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{
"id": "jvasp-34401",
"created_at": "2022-09-04T14:38:09.058687Z",
"updated_at": "2022-09-04T14:38:09.058706Z",
"structure_string": "Tb6 Cu2 Sn2 S14\n1.0\n4.881122 -8.454350 0.000000\n4.881121 8.454351 0.000000\n-0.000000 -0.000000 6.226517\nTb Cu Sn S\n6 2 2 14\ndirect\n0.359955 0.152205 0.274959 Tb\n0.152205 0.792250 0.774959 Tb\n0.792250 0.640045 0.274959 Tb\n0.640045 0.847794 0.774959 Tb\n0.207749 0.359955 0.774959 Tb\n0.847794 0.207749 0.274959 Tb\n0.000000 0.000000 0.663189 Cu\n0.000000 0.000000 0.163188 Cu\n0.666667 0.333333 0.839715 Sn\n0.333333 0.666667 0.339715 Sn\n0.883816 0.147038 0.698824 S\n0.333333 0.666667 0.954374 S\n0.080492 0.520456 0.520859 S\n0.116184 0.852962 0.198824 S\n0.666667 0.333333 0.454374 S\n0.263222 0.116184 0.698824 S\n0.520456 0.439964 0.020859 S\n0.147038 0.263222 0.198824 S\n0.479544 0.560036 0.520859 S\n0.919508 0.479544 0.020859 S\n0.852962 0.736778 0.698824 S\n0.560036 0.080492 0.020859 S\n0.439964 0.919508 0.520859 S\n0.736778 0.883816 0.198824 S\n",
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{
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"structure_string": "Li2 Cr1 Cu1 O4\n1.0\n0.000000 5.586120 0.357855\n2.823661 0.000000 0.000000\n0.000000 -2.197005 -4.757984\nLi Cr Cu O\n2 1 1 4\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 -0.000000 Li\n-0.000001 0.500000 0.500000 Cr\n0.499999 0.000000 0.499999 Cu\n0.785842 0.000000 0.238089 O\n0.230888 0.500000 0.316664 O\n0.214156 0.000000 0.761909 O\n0.769110 0.500000 0.683334 O\n",
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{
"id": "jvasp-44698",
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"updated_at": "2022-09-04T14:38:09.075723Z",
"structure_string": "Li2 Fe1 Ni1 O4\n1.0\n0.000000 5.034149 0.115052\n2.802061 0.000000 0.000000\n0.000000 -1.795990 -4.797132\nLi Fe Ni O\n2 1 1 4\ndirect\n0.500000 0.500000 0.000000 Li\n0.500000 0.000000 0.500000 Li\n-0.000000 0.500000 0.500000 Fe\n0.000000 0.000000 0.000000 Ni\n0.790851 0.500000 0.747281 O\n0.209150 0.500000 0.252719 O\n0.238100 0.000000 0.729019 O\n0.761901 0.000000 0.270981 O\n",
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{
"id": "jvasp-26736",
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"updated_at": "2022-09-04T14:38:28.964460Z",
"structure_string": "Na2 Sr6 Bi2 O12\n1.0\n7.007306 -0.008358 -0.163340\n-0.166997 7.005322 -0.163340\n-0.008171 -0.008358 7.009206\nNa Sr Bi O\n2 6 2 12\ndirect\n0.250000 0.250000 0.250000 Na\n0.750000 0.749999 0.750000 Na\n0.750000 0.398919 0.101080 Sr\n0.898920 0.250000 0.601081 Sr\n0.101080 0.750000 0.398920 Sr\n0.250000 0.601080 0.898920 Sr\n0.398920 0.101080 0.750000 Sr\n0.601080 0.898919 0.250000 Sr\n0.000000 0.000000 0.000000 Bi\n0.500000 0.500000 0.500000 Bi\n0.445515 0.793564 0.573112 O\n0.926888 0.706435 0.054485 O\n0.293564 0.945514 0.073112 O\n0.945515 0.073111 0.293565 O\n0.426888 0.554485 0.206436 O\n0.573112 0.445514 0.793565 O\n0.073112 0.293564 0.945515 O\n0.206436 0.426888 0.554486 O\n0.793565 0.573111 0.445515 O\n0.054485 0.926888 0.706436 O\n0.554486 0.206435 0.426888 O\n0.706436 0.054485 0.926889 O\n",
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{
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"created_at": "2022-09-04T14:38:28.380921Z",
"updated_at": "2022-09-04T14:38:28.380949Z",
