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{
"id": "jvasp-103963",
"created_at": "2022-09-04T14:37:02.118690Z",
"updated_at": "2022-09-04T14:37:02.118700Z",
"structure_string": "Cd1 H6 C5 O4\n1.0\n3.971338 -0.071611 -0.137775\n-0.925572 4.202753 -0.892935\n0.046874 0.029154 8.326286\nCd H C O\n1 6 5 4\ndirect\n0.576457 0.493157 0.765801 Cd\n0.426432 0.130600 0.426401 H\n0.257002 0.718988 0.338911 H\n0.867769 0.239139 0.319010 H\n0.064805 0.337351 0.073594 H\n0.772447 0.849159 0.193945 H\n0.449973 0.342420 0.182671 H\n0.985979 0.921381 0.537489 C\n0.188470 0.946041 0.386991 C\n0.984282 0.048851 0.255222 C\n0.202442 0.185046 0.126411 C\n0.278322 0.956889 0.978909 C\n0.039751 0.166095 0.656824 O\n0.762766 0.662981 0.536610 O\n0.097107 0.670217 0.936692 O\n0.532635 0.051365 0.895815 O\n",
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{
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"structure_string": "Mg6 Ga1 Cu1\n1.0\n6.090748 0.017482 0.000000\n-3.030234 5.283483 0.000000\n0.000000 0.000000 4.946707\nMg Ga Cu\n6 1 1\ndirect\n0.164166 0.846269 0.250000 Mg\n0.653731 0.335834 0.250000 Mg\n0.663034 0.836965 0.250000 Mg\n0.335183 0.639998 0.750000 Mg\n0.860002 0.164817 0.750000 Mg\n0.838859 0.661140 0.750000 Mg\n0.346261 0.153738 0.750000 Ga\n0.138768 0.361232 0.250000 Cu\n",
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{
"id": "jvasp-47538",
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"updated_at": "2022-09-04T14:35:57.472566Z",
"structure_string": "Li4 Mn1 P2 O8\n1.0\n4.990907 0.046093 0.000687\n-0.780532 5.089123 0.089488\n-0.472759 -0.544343 6.114007\nLi Mn P O\n4 1 2 8\ndirect\n0.152854 0.295475 0.513356 Li\n0.354398 0.617664 0.208847 Li\n0.645603 0.382335 0.791154 Li\n0.847147 0.704524 0.486645 Li\n0.000000 0.000000 0.000000 Mn\n0.367598 0.820720 0.728708 P\n0.632403 0.179280 0.271294 P\n0.226784 0.690954 0.921398 O\n0.238869 0.677271 0.509694 O\n0.323823 0.201236 0.246278 O\n0.306064 0.110018 0.742102 O\n0.693937 0.889982 0.257899 O\n0.676178 0.798763 0.753723 O\n0.761132 0.322728 0.490308 O\n0.773217 0.309046 0.078604 O\n",
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{
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"created_at": "2022-09-04T14:38:47.048901Z",
"updated_at": "2022-09-04T14:38:47.048926Z",
"structure_string": "V2 Co1 P2 H8 O14\n1.0\n5.775752 -0.000031 -2.463517\n1.050763 5.679295 2.463476\n-0.024348 0.029176 7.945761\nV Co P H O\n2 1 2 8 14\ndirect\n0.277333 0.722663 0.554652 V\n0.722664 0.277338 0.445344 V\n0.000000 -0.000000 0.000000 Co\n0.250002 0.249998 0.500004 P\n0.749995 0.750003 0.499993 P\n0.708438 0.123195 0.122197 H\n0.413758 0.754606 0.122196 H\n0.245370 0.291585 0.122180 H\n0.876827 0.586226 0.122215 H\n0.291560 0.876801 0.877804 H\n0.586243 0.245396 0.877805 H\n0.123175 0.413772 0.877786 H\n0.754626 0.708416 0.877822 H\n0.343043 0.378088 0.638939 O\n0.982970 0.343034 0.361087 O\n0.704092 0.017038 0.361075 O\n0.378090 0.295910 0.361071 O\n0.621907 0.704091 0.638927 O\n0.295905 0.982963 0.638922 O\n0.846741 0.153254 0.693516 O\n0.262144 0.799994 -0.000002 O\n0.737857 0.200004 0.000005 O\n0.199978 0.262160 -0.000011 O\n0.153256 0.846747 0.306481 O\n0.017026 0.656966 0.638910 O\n0.800022 0.737838 0.000014 O\n0.656956 0.621913 0.361058 O\n",
"nsites": 27,
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{
"id": "jvasp-103558",
"created_at": "2022-09-04T14:37:05.809235Z",
"updated_at": "2022-09-04T14:37:05.809257Z",
