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{
"id": "jvasp-10245",
"created_at": "2022-09-04T14:37:29.931912Z",
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"structure_string": "Ca2 Ti2 F10\n1.0\n5.303688 0.015861 1.921306\n1.149688 5.177604 1.921306\n-0.003196 -0.002573 7.718692\nCa Ti F\n2 2 10\ndirect\n0.456788 0.543212 0.750000 Ca\n0.543212 0.456788 0.250000 Ca\n0.000000 0.000000 0.000000 Ti\n-0.000000 0.000000 0.500000 Ti\n0.204867 0.255004 0.879540 F\n0.744996 0.795132 0.620460 F\n0.795133 0.744995 0.120460 F\n0.255004 0.204867 0.379541 F\n0.093222 0.906778 0.750000 F\n0.906778 0.093222 0.250000 F\n0.286343 0.684835 0.469663 F\n0.315165 0.713657 0.030338 F\n0.713657 0.315165 0.530338 F\n0.684835 0.286343 0.969663 F\n",
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{
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{
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"structure_string": "Ca2 Sn1 S4\n1.0\n4.157724 -4.157724 -0.000000\n4.157724 4.157724 0.000000\n-4.157724 0.000000 6.128093\nCa Sn S\n2 1 4\ndirect\n0.250000 0.749999 0.500000 Ca\n0.500000 0.500000 0.000000 Ca\n0.749999 0.250000 0.500000 Sn\n0.380872 0.916536 0.253296 S\n0.872423 0.336758 0.253296 S\n0.663241 0.619128 0.746704 S\n0.083463 0.127576 0.746704 S\n",
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{
"id": "jvasp-66438",
"created_at": "2022-09-04T14:36:17.124488Z",
"updated_at": "2022-09-04T14:36:17.124513Z",
"structure_string": "Ba4 Zr1 W1\n1.0\n-0.000000 4.731542 4.731542\n4.731542 0.000000 4.731542\n4.731542 4.731542 0.000000\nBa Zr W\n4 1 1\ndirect\n0.126493 0.624502 0.624502 Ba\n0.624502 0.624502 0.624502 Ba\n0.624502 0.126493 0.624502 Ba\n0.624502 0.624502 0.126493 Ba\n0.000000 0.000000 0.000000 Zr\n0.250000 0.250000 0.250000 W\n",
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{
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"created_at": "2022-09-04T14:37:49.718736Z",
"updated_at": "2022-09-04T14:37:49.718744Z",
"structure_string": "Tm4 In1 Ni2 Ge4\n1.0\n4.029514 0.000000 -1.102865\n-0.586228 6.615108 -2.141885\n0.008949 -0.001418 7.945398\nTm In Ni Ge\n4 1 2 4\ndirect\n0.344235 0.063084 0.688469 Tm\n0.655764 0.936916 0.311530 Tm\n0.408219 0.609125 0.816438 Tm\n0.591780 0.390875 0.183561 Tm\n0.000000 0.000000 0.000000 In\n0.218001 0.637613 0.436003 Ni\n0.781997 0.362387 0.563996 Ni\n0.066231 0.662868 0.132463 Ge\n0.933768 0.337132 0.867536 Ge\n0.201552 0.262323 0.403105 Ge\n0.798447 0.737677 0.596894 Ge\n",
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{
"id": "jvasp-101828",
"created_at": "2022-09-04T14:36:54.456826Z",
"updated_at": "2022-09-04T14:36:54.456848Z",
"structure_string": "H4 C8 S4 O2\n1.0\n5.014094 0.010076 -0.029502\n-0.019260 6.174898 -0.989178\n0.024841 0.653462 6.736094\nH C S O\n4 8 4 2\ndirect\n0.654166 0.967673 0.861175 H\n0.653458 0.944576 0.606586 H\n0.654168 0.467850 0.361034 H\n0.653460 0.444566 0.106449 H\n0.392268 0.229816 0.238153 C\n0.392266 0.729722 0.738158 C\n0.153803 0.856131 0.738759 C\n0.153806 0.356223 0.238703 C\n0.915299 0.229808 0.238168 C\n0.653798 0.844194 0.736193 C\n0.915298 0.729715 0.738173 C\n0.653802 0.344284 0.236126 C\n0.948890 0.460252 0.739253 S\n0.948892 0.960352 0.239320 S\n0.358599 0.460259 0.739153 S\n0.358602 0.960358 0.239220 S\n0.153846 0.560702 0.239839 O\n0.153844 0.060619 0.739991 O\n",
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{
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"created_at": "2022-09-04T14:37:04.847685Z",
"updated_at": "2022-09-04T14:37:04.847727Z",
"structure_string": "Mn2 Ru1 C6 N6\n1.0\n2.999684 -5.195604 0.000000\n2.999683 5.195604 -0.000000\n0.000000 -0.000000 6.795122\nMn Ru C N\n2 1 6 6\ndirect\n0.333333 0.666666 0.500001 Mn\n0.666666 0.333333 0.499998 Mn\n0.000000 0.000000 0.000000 Ru\n0.259548 0.000001 0.813862 C\n0.740451 -0.000001 0.186138 C\n-0.000001 0.259547 0.813862 C\n0.740452 0.740451 0.813862 C\n0.259547 0.259548 0.186138 C\n0.000001 0.740452 0.186138 C\n0.390217 0.390227 0.316593 N\n0.000010 0.609782 0.316593 N\n-0.000010 0.390217 0.683407 N\n0.609772 -0.000010 0.316593 N\n0.390227 0.000010 0.683407 N\n0.609782 0.609772 0.683407 N\n",
