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{
"id": "jvasp-40204",
"created_at": "2022-09-04T14:38:35.297292Z",
"updated_at": "2022-09-04T14:38:35.297327Z",
"structure_string": "Ca4 Sn4 S12\n1.0\n6.648226 -0.000000 0.000000\n-0.000000 7.093764 0.000000\n0.000000 0.000000 9.618045\nCa Sn S\n4 4 12\ndirect\n0.463769 0.403988 0.750000 Ca\n0.036231 0.903988 0.750000 Ca\n0.536231 0.596011 0.250000 Ca\n0.963770 0.096011 0.250000 Ca\n0.500000 0.000000 0.500000 Sn\n0.000000 0.500000 0.000000 Sn\n0.500000 0.000000 0.000000 Sn\n0.000000 0.500000 0.500000 Sn\n0.681450 0.312817 0.433949 S\n0.818551 0.812817 0.066050 S\n0.681450 0.312817 0.066050 S\n0.818551 0.812817 0.433949 S\n0.318551 0.687183 0.566050 S\n0.859998 0.547447 0.750000 S\n0.140002 0.452553 0.250000 S\n0.359998 0.952553 0.250000 S\n0.181449 0.187183 0.566050 S\n0.640002 0.047447 0.750000 S\n0.181449 0.187183 0.933949 S\n0.318551 0.687183 0.933949 S\n",
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{
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"updated_at": "2022-09-04T14:38:20.087404Z",
"structure_string": "Li12 Ga4 Ge4 O20\n1.0\n4.980660 0.000000 0.000000\n0.000000 5.480020 0.000000\n0.000000 0.000000 15.849888\nLi Ga Ge O\n12 4 4 20\ndirect\n0.492236 0.324509 0.403187 Li\n0.492120 0.329016 0.803034 Li\n0.992120 0.670984 0.196966 Li\n0.992120 0.170984 0.303034 Li\n0.494944 0.339427 0.995464 Li\n0.994944 0.660573 0.004536 Li\n0.492120 0.829016 0.696966 Li\n0.494944 0.839427 0.504536 Li\n0.492236 0.824509 0.096813 Li\n0.992236 0.175491 0.903187 Li\n0.992236 0.675491 0.596814 Li\n0.994944 0.160573 0.495464 Li\n0.492167 0.831747 0.299455 Ga\n0.492167 0.331747 0.200545 Ga\n0.992167 0.668253 0.799455 Ga\n0.992167 0.168253 0.700545 Ga\n0.498194 0.339893 0.595928 Ge\n0.998194 0.660107 0.404072 Ge\n0.998194 0.160107 0.095928 Ge\n0.498194 0.839893 0.904073 Ge\n0.597648 0.656242 0.204231 O\n0.097648 0.343757 0.795769 O\n0.113171 0.818857 0.308029 O\n0.613171 0.181143 0.691971 O\n0.613171 0.681143 0.808029 O\n0.113171 0.318857 0.191971 O\n0.102757 0.355528 0.397971 O\n0.602757 0.644472 0.602029 O\n0.602757 0.144472 0.897972 O\n0.102757 0.855527 0.102029 O\n0.604198 0.177927 0.507037 O\n0.604198 0.677927 0.992963 O\n0.104198 0.322073 0.007037 O\n0.632563 0.177464 0.104420 O\n0.132563 0.322536 0.604420 O\n0.132563 0.822536 0.895580 O\n0.597648 0.156242 0.295769 O\n0.632563 0.677464 0.395580 O\n0.104198 0.822073 0.492963 O\n0.097648 0.843757 0.704232 O\n",
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{
"id": "jvasp-113241",
"created_at": "2022-09-04T14:38:46.656821Z",
"updated_at": "2022-09-04T14:38:46.656849Z",
