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{
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"results": [
{
"id": "jvasp-106846",
"created_at": "2022-09-04T14:36:45.906602Z",
"updated_at": "2022-09-04T14:36:45.906622Z",
"structure_string": "Ba1 Ga2 Si1 S6\n1.0\n5.993393 0.022882 -1.400718\n-1.176347 6.048658 -1.052870\n-0.049526 0.041928 6.385950\nBa Ga Si S\n1 2 1 6\ndirect\n0.469521 0.457671 0.443441 Ba\n0.998026 0.845686 0.265994 Ga\n0.263455 0.984416 0.858410 Ga\n0.844882 0.274512 0.995552 Si\n0.036739 0.711036 0.581899 S\n0.591320 0.049761 0.734940 S\n0.711954 0.575882 0.017470 S\n0.896590 0.190434 0.313701 S\n0.345240 0.899780 0.198530 S\n0.158311 0.326867 0.906104 S\n",
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"elements": [
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{
"id": "jvasp-104117",
"created_at": "2022-09-04T14:36:46.189190Z",
"updated_at": "2022-09-04T14:36:46.189221Z",
"structure_string": "H10 C17 S2\n1.0\n3.852877 0.051580 -0.329769\n-1.921739 6.063495 -0.687398\n0.259238 0.170879 12.686105\nH C S\n10 17 2\ndirect\n0.208577 0.700448 0.954301 H\n0.010073 0.902175 0.469867 H\n0.450939 0.784901 0.121032 H\n0.436797 0.169260 0.574854 H\n0.465416 0.086943 0.902046 H\n0.391788 0.785405 0.779731 H\n0.658062 0.174281 0.728427 H\n0.267829 0.902950 0.305036 H\n0.825597 0.871711 0.651015 H\n0.642002 0.197566 0.398713 H\n0.186325 0.733554 0.267890 C\n0.168296 0.305547 0.040021 C\n0.888101 0.740267 0.492966 C\n0.416987 0.633230 0.806570 C\n0.278872 0.670121 0.166544 C\n0.778116 0.723020 0.595100 C\n0.315296 0.585289 0.907101 C\n0.850245 0.552056 0.419952 C\n0.318998 0.384144 0.942505 C\n0.140553 0.445436 0.133247 C\n0.982842 0.558604 0.315178 C\n0.622302 0.517224 0.628692 C\n0.681288 0.347394 0.452908 C\n0.545922 0.286809 0.775691 C\n0.568700 0.330816 0.553433 C\n0.443688 0.238329 0.874374 C\n0.527164 0.483508 0.737555 C\n0.004325 0.033945 0.041589 S\n0.904308 0.314160 0.231871 S\n",
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"formula_full": "H10 C17 S2",
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{
"id": "jvasp-48611",
"created_at": "2022-09-04T14:36:46.343945Z",
"updated_at": "2022-09-04T14:36:46.343955Z",
"structure_string": "Li7 Mn1 O3 F3\n1.0\n5.278955 0.053137 -0.056603\n2.523964 5.006111 -0.064503\n2.111085 1.756440 5.051490\nLi Mn O F\n7 1 3 3\ndirect\n0.552801 0.853576 0.365867 Li\n0.115091 0.778806 0.651349 Li\n0.620591 0.697042 0.004753 Li\n0.397080 0.250688 0.997694 Li\n0.876980 0.223912 0.397628 Li\n0.217390 0.547855 0.333220 Li\n0.479971 0.114134 0.620863 Li\n0.945719 0.076110 0.002412 Mn\n0.229658 0.920999 0.239831 O\n0.768785 0.040624 0.775637 O\n0.571595 0.252582 0.246295 O\n0.442107 0.762605 0.727259 F\n0.892408 0.578521 0.249207 F\n0.154547 0.410079 0.726758 F\n",
"nsites": 14,
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"elements": [
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"density_atomic": 0.10466778674542522,
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"formula_full": "Li7 Mn1 O3 F3",