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"formula_full": "Mn2 Ru1 C6 N6",
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{
"id": "jvasp-44395",
"created_at": "2022-09-04T14:38:31.198959Z",
"updated_at": "2022-09-04T14:38:31.198992Z",
"structure_string": "Li2 Sc1 Fe1 Si4 O12\n1.0\n4.829954 4.367711 0.010626\n-4.829954 4.367711 -0.010626\n-1.811237 0.000000 5.015968\nLi Sc Fe Si O\n2 1 1 4 12\ndirect\n0.745601 0.745601 0.750000 Li\n0.246502 0.246502 0.250000 Li\n0.092720 0.092720 0.750000 Sc\n0.905204 0.905205 0.250000 Fe\n0.209682 0.611626 0.758633 Si\n0.394534 0.790587 0.266886 Si\n0.611626 0.209683 0.741368 Si\n0.790586 0.394534 0.233115 Si\n0.887564 0.636219 0.158514 O\n0.664346 0.368021 0.469834 O\n0.374088 0.114095 0.653924 O\n0.627350 0.353074 0.959248 O\n0.368021 0.664346 0.030166 O\n0.200689 0.962133 0.164782 O\n0.353074 0.627351 0.540753 O\n0.114094 0.374089 0.846077 O\n0.791126 0.024839 0.866726 O\n0.024838 0.791126 0.633274 O\n0.636219 0.887564 0.341486 O\n0.962133 0.200689 0.335218 O\n",
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{
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"created_at": "2022-09-04T14:37:02.893319Z",
"updated_at": "2022-09-04T14:37:02.893340Z",
"structure_string": "Mg2 Al2 Se5\n1.0\n1.950178 -3.377806 0.000000\n1.950178 3.377806 -0.000000\n0.000000 0.000000 16.075288\nMg Al Se\n2 2 5\ndirect\n0.333333 0.666668 0.400655 Mg\n0.666668 0.333333 0.599345 Mg\n0.333333 0.666668 0.830932 Al\n0.666668 0.333333 0.169068 Al\n0.666668 0.333333 0.897273 Se\n0.333333 0.666668 0.102727 Se\n0.666668 0.333333 0.312546 Se\n0.333333 0.666668 0.687454 Se\n-0.000000 -0.000000 0.500000 Se\n",
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{
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"created_at": "2022-09-04T14:35:58.600050Z",
"updated_at": "2022-09-04T14:35:58.600071Z",
"structure_string": "Ba4 Fe1 Re1\n1.0\n-0.000000 4.731018 4.731018\n4.731018 -0.000000 4.731018\n4.731018 4.731018 -0.000000\nBa Fe Re\n4 1 1\ndirect\n0.124567 0.625145 0.625145 Ba\n0.625145 0.625145 0.625145 Ba\n0.625145 0.124567 0.625145 Ba\n0.625145 0.625145 0.124567 Ba\n0.250000 0.250000 0.250000 Fe\n0.000000 0.000000 0.000000 Re\n",
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{
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"created_at": "2022-09-04T14:38:43.681374Z",
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"structure_string": "Li12 C4 N8\n1.0\n4.632535 -0.000000 -1.892578\n0.000000 6.750165 0.000000\n-0.010025 -0.000000 6.776525\nLi C N\n12 4 8\ndirect\n0.253094 0.027509 0.995623 Li\n0.251009 0.699895 0.179036 Li\n0.251008 0.800104 0.679036 Li\n0.748989 0.300105 0.820962 Li\n0.254564 0.017276 0.370859 Li\n0.745434 0.517276 0.129140 Li\n0.748990 0.199895 0.320962 Li\n0.254564 0.482723 0.870859 Li\n0.253095 0.472491 0.495624 Li\n0.746904 0.972491 0.004375 Li\n0.746903 0.527508 0.504375 Li\n0.745434 0.982723 0.629139 Li\n0.842908 0.863948 0.370415 C\n0.157091 0.363948 0.129584 C\n0.157090 0.136051 0.629584 C\n0.842907 0.636051 0.870414 C\n0.001389 0.709688 0.371369 N\n0.425639 0.074227 0.720621 N\n0.574358 0.574227 0.779377 N\n0.574359 0.925772 0.279377 N\n0.425640 0.425772 0.220622 N\n-0.001390 0.290311 0.628630 N\n0.001388 0.790311 0.871369 N\n-0.001389 0.209688 0.128630 N\n",
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{
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"structure_string": "Si4 H4 O10\n1.0\n-3.243161 7.093933 1.784433\n3.106665 -7.509089 2.949878\n3.080188 7.490250 -3.083996\nSi H O\n4 4 10\ndirect\n0.654219 0.139425 0.717155 Si\n0.356979 0.880144 0.325852 Si\n0.844179 0.055065 0.017918 Si\n0.156335 0.958400 0.000217 Si\n0.140140 0.613421 0.484873 H\n0.667995 0.841886 0.647433 H\n0.464554 0.457156 0.657679 H\n0.166779 0.043701 0.325788 H\n0.308973 0.096263 0.462756 O\n0.730813 -0.049933 0.589809 O\n0.926966 0.518167 0.764610 O\n0.698913 0.069332 0.251478 O\n0.352220 0.847430 0.510624 O\n0.510412 0.175686 0.949323 O\n0.067220 0.051965 -0.027313 O\n0.576587 0.721385 0.786954 O\n0.069695 0.444404 0.102478 O\n0.116615 0.054561 0.251637 O\n",
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]
}