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{
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"results": [
{
"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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"formula_full": "Mo4 H24 N4 O12 F8",
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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",
"nsites": 3,
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"elements": [
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],
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"density": 2.907175168445894,
"density_atomic": 0.056571653188453745,
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"volume_molar": 10.645156046507612,
"formula_full": "Li2 Se1",
"formula_reduced": "Li2Se",
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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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"elements": [
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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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"formula_anonymous": "ABC2D6",
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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",
"nsites": 10,
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},
{
"id": "jvasp-113170",
"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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"elements": [
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],
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"density_atomic": 0.10392314041775198,
"volume": 259.8073912264867,
"volume_molar": 5.794802520201081,
"formula_full": "V2 Co1 P2 H8 O14",
"formula_reduced": "V2CoP2(H4O7)2",
"formula_anonymous": "AB2C2D8E14",
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{
"id": "jvasp-47538",
"created_at": "2022-09-04T14:35:57.472538Z",
"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",
"nsites": 15,
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],
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"volume": 155.75481677684175,
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"formula_full": "Li4 Mn1 P2 O8",
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},
{
"id": "jvasp-94135",
"created_at": "2022-09-04T14:35:53.642468Z",
"updated_at": "2022-09-04T14:35:53.642488Z",
"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",
"nsites": 8,
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],
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"density": 2.9066042716974096,
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"volume": 159.44887904480484,
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"formula_full": "Mg6 Ga1 Cu1",
"formula_reduced": "Mg6GaCu",
"formula_anonymous": "ABC6",
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"spacegroup": 38
},
{
"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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"created_at": "2022-09-04T14:36:47.404455Z",
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"structure_string": "Cd1 H6 C5 O4\n1.0\n3.972259 -0.010912 -0.170243\n-1.005609 4.181129 -0.926771\n0.104663 0.111279 8.317823\nCd H C O\n1 6 5 4\ndirect\n0.226051 0.209788 0.759594 Cd\n0.736554 0.366062 0.452042 H\n0.351526 0.360845 0.342574 H\n0.933305 0.464271 0.206350 H\n0.375050 0.573712 0.098970 H\n0.029797 0.853865 0.331759 H\n0.545858 0.984895 0.186844 H\n0.523396 0.746168 0.546607 C\n0.599166 0.518217 0.399085 C\n0.817446 0.654495 0.270311 C\n0.613520 0.757865 0.138545 C\n0.815900 0.782600 0.988013 C\n0.269183 0.651519 0.629661 O\n0.704616 0.032924 0.588854 O\n0.039104 0.041149 0.988964 O\n0.762239 0.537974 0.868653 O\n",
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{
"id": "jvasp-94231",
"created_at": "2022-09-04T14:35:53.359439Z",
"updated_at": "2022-09-04T14:35:53.359458Z",
"structure_string": "Mg6 Ga1 Fe1\n1.0\n6.095578 0.020930 0.000000\n-3.029664 5.289389 0.000000\n0.000000 0.000000 4.801046\nMg Ga Fe\n6 1 1\ndirect\n0.168098 0.841227 0.250000 Mg\n0.658774 0.331902 0.250000 Mg\n0.665572 0.834429 0.250000 Mg\n0.327997 0.646660 0.750001 Mg\n0.853341 0.172004 0.750001 Mg\n0.834213 0.665788 0.750001 Mg\n0.322691 0.177309 0.750001 Ga\n0.169315 0.330685 0.250000 Fe\n",
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{
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"created_at": "2022-09-04T14:38:52.768793Z",
"updated_at": "2022-09-04T14:38:52.768821Z",
"structure_string": "Li1 Y1 O1\n1.0\n2.696063 1.598253 0.000000\n0.901410 7.442809 0.000000\n0.000000 0.000000 3.432140\nLi Y O\n1 1 1\ndirect\n-0.087969 -0.122441 0.000000 Li\n0.223526 0.341249 0.000000 Y\n0.080456 0.097327 0.000000 O\n",
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"formula_full": "Li1 Y1 O1",
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{
"id": "jvasp-37099",
"created_at": "2022-09-04T14:38:03.479428Z",
"updated_at": "2022-09-04T14:38:03.479445Z",
"structure_string": "Sc1 Al3\n1.0\n4.031181 0.000000 -0.000000\n0.000000 4.031181 0.000000\n-2.015591 -2.015591 4.428129\nSc Al\n1 3\ndirect\n0.000000 0.000000 0.000000 Sc\n0.250000 0.750000 0.500000 Al\n0.750000 0.250000 0.500000 Al\n0.500000 0.500000 0.000000 Al\n",
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]
}