"structure_string": "Li4 Fe2 Cu2 P4 O16\n1.0\n6.032463 -0.000000 0.000000\n0.000000 4.715338 0.093047\n-0.000000 -0.026260 10.107099\nLi Fe Cu P O\n4 2 2 4 16\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 -0.000000 -0.000000 Li\n-0.000000 0.500000 0.500000 Li\n0.500000 0.500000 0.500000 Li\n0.750000 0.478412 0.781860 Fe\n0.250000 0.521589 0.218141 Fe\n0.250000 0.950129 0.716737 Cu\n0.750000 0.049871 0.283263 Cu\n0.750000 0.576628 0.094460 P\n0.250000 0.084584 0.405783 P\n0.750000 0.915416 0.594217 P\n0.250000 0.423372 0.905540 P\n0.959761 0.703095 0.163172 O\n0.540238 0.703095 0.163172 O\n0.450756 0.229872 0.332573 O\n0.049244 0.229872 0.332573 O\n0.250000 0.759363 0.400176 O\n0.750000 0.800555 0.451530 O\n0.250000 0.199446 0.548471 O\n0.250000 0.749042 0.906384 O\n0.950755 0.770129 0.667427 O\n0.549244 0.770129 0.667427 O\n0.459761 0.296905 0.836829 O\n0.040239 0.296905 0.836829 O\n0.750000 0.250959 0.093617 O\n0.750000 0.711797 0.951776 O\n0.750000 0.240638 0.599825 O\n0.250000 0.288204 0.048224 O\n",
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{
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"updated_at": "2022-09-04T14:38:06.604857Z",
"structure_string": "K1 Na2 Ir1 F6\n1.0\n5.427354 -0.000000 3.133484\n1.809118 5.116958 3.133484\n-0.000000 -0.000000 6.266969\nK Na Ir F\n1 2 1 6\ndirect\n0.500000 0.500000 0.499999 K\n0.750000 0.750000 0.749999 Na\n0.250000 0.250000 0.250000 Na\n0.000000 0.000000 0.000000 Ir\n0.771998 0.228002 0.228001 F\n0.228001 0.228002 0.771998 F\n0.228002 0.771999 0.771998 F\n0.228002 0.771999 0.228001 F\n0.771998 0.228002 0.771998 F\n0.771998 0.771999 0.228001 F\n",
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{
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"created_at": "2022-09-04T14:36:11.402084Z",
"updated_at": "2022-09-04T14:36:11.402108Z",
"structure_string": "Na8 Mg4 In4 F28\n1.0\n7.337701 0.000000 0.000000\n-0.000000 7.505257 0.000000\n0.000000 0.000000 10.276654\nNa Mg In F\n8 4 4 28\ndirect\n0.250000 0.255774 0.277889 Na\n0.000000 0.000000 0.000000 Na\n0.500000 0.000000 0.000000 Na\n0.750000 0.744226 0.722110 Na\n0.750000 0.755775 0.222111 Na\n0.250000 0.244226 0.777889 Na\n0.000000 0.500000 0.500000 Na\n0.500000 0.500000 0.500000 Na\n0.000000 0.500000 0.000000 Mg\n0.000000 0.000000 0.500000 Mg\n0.500000 0.500000 0.000000 Mg\n0.500000 0.000000 0.500000 Mg\n0.250000 0.716965 0.760405 In\n0.250000 0.783035 0.260405 In\n0.750000 0.216965 0.739595 In\n0.750000 0.283035 0.239595 In\n0.250000 0.470436 0.940921 F\n0.750000 0.529564 0.059079 F\n0.750000 0.970437 0.559079 F\n0.250000 0.029564 0.440921 F\n0.250000 0.483521 0.650827 F\n0.750000 0.516479 0.349172 F\n0.445865 0.706858 0.115358 F\n0.250000 0.962189 0.859692 F\n0.945865 0.293142 0.884642 F\n0.554135 0.206858 0.384642 F\n0.054135 0.793143 0.615358 F\n0.554135 0.293142 0.884642 F\n0.054135 0.706858 0.115358 F\n0.445865 0.793143 0.615358 F\n0.945865 0.206858 0.384642 F\n0.492522 0.324447 0.144644 F\n0.250000 0.016479 0.150827 F\n-0.007478 0.675553 0.855356 F\n0.007478 0.175553 0.644644 F\n0.507478 0.675553 0.855356 F\n0.007478 0.324447 0.144644 F\n0.492522 0.175553 0.644644 F\n-0.007478 0.824447 0.355356 F\n0.250000 0.537811 0.359693 F\n0.750000 0.462189 0.640307 F\n0.750000 0.037811 0.140307 F\n0.507478 0.824447 0.355356 F\n0.750000 -0.016479 0.849172 F\n",