"structure_string": "Sr2 Sc1 Bi1 O6\n1.0\n5.092049 -0.000000 2.939896\n1.697350 4.800830 2.939896\n-0.000000 -0.000000 5.879791\nSr Sc Bi O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Sr\n0.750000 0.750000 0.750001 Sr\n0.500000 0.500000 0.500001 Sc\n0.000000 0.000000 0.000000 Bi\n0.748042 0.251958 0.251959 O\n0.251958 0.748042 0.748042 O\n0.251958 0.748042 0.251959 O\n0.748042 0.251958 0.748042 O\n0.251958 0.251958 0.748042 O\n0.748042 0.748042 0.251959 O\n",
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"volume": 143.73773298506507,
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{
"id": "jvasp-108098",
"created_at": "2022-09-04T14:38:28.371789Z",
"updated_at": "2022-09-04T14:38:28.371812Z",
"structure_string": "Na2 Ti1 Te1 O6\n1.0\n4.718505 -0.028905 3.782235\n1.798903 4.362233 3.782235\n-0.043474 -0.028905 6.047124\nNa Ti Te O\n2 1 1 6\ndirect\n0.857933 0.857929 0.857932 Na\n0.137999 0.137999 0.137999 Na\n0.655172 0.655169 0.655171 Ti\n0.341849 0.341847 0.341848 Te\n0.685465 0.063701 0.466232 O\n0.466232 0.685462 0.063703 O\n0.063703 0.466230 0.685463 O\n0.308155 0.945516 0.537983 O\n0.537984 0.308153 0.945518 O\n0.945519 0.537980 0.308155 O\n",
"nsites": 10,
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"density_atomic": 0.07947551004894178,
"volume": 125.82492385191242,
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"formula_full": "Na2 Ti1 Te1 O6",
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},
{
"id": "jvasp-8205",
"created_at": "2022-09-04T14:38:10.838019Z",
"updated_at": "2022-09-04T14:38:10.838042Z",
"structure_string": "K1 Ag2 Sb1 S4\n1.0\n5.842425 -0.011725 -2.781833\n-3.509989 5.359997 -0.907228\n-0.007678 0.011725 6.470893\nK Ag Sb S\n1 2 1 4\ndirect\n0.000000 0.000000 0.000000 K\n0.499999 0.250000 0.750000 Ag\n0.499999 0.750000 0.250000 Ag\n0.000000 0.500001 0.500000 Sb\n0.000000 0.458896 0.860877 S\n0.598017 0.139123 0.139123 S\n0.401982 0.541106 0.541105 S\n0.000000 0.860878 0.458895 S\n",
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],
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"volume": 202.43423636590921,
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"formula_full": "K1 Ag2 Sb1 S4",
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},
{
"id": "jvasp-45238",
"created_at": "2022-09-04T14:38:05.143192Z",
"updated_at": "2022-09-04T14:38:05.143216Z",
"structure_string": "Li4 Fe3 Co1 O8\n1.0\n5.070396 -0.005557 0.003128\n-0.031055 5.460676 -0.001055\n-0.013624 -0.028888 6.363736\nLi Fe Co O\n4 3 1 8\ndirect\n0.994292 0.083994 0.625880 Li\n0.498934 0.418462 0.123279 Li\n0.994707 0.582287 0.876617 Li\n0.499045 0.915814 0.374612 Li\n0.004677 0.082431 0.122781 Fe\n0.495901 0.414932 0.629761 Fe\n0.998091 0.583444 0.375806 Fe\n0.502989 0.914787 0.870720 Co\n0.366432 0.069497 0.110125 O\n0.390540 0.091780 0.638735 O\n0.885703 0.412017 0.129643 O\n0.874527 0.423110 0.621010 O\n0.374991 0.573065 0.381582 O\n0.390229 0.592215 0.862739 O\n0.887138 0.915174 0.368865 O\n0.868208 0.926989 0.887849 O\n",
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{
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"created_at": "2022-09-04T14:38:09.140506Z",
"updated_at": "2022-09-04T14:38:09.140536Z",
"structure_string": "Li4 Mn4 P4 O16\n1.0\n7.124838 -0.000000 -0.000000\n0.000000 7.124838 -0.000000\n-0.000000 -0.000000 7.124838\nLi Mn P O\n4 4 4 16\ndirect\n0.202298 0.702298 0.797703 Li\n0.297703 0.297703 0.297703 Li\n0.702298 0.797703 0.202298 Li\n0.797703 0.202298 0.702298 Li\n0.272459 0.727541 0.227541 Mn\n0.227541 0.272459 0.727541 Mn\n0.772459 0.772459 0.772459 Mn\n0.727541 0.227541 0.272459 Mn\n0.529893 0.470107 0.970107 P\n0.470107 0.970107 0.529893 P\n0.970107 0.529893 0.470107 P\n0.029893 0.029893 0.029893 P\n0.822007 0.021348 0.101886 O\n0.898114 0.322007 0.478652 O\n0.601887 0.677993 0.978653 O\n0.677993 0.978653 0.601887 O\n0.651468 0.348532 0.848532 O\n0.478652 0.898114 0.322007 O\n0.521348 0.398114 0.177993 O\n0.151468 0.151468 0.151468 O\n0.322007 0.478652 0.898114 O\n0.398114 0.177993 0.521348 O\n0.101886 0.822007 0.021348 O\n0.177993 0.521348 0.398114 O\n0.848532 0.651468 0.348532 O\n0.978653 0.601887 0.677993 O\n0.348532 0.848532 0.651468 O\n0.021348 0.101886 0.822007 O\n",