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"formula_anonymous": "AB3C3D7",
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{
"id": "jvasp-104110",
"created_at": "2022-09-04T14:36:46.442596Z",
"updated_at": "2022-09-04T14:36:46.442617Z",
"structure_string": "H6 C14 N2 O2\n1.0\n3.642955 0.068546 0.081845\n0.096018 5.639069 0.798323\n-0.055332 0.240980 11.019288\nH C N O\n6 14 2 2\ndirect\n0.343311 0.730027 0.226626 H\n0.856067 0.024609 0.031273 H\n0.384192 0.467461 0.651979 H\n0.181798 0.664534 0.447296 H\n0.821690 0.282919 0.602761 H\n0.024199 0.083227 0.809385 H\n0.055698 0.992687 0.729925 C\n0.942950 0.103751 0.615474 C\n0.985877 0.988659 0.511955 C\n0.147504 0.758250 0.525559 C\n0.261294 0.646207 0.641141 C\n0.215996 0.760794 0.744232 C\n0.856541 0.118885 0.395933 C\n0.757902 0.186196 0.197227 C\n0.742517 0.173269 0.072586 C\n0.570877 0.376448 0.007906 C\n0.430751 0.573755 0.059948 C\n0.451734 0.580547 0.185398 C\n0.621028 0.379175 0.253461 C\n0.328253 0.651130 0.866256 C\n0.280369 0.741615 0.967097 N\n0.689298 0.328237 0.378580 N\n0.504677 0.425923 0.882746 O\n0.909474 0.017735 0.289258 O\n",
"nsites": 24,
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"elements": [
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],
"chemical_system": "C-H-N-O",
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"density_atomic": 0.10637406773303541,
"volume": 225.61889858562387,
"volume_molar": 5.661286522494966,
"formula_full": "H6 C14 N2 O2",
"formula_reduced": "H3C7NO",
"formula_anonymous": "ABC3D7",
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"spacegroup": 1
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{
"id": "jvasp-47882",
"created_at": "2022-09-04T14:36:46.569617Z",
"updated_at": "2022-09-04T14:36:46.569638Z",
"structure_string": "Li3 Co2 Si2 O8\n1.0\n4.977475 -0.013432 -0.015946\n0.042676 5.279867 0.011648\n0.028592 0.044279 6.350767\nLi Co Si O\n3 2 2 8\ndirect\n0.497515 0.174208 0.996133 Li\n0.996569 0.823863 0.499610 Li\n0.001835 0.340355 0.246060 Li\n0.990733 0.828436 0.982866 Co\n0.499762 0.167394 0.497545 Co\n0.991175 0.324590 0.747268 Si\n0.495367 0.678052 0.245695 Si\n0.104904 0.182515 0.965900 O\n0.664939 0.279295 0.744657 O\n0.067841 0.625570 0.748365 O\n0.111002 0.190122 0.529507 O\n0.605298 0.828244 0.454181 O\n0.598644 0.378152 0.254007 O\n0.161429 0.686662 0.237484 O\n0.614922 0.826442 0.037871 O\n",
"nsites": 15,
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"elements": [
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"Si",
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"chemical_system": "Co-Li-O-Si",
"density": 3.212108389707184,
"density_atomic": 0.08987192477855993,
"volume": 166.90418099934183,
"volume_molar": 6.700803142737026,
"formula_full": "Li3 Co2 Si2 O8",
"formula_reduced": "Li3Co2(SiO4)2",
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"spacegroup": 1
},
{
"id": "jvasp-101877",
"created_at": "2022-09-04T14:36:46.717235Z",
"updated_at": "2022-09-04T14:36:46.717243Z",