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{
"id": "jvasp-106922",
"created_at": "2022-09-04T14:36:56.187553Z",
"updated_at": "2022-09-04T14:36:56.187569Z",
"structure_string": "Rb2 Sc1 Au1 Cl6\n1.0\n6.346269 -0.000000 3.664020\n2.115423 5.983320 3.664020\n-0.000000 -0.000000 7.328041\nRb Sc Au Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Sc\n0.500000 0.500000 0.500000 Au\n0.760314 0.239686 0.239686 Cl\n0.239686 0.239686 0.760314 Cl\n0.239686 0.760314 0.760314 Cl\n0.239686 0.760314 0.239686 Cl\n0.760314 0.239686 0.760314 Cl\n0.760314 0.760314 0.239686 Cl\n",
"nsites": 10,
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{
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"created_at": "2022-09-04T14:37:07.397019Z",
"updated_at": "2022-09-04T14:37:07.397049Z",
"structure_string": "Cu4 H4 Cl4 O4\n1.0\n5.406142 0.000000 -2.906539\n0.000000 6.737126 0.000000\n0.086899 0.000000 5.620414\nCu H Cl O\n4 4 4 4\ndirect\n0.030498 0.381824 0.777610 Cu\n0.969502 0.881824 0.722389 Cu\n0.969502 0.618177 0.222389 Cu\n0.030498 0.118177 0.277610 Cu\n0.702587 0.339719 0.941107 H\n0.297413 0.839720 0.558892 H\n0.297413 0.660281 0.058892 H\n0.702587 0.160281 0.441107 H\n0.322473 0.414630 0.636473 Cl\n0.677527 0.914630 0.863526 Cl\n0.677527 0.585371 0.363526 Cl\n0.322473 0.085371 0.136473 Cl\n0.884483 0.354320 0.038535 O\n0.115517 0.854320 0.461465 O\n0.115517 0.645680 0.961464 O\n0.884483 0.145680 0.538534 O\n",
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{
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"created_at": "2022-09-04T14:37:53.150112Z",
"updated_at": "2022-09-04T14:37:53.150124Z",
"structure_string": "Rb2 Mn1 F6\n1.0\n5.178554 0.000000 2.989840\n1.726185 4.882388 2.989840\n0.000000 0.000000 5.979680\nRb Mn F\n2 1 6\ndirect\n0.749999 0.750000 0.750001 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Mn\n0.216863 0.783136 0.783136 F\n0.216863 0.783136 0.216864 F\n0.783135 0.216864 0.783136 F\n0.783135 0.216864 0.216864 F\n0.783135 0.783136 0.216865 F\n0.216864 0.216864 0.783136 F\n",
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"spacegroup": 225
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{
"id": "jvasp-105055",
"created_at": "2022-09-04T14:36:50.539005Z",
"updated_at": "2022-09-04T14:36:50.539024Z",
"structure_string": "Rb2 Dy1 Cu1 Cl6\n1.0\n6.292473 -0.000000 3.632961\n2.097491 5.932601 3.632961\n-0.000000 -0.000000 7.265922\nRb Dy Cu Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Dy\n0.500000 0.500000 0.500000 Cu\n0.745245 0.254755 0.254755 Cl\n0.254755 0.254755 0.745245 Cl\n0.254755 0.745245 0.745245 Cl\n0.254755 0.745245 0.254755 Cl\n0.745245 0.254755 0.745245 Cl\n0.745244 0.745245 0.254755 Cl\n",