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{
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"created_at": "2022-09-04T14:38:09.141470Z",
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"structure_string": "Li4 Ni3 O2 F6\n1.0\n5.099952 -0.004421 -0.004536\n-0.884988 -5.015197 0.004945\n-1.706288 0.270166 -5.596808\nLi Ni O F\n4 3 2 6\ndirect\n0.981899 0.261946 0.872488 Li\n0.018100 0.738053 0.127514 Li\n0.988041 0.239066 0.369444 Li\n0.011958 0.760933 0.630558 Li\n0.500000 -0.000000 0.000000 Ni\n0.501894 0.499189 0.239711 Ni\n0.498105 0.500811 0.760291 Ni\n0.725318 0.361026 0.055964 O\n0.274682 0.638973 0.944038 O\n0.231471 0.130506 0.174910 F\n0.779645 0.867525 0.310648 F\n0.760779 0.399583 0.566247 F\n0.239220 0.600417 0.433755 F\n0.768529 0.869494 0.825092 F\n0.220354 0.132475 0.689354 F\n",
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{
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"created_at": "2022-09-04T14:38:28.352306Z",
"updated_at": "2022-09-04T14:38:28.352331Z",
"structure_string": "Li3 V3 C6 O18\n1.0\n7.982813 0.046029 0.020881\n4.061968 6.872251 0.020881\n0.009157 0.005260 5.231600\nLi V C O\n3 3 6 18\ndirect\n0.665507 0.001102 0.499837 Li\n-0.001101 0.334493 0.500163 Li\n0.332189 0.667811 0.500000 Li\n0.326384 0.006939 0.000013 V\n0.993061 0.673616 -0.000013 V\n0.659707 0.340293 -0.000000 V\n0.334507 0.333093 0.760362 C\n0.333554 0.332175 0.239583 C\n0.000218 0.998838 0.239613 C\n0.666907 0.665493 0.239638 C\n0.667825 0.666446 0.760417 C\n0.001162 0.999782 0.760387 C\n0.231507 0.520716 0.233269 O\n0.522152 0.242269 0.240322 O\n0.247096 0.231174 0.240549 O\n0.435508 0.419555 0.759406 O\n0.102172 0.086237 0.759442 O\n0.898165 0.187375 0.233311 O\n0.145964 0.435158 0.766641 O\n0.855502 0.575590 0.240345 O\n0.564843 0.854036 0.233358 O\n0.757731 0.477849 0.759678 O\n0.768827 0.752904 0.759450 O\n0.580445 0.564492 0.240593 O\n0.913764 0.897828 0.240557 O\n0.424410 0.144498 0.759655 O\n0.479284 0.768493 0.766730 O\n0.188818 0.908928 0.240356 O\n0.091072 0.811183 0.759643 O\n0.812625 0.101835 0.766689 O\n",
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{
"id": "jvasp-34417",
"created_at": "2022-09-04T14:38:16.511390Z",
"updated_at": "2022-09-04T14:38:16.511409Z",
"structure_string": "Ba3 Si6 N4 O9\n1.0\n3.654241 -6.329331 0.000000\n3.654241 6.329331 -0.000000\n0.000000 -0.000000 6.838524\nBa Si N O\n3 6 4 9\ndirect\n0.333333 0.666667 0.690989 Ba\n0.000000 0.000000 0.557118 Ba\n0.666667 0.333333 0.748311 Ba\n0.926992 0.378098 0.256657 Si\n0.213534 0.253143 0.043941 Si\n0.746857 0.960391 0.043941 Si\n0.039609 0.786466 0.043941 Si\n0.451106 0.073008 0.256657 Si\n0.621902 0.548894 0.256657 Si\n0.868854 0.575194 0.192895 N\n0.706339 0.131146 0.192895 N\n0.424806 0.293661 0.192895 N\n0.000000 0.000000 0.094666 N\n0.118718 0.411432 0.102669 O\n0.292714 0.881282 0.102669 O\n0.280068 0.287498 0.815846 O\n0.712501 0.992570 0.815846 O\n0.390838 0.013827 0.483586 O\n0.007430 0.719931 0.815846 O\n0.986173 0.377012 0.483586 O\n0.622987 0.609161 0.483586 O\n0.588568 0.707286 0.102669 O\n",
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]
}