"structure_string": "Sn1 H12 C7 O4\n1.0\n5.157872 0.017882 0.081255\n-0.744614 6.207067 -0.378830\n0.106525 0.295824 7.022876\nSn H C O\n1 12 7 4\ndirect\n-0.002488 0.667457 0.638762 Sn\n0.996057 0.273634 0.483713 H\n0.143884 0.469705 0.318458 H\n0.080028 0.892031 0.963178 H\n0.767248 0.920780 0.868400 H\n0.055710 0.076451 0.772165 H\n0.327234 0.390856 0.517517 H\n0.347555 0.327153 0.029327 H\n0.623238 0.280836 0.297879 H\n0.835498 0.136507 0.157981 H\n0.488653 0.827522 0.124128 H\n0.263887 0.968309 0.261930 H\n0.465291 0.117066 0.899688 H\n0.471326 0.948216 0.238995 C\n0.630104 0.161887 0.181141 C\n0.525339 0.248838 0.000888 C\n0.717193 0.400653 0.888611 C\n0.136046 0.417814 0.466784 C\n0.975962 0.924537 0.835985 C\n0.571434 0.863438 0.419735 C\n0.435629 0.859684 0.571928 O\n0.629928 0.480670 0.737268 O\n0.954292 0.445538 0.930743 O\n0.803346 0.801312 0.405653 O\n",
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"formula_full": "Sn1 H12 C7 O4",
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{
"id": "jvasp-103931",
"created_at": "2022-09-04T14:36:46.726764Z",
"updated_at": "2022-09-04T14:36:46.726784Z",
"structure_string": "Zn1 H18 C11 O4\n1.0\n3.954035 0.231494 0.187763\n1.496442 4.485093 0.217825\n-0.051332 -0.153297 15.538161\nZn H C O\n1 18 11 4\ndirect\n0.364480 0.077461 0.161838 Zn\n0.193128 0.773973 0.493602 H\n0.470479 0.310860 0.400061 H\n0.300924 0.164270 0.912772 H\n0.070491 0.218307 0.717195 H\n0.503528 0.179798 0.751719 H\n0.262850 0.262380 0.559138 H\n0.702214 0.212646 0.591811 H\n0.630042 0.726816 0.526786 H\n0.888217 0.169801 0.873298 H\n0.547186 0.653596 0.956929 H\n0.966695 0.636171 0.996599 H\n0.782778 0.689875 0.803819 H\n0.213316 0.660258 0.837637 H\n-0.002765 0.730606 0.649226 H\n0.435752 0.682700 0.681649 H\n0.371238 0.834448 0.338610 H\n0.795476 0.805939 0.373597 H\n0.907279 0.271891 0.432725 H\n0.793657 0.295685 0.048053 C\n0.822082 0.496986 0.972655 C\n0.027420 0.317497 0.894072 C\n0.056546 0.524341 0.818558 C\n0.232048 0.349385 0.737042 C\n0.631529 0.439087 0.421766 C\n0.431328 0.387078 0.579178 C\n0.465082 0.600178 0.505852 C\n0.644900 0.668624 0.351347 C\n0.829241 0.540665 0.266325 C\n0.267993 0.556468 0.662256 C\n0.065956 0.051119 0.065205 O\n0.765413 0.708158 0.198437 O\n0.062885 0.266660 0.266262 O\n0.496554 0.379699 0.092338 O\n",
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{
"id": "jvasp-101810",
"created_at": "2022-09-04T14:36:46.898942Z",
"updated_at": "2022-09-04T14:36:46.898963Z",
"structure_string": "H6 C6 S1 O1\n1.0\n4.058739 -0.014887 0.539164\n-0.469319 5.279618 1.919758\n-0.221144 0.184899 6.369715\nH C S O\n6 6 1 1\ndirect\n0.812875 -0.028118 0.182636 H\n0.458279 0.235139 0.473459 H\n0.399662 0.927617 0.927255 H\n0.058900 0.566533 0.283024 H\n0.790890 0.033558 0.550952 H\n0.469610 0.152983 0.114025 H\n0.257174 0.765617 0.918904 C\n0.073671 0.566111 0.111736 C\n0.918101 0.378508 0.060193 C\n0.235432 0.724237 0.722005 C\n0.589221 0.081250 0.444170 C\n0.698281 0.141046 0.193987 C\n-0.003559 0.443245 0.768949 S\n0.361449 0.854766 0.502389 O\n",
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}