"structure_string": "Na2 In1 Ag1 Cl6\n1.0\n6.321255 -0.000000 3.649579\n2.107085 5.959737 3.649579\n-0.000000 -0.000000 7.299157\nNa In Ag Cl\n2 1 1 6\ndirect\n0.750001 0.750000 0.750000 Na\n0.250000 0.250000 0.250000 Na\n0.000000 0.000000 0.000000 In\n0.500001 0.500000 0.500000 Ag\n0.755268 0.244733 0.244733 Cl\n0.244733 0.244733 0.755267 Cl\n0.244734 0.755267 0.755267 Cl\n0.244734 0.755267 0.244733 Cl\n0.755268 0.244733 0.755267 Cl\n0.755268 0.755267 0.244733 Cl\n",
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"density_atomic": 0.03636611348986555,
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"formula_full": "Na2 In1 Ag1 Cl6",
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"spacegroup": 225
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{
"id": "jvasp-105656",
"created_at": "2022-09-04T14:36:17.018715Z",
"updated_at": "2022-09-04T14:36:17.018737Z",
"structure_string": "Na2 Li1 Lu1 Cl6\n1.0\n6.137369 0.000000 3.543411\n2.045790 5.786366 3.543411\n0.000000 0.000000 7.086823\nNa Li Lu Cl\n2 1 1 6\ndirect\n0.750000 0.750001 0.749999 Na\n0.250000 0.250000 0.250000 Na\n0.500000 0.500000 0.499999 Li\n0.000000 0.000000 0.000000 Lu\n0.746343 0.253658 0.253657 Cl\n0.253658 0.253658 0.746342 Cl\n0.253658 0.746343 0.746342 Cl\n0.253658 0.746343 0.253657 Cl\n0.746343 0.253658 0.746342 Cl\n0.746342 0.746343 0.253657 Cl\n",
"nsites": 10,
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"density_atomic": 0.03973381619232362,
"volume": 251.67479387323363,
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"formula_full": "Na2 Li1 Lu1 Cl6",
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{
"id": "jvasp-1381",
"created_at": "2022-09-04T14:36:22.047531Z",
"updated_at": "2022-09-04T14:36:22.047556Z",
"structure_string": "Li2 Se1\n1.0\n3.652104 -0.000000 2.108543\n1.217368 3.443236 2.108543\n0.000000 0.000000 4.217086\nLi Se\n2 1\ndirect\n0.250000 0.250000 0.250000 Li\n0.749999 0.750001 0.750000 Li\n0.000000 0.000000 0.000000 Se\n",
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},
{
"id": "jvasp-98944",
"created_at": "2022-09-04T14:38:13.224458Z",
"updated_at": "2022-09-04T14:38:13.224487Z",
"structure_string": "Mo4 H24 N4 O12 F8\n1.0\n4.277241 6.830653 -1.817842\n-4.277241 6.830653 1.817842\n0.009967 0.000000 7.891781\nMo H N O F\n4 24 4 12 8\ndirect\n0.984886 0.716570 0.739157 Mo\n0.716571 0.984885 0.760843 Mo\n0.015114 0.283429 0.260843 Mo\n0.283429 0.015114 0.239157 Mo\n0.666754 0.751749 0.327416 H\n0.751749 0.666754 0.172584 H\n0.248251 0.333245 0.827416 H\n0.806579 0.076629 0.368703 H\n0.076629 0.806578 0.131297 H\n0.193421 0.923370 0.631297 H\n0.923371 0.193421 0.868703 H\n0.757969 0.133367 0.145248 H\n0.133367 0.757969 0.354752 H\n0.242031 0.866632 0.854752 H\n0.866632 0.242031 0.645248 H\n0.333245 0.248250 0.672584 H\n0.885669 0.706843 0.338702 H\n0.706843 0.885669 0.161298 H\n0.630739 0.528290 0.865647 H\n0.369261 0.471709 0.134353 H\n0.471709 0.369261 0.365647 H\n0.577922 0.407698 0.733353 H\n0.528291 0.630738 0.634353 H\n0.422078 0.592301 0.266647 H\n0.592301 0.422078 0.233353 H\n0.114331 0.293156 0.661298 H\n0.293157 0.114330 0.838702 H\n0.407699 0.577921 0.766647 H\n0.535498 0.535497 0.750000 N\n0.464502 0.464502 0.250000 N\n0.246535 0.246534 0.750000 N\n0.753465 0.753465 0.250000 N\n0.158093 0.811701 0.243478 O\n0.197834 0.048874 0.446096 O\n0.811701 0.158093 0.256522 O\n0.841907 0.188298 0.756522 O\n0.188299 0.841906 0.743478 O\n0.048874 0.197833 0.053904 O\n0.568874 0.888247 0.767485 O\n0.951126 0.802166 0.946096 O\n0.431126 0.111752 0.232515 O\n0.111752 0.431126 0.267485 O\n0.888248 0.568873 0.732515 O\n0.802166 0.951125 0.553904 O\n0.762198 0.491401 0.086613 F\n0.089309 0.662146 0.532530 F\n0.662146 0.089309 0.967470 F\n0.910690 0.337853 0.467470 F\n0.337854 0.910690 0.032530 F\n0.237802 0.508599 0.913387 F\n0.508599 0.237801 0.586613 F\n0.491401 0.762198 0.413387 F\n",