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},
{
"id": "jvasp-47439",
"created_at": "2022-09-04T14:38:10.741945Z",
"updated_at": "2022-09-04T14:38:10.741974Z",
"structure_string": "Li3 Mn3 O5 F3\n1.0\n5.719584 0.015963 0.007361\n-2.630843 5.180621 0.009279\n-2.858246 -1.784052 4.829132\nLi Mn O F\n3 3 5 3\ndirect\n0.007562 0.027923 0.991046 Li\n0.242073 0.619379 0.871744 Li\n0.499196 0.226704 0.754185 Li\n0.750889 0.130749 0.383031 Mn\n0.749243 0.612296 0.389238 Mn\n0.248296 0.625854 0.373981 Mn\n0.755022 0.383740 0.595900 O\n0.301630 0.425407 0.161253 O\n0.715553 0.871721 0.576715 O\n0.783331 0.376595 0.176305 O\n0.197240 0.827517 0.586919 O\n0.264609 0.380514 0.647267 F\n0.239455 0.870135 0.100070 F\n0.745890 0.871462 0.142343 F\n",
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"formula_full": "Li3 Mn3 O5 F3",
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{
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"created_at": "2022-09-04T14:38:15.092600Z",
"updated_at": "2022-09-04T14:38:15.092610Z",
"structure_string": "Al2 Mo6 F30\n1.0\n9.888766 0.192386 0.000000\n-1.537760 5.482995 0.000000\n0.000000 0.000000 9.790576\nAl Mo F\n2 6 30\ndirect\n0.906543 0.446458 0.250000 Al\n0.426791 0.553544 0.750000 Al\n0.166667 0.000000 0.500000 Mo\n0.505200 0.021431 0.454391 Mo\n0.828133 0.978571 0.545609 Mo\n0.166667 0.000000 0.000000 Mo\n0.505200 0.021431 0.045609 Mo\n0.828133 0.978571 0.954391 Mo\n0.500756 0.327198 0.109105 F\n0.882284 0.248040 0.109373 F\n0.200106 0.280649 0.397805 F\n0.500756 0.327198 0.390895 F\n0.882284 0.248040 0.390627 F\n0.133228 0.719352 0.602196 F\n0.363941 0.118244 0.912567 F\n0.832578 0.672804 0.609105 F\n0.026624 0.126532 0.883895 F\n0.200106 0.280649 0.102195 F\n0.686587 0.189914 0.944080 F\n0.306710 0.873469 0.116105 F\n0.451050 0.751961 0.609373 F\n0.832578 0.672804 0.890896 F\n0.646747 0.810088 0.444080 F\n0.133228 0.719352 0.897805 F\n0.969393 0.881758 0.412567 F\n0.646747 0.810088 0.055920 F\n0.306710 0.873469 0.383895 F\n0.686587 0.189914 0.555920 F\n0.363941 0.118244 0.587434 F\n0.026624 0.126532 0.616105 F\n0.770166 0.000724 0.750000 F\n0.561666 0.427935 0.750000 F\n0.259234 0.400931 0.750000 F\n0.771669 0.572067 0.250000 F\n0.563168 0.999278 0.250000 F\n0.074099 0.599070 0.250000 F\n0.451050 0.751961 0.890627 F\n0.969393 0.881758 0.087434 F\n",
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{
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"created_at": "2022-09-04T14:38:43.038406Z",
"updated_at": "2022-09-04T14:38:43.038444Z",
"structure_string": "Cr1 N1 O3\n1.0\n2.366498 1.366298 2.614813\n-2.366498 1.366298 2.614813\n0.000000 -2.732596 2.614813\nCr N O\n1 1 3\ndirect\n0.076950 0.076950 0.076954 Cr\n0.502060 0.502060 0.502062 N\n0.885858 0.418264 0.418266 O\n0.418264 0.418264 0.885860 O\n0.418264 0.885858 0.418266 O\n",
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"spacegroup": 160
}
]
}