000000 0.313003 Be\n0.000000 0.000000 0.006045 Se\n",
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{
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"created_at": "2022-09-04T14:38:49.938606Z",
"updated_at": "2022-09-04T14:38:49.938635Z",
"structure_string": "S1 F1\n1.0\n3.866745 -0.000000 0.000000\n-1.933373 3.348700 -0.000000\n0.000000 -0.000000 2.375844\nS F\n1 1\ndirect\n0.000000 0.000000 0.000000 S\n0.333336 0.666668 0.000000 F\n",
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{
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"created_at": "2022-09-04T14:38:49.938854Z",
"updated_at": "2022-09-04T14:38:49.938874Z",
"structure_string": "Ta2 Ti2 Nb1 C5\n1.0\n3.119078 0.001621 12.526374\n1.537457 2.713831 12.526374\n0.002780 0.001621 12.908861\nTa Ti Nb C\n2 2 1 5\ndirect\n0.899991 0.899987 0.899987 Ta\n0.498251 0.498249 0.498249 Ta\n0.098620 0.098619 0.098620 Ti\n0.701372 0.701370 0.701370 Ti\n0.301648 0.301647 0.301647 Nb\n0.400218 0.400217 0.400217 C\n0.199119 0.199119 0.199119 C\n0.798362 0.798359 0.798359 C\n0.002409 0.002409 0.002409 C\n0.600020 0.600018 0.600018 C\n",
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{
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"created_at": "2022-09-04T14:38:49.942424Z",
"updated_at": "2022-09-04T14:38:49.942439Z",
"structure_string": "I1 F2\n1.0\n4.589228 0.003867 0.595015\n-1.792100 -4.241025 -0.973095\n-0.134957 -2.800092 -3.244916\nI F\n1 2\ndirect\n0.097479 0.127460 0.895581 I\n0.790632 0.066144 0.258771 F\n0.404244 0.188689 0.532394 F\n",
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{
"id": "jvasp-119521",
"created_at": "2022-09-04T14:38:49.944640Z",
"updated_at": "2022-09-04T14:38:49.944667Z",
"structure_string": "Li4 Cr2 Co6 O16\n1.0\n4.924623 -0.038350 2.889079\n1.687271 9.165518 2.880765\n-0.040400 -0.008436 5.709312\nLi Cr Co O\n4 2 6 16\ndirect\n0.560373 0.318664 0.560484 Li\n0.060362 0.818662 0.060558 Li\n0.937180 0.188270 0.937281 Li\n0.437171 0.688267 0.437301 Li\n0.252624 0.241740 0.252834 Cr\n0.752616 0.741742 0.752895 Cr\n0.000187 0.501060 0.498552 Co\n0.500151 0.001080 0.500169 Co\n0.998687 0.001119 0.500118 Co\n0.000157 0.501082 0.000113 Co\n0.498699 0.501121 0.000062 Co\n0.500176 0.001062 -0.001390 Co\n0.353389 0.381181 0.911993 O\n0.101898 0.617097 0.640434 O\n0.601910 0.117097 0.140484 O\n0.640546 0.617042 0.102110 O\n0.140563 0.117057 0.602094 O\n0.853369 0.881181 0.412066 O\n0.411987 0.881090 0.853464 O\n0.367584 0.897073 0.367687 O\n0.853422 0.881169 0.853440 O\n0.353430 0.381170 0.353378 O\n0.131343 0.606355 0.131107 O\n0.631332 0.106356 0.631169 O\n0.140602 0.117041 0.140301 O\n0.867598 0.397073 0.867630 O\n0.911999 0.381092 0.353405 O\n0.640636 0.617054 0.640257 O\n",
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{
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"created_at": "2022-09-04T14:38:49.944826Z",
"updated_at": "2022-09-04T14:38:49.944853Z",
"structure_string": "Al4 Fe2 N6\n1.0\n5.496204 0.002916 0.000000\n-2.749039 4.757478 0.000000\n-0.000000 -0.000000 5.029572\nAl Fe N\n4 2 6\ndirect\n0.335679 0.331469 0.492186 Al\n0.664320 0.995790 0.492186 Al\n0.664320 0.668532 0.992186 Al\n0.335679 0.004211 0.992186 Al\n0.000000 0.667242 0.483959 Fe\n0.000000 0.332759 0.983959 Fe\n0.346224 0.335480 0.870016 N\n0.653776 0.989256 0.870016 N\n0.653776 0.664522 0.370017 N\n0.346224 0.010745 0.370017 N\n0.000000 0.683650 0.879633 N\n0.000000 0.316350 0.379634 N\n",
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],
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"volume": 131.55391682578986,
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"formula_full": "Al4 Fe2 N6",
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"formula_anonymous": "AB2C3",
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"spacegroup": 36
}
]
}