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},
{
"id": "jvasp-38082",
"created_at": "2022-09-04T14:37:59.504716Z",
"updated_at": "2022-09-04T14:37:59.504741Z",
"structure_string": "Rb2 Na1 Sb1 Cl6\n1.0\n0.000000 5.323230 5.323230\n5.323230 0.000000 5.323230\n5.323230 5.323230 -0.000000\nRb Na Sb Cl\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750000 0.750000 Rb\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Sb\n0.248423 0.751577 0.751577 Cl\n0.248423 0.751577 0.248423 Cl\n0.751577 0.248423 0.751577 Cl\n0.751577 0.751577 0.248423 Cl\n0.248423 0.248423 0.751577 Cl\n0.751577 0.248423 0.248423 Cl\n",
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],
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"formula_full": "Rb2 Na1 Sb1 Cl6",
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{
"id": "jvasp-39218",
"created_at": "2022-09-04T14:37:47.282690Z",
"updated_at": "2022-09-04T14:37:47.282720Z",
"structure_string": "Li2 Mg1 Ge1\n1.0\n0.000000 3.162756 3.162756\n3.162756 0.000000 3.162756\n3.162756 3.162756 0.000000\nLi Mg Ge\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.500001 0.500001 0.500001 Li\n0.750000 0.750000 0.750000 Mg\n0.249999 0.249999 0.249999 Ge\n",
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},
{
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"created_at": "2022-09-04T14:38:31.895468Z",
"updated_at": "2022-09-04T14:38:31.895494Z",
"structure_string": "Li6 Mn2 P4 H2 O16\n1.0\n8.330685 0.000000 0.000000\n-0.000000 4.871343 1.192755\n-0.000000 0.087209 7.525702\nLi Mn P H O\n6 2 4 2 16\ndirect\n0.809753 0.065412 0.692441 Li\n0.655477 0.141391 0.377725 Li\n0.155476 0.858608 0.622275 Li\n0.309752 0.934587 0.307559 Li\n0.831758 0.605765 0.970944 Li\n0.331758 0.394235 0.029056 Li\n0.503220 0.761697 0.737859 Mn\n0.003220 0.238303 0.262141 Mn\n0.365640 0.375251 0.464308 P\n0.865640 0.624749 0.535692 P\n0.631859 0.121712 0.029948 P\n0.131858 0.878287 0.970052 P\n0.487431 0.680955 0.225981 H\n0.987432 0.319044 0.774019 H\n0.335479 0.630006 0.539133 O\n0.835479 0.369994 0.460867 O\n0.426469 0.490716 0.255710 O\n0.035125 0.635961 0.088366 O\n0.280292 0.765278 0.886323 O\n0.926469 0.509284 0.744291 O\n0.682342 0.920147 0.912286 O\n0.495122 0.180521 0.566257 O\n0.714865 0.791023 0.557996 O\n0.995122 0.819479 0.433744 O\n0.528701 0.968073 0.196909 O\n0.182342 0.079853 0.087715 O\n0.780292 0.234721 0.113677 O\n0.214865 0.208977 0.442004 O\n0.028701 0.031927 0.803091 O\n0.535125 0.364039 0.911634 O\n",
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"formula_full": "Li6 Mn2 P4 H2 O16",
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{
"id": "jvasp-75001",
"created_at": "2022-09-04T14:35:49.313619Z",
"updated_at": "2022-09-04T14:35:49.313635Z",
"structure_string": "K2 Be1 Mo1\n1.0\n-2.644096 2.644096 3.738852\n2.644096 -2.644096 3.738852\n2.644096 2.644096 -3.738852\nK Be Mo\n2 1 1\ndirect\n0.000000 0.000000 0.000000 K\n0.250000 0.750001 0.500001 K\n0.750001 0.250000 0.500001 Be\n0.500000 0.500000 0.000000 Mo\n",
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}
]
}