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{
"id": "jvasp-25637",
"created_at": "2022-09-04T14:37:42.519978Z",
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"structure_string": "Tm4 Se4 O12 F4\n1.0\n0.000000 6.549535 0.020355\n6.832595 0.000000 0.000000\n0.000000 -1.051965 -7.000321\nTm Se O F\n4 4 12 4\ndirect\n0.864015 0.858424 0.175138 Tm\n0.135987 0.141577 0.824862 Tm\n0.864015 0.641577 0.675138 Tm\n0.135986 0.358423 0.324862 Tm\n0.356562 0.882153 0.291985 Se\n0.356562 0.617848 0.791985 Se\n0.643440 0.117848 0.708016 Se\n0.643440 0.382153 0.208016 Se\n0.176435 0.806930 0.782336 O\n0.481409 0.311942 0.363621 O\n0.481409 0.188059 0.863621 O\n0.826107 0.966463 0.852978 O\n0.518593 0.688059 0.636379 O\n0.176435 0.693071 0.282336 O\n0.823567 0.306930 0.717665 O\n0.518593 0.811942 0.136379 O\n0.823566 0.193070 0.217665 O\n0.826106 0.533538 0.352978 O\n0.173895 0.466462 0.647022 O\n0.173895 0.033538 0.147022 O\n0.166229 0.113457 0.524874 F\n0.833773 0.613457 0.975126 F\n0.166229 0.386543 0.024874 F\n0.833772 0.886544 0.475126 F\n",
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{
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{
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"updated_at": "2022-09-04T14:38:00.248076Z",
"structure_string": "Li4 Mn2 V2 O8\n1.0\n5.993303 -0.427543 0.026304\n-0.061954 6.008215 0.026304\n-2.953064 -2.778469 4.045033\nLi Mn V O\n4 2 2 8\ndirect\n0.000000 0.500000 0.499999 Li\n0.500000 0.500000 0.499999 Li\n0.500000 -0.000000 -0.000001 Li\n0.500000 0.500000 -0.000001 Li\n0.000000 0.500000 -0.000001 Mn\n0.500000 -0.000000 0.499999 Mn\n0.000000 -0.000000 0.500000 V\n0.000000 0.000000 0.000000 V\n0.230144 0.769870 0.014401 O\n0.238029 0.244142 0.491147 O\n0.230130 0.769855 0.485596 O\n0.755857 0.761971 0.008850 O\n0.244142 0.238029 -0.008852 O\n0.769869 0.230144 0.514401 O\n0.761970 0.755858 0.508850 O\n0.769855 0.230130 0.985596 O\n",
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{
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"structure_string": "La2 Fe2 P2 O2\n1.0\n3.938150 -0.000000 0.000000\n0.000000 3.938150 -0.000000\n-0.000000 0.000000 8.458638\nLa Fe P O\n2 2 2 2\ndirect\n0.250000 0.250000 0.152133 La\n0.750000 0.750000 0.847867 La\n0.750000 0.250000 0.500000 Fe\n0.250000 0.750000 0.500000 Fe\n0.250000 0.250000 0.625541 P\n0.750000 0.750000 0.374459 P\n0.750000 0.250000 0.000000 O\n0.250000 0.750000 0.000000 O\n",
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{
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"structure_string": "Li4 Mn4 P4 O16\n1.0\n5.317198 -0.000000 0.000000\n-0.000000 8.594108 0.000000\n0.000000 0.000000 9.104154\nLi Mn P O\n4 4 4 16\ndirect\n0.250000 0.126338 0.898128 Li\n0.750000 0.626338 0.601871 Li\n0.250000 0.373662 0.398128 Li\n0.750000 0.873662 0.101871 Li\n0.250000 0.374324 0.101664 Mn\n0.750000 0.874324 0.398336 Mn\n0.250000 0.125676 0.601664 Mn\n0.750000 0.625676 0.898335 Mn\n0.250000 0.029146 0.244567 P\n0.750000 0.529146 0.255433 P\n0.250000 0.470854 0.744567 P\n0.750000 0.970854 0.755432 P\n0.988275 0.426193 0.255736 O\n0.750000 0.633964 0.115715 O\n0.250000 0.133963 0.384285 O\n0.011726 0.926193 0.244264 O\n0.488274 0.926193 0.244264 O\n0.750000 0.633421 0.394116 O\n0.250000 0.366579 0.605884 O\n0.488274 0.573808 0.744263 O\n0.988275 0.073808 0.755736 O\n0.750000 0.866037 0.615715 O\n0.250000 0.366037 0.884285 O\n0.011726 0.573808 0.744263 O\n0.511726 0.426193 0.255736 O\n0.750000 0.866579 0.894115 O\n0.511726 0.073808 0.755736 O\n0.250000 0.133421 0.105884 O\n",
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{
"id": "jvasp-28591",
"created_at": "2022-09-04T14:37:43.507147Z",
"updated_at": "2022-09-04T14:37:43.507172Z",
"structure_string": "Mo3 W1 Se2 S6\n1.0\n3.224755 0.000000 -0.000000\n-1.612379 2.790920 0.100388\n-0.000001 0.953638 25.398904\nMo W Se S\n3 1 2 6\ndirect\n0.291164 0.582327 0.001093 Mo\n0.458981 0.917963 0.500484 Mo\n0.540211 0.080417 0.255244 Mo\n0.709648 0.419293 0.746099 W\n0.647036 0.294068 0.933621 Se\n0.601957 0.203913 0.068565 Se\n0.186391 0.372783 0.316566 S\n0.355687 0.711376 0.807816 S\n0.812805 0.625607 0.439156 S\n0.771797 0.543591 0.561895 S\n0.227397 0.454796 0.193808 S\n0.396934 0.793866 0.684404 S\n",
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{
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"created_at": "2022-09-04T14:37:36.182838Z",
"updated_at": "2022-09-04T14:37:36.182865Z",
"structure_string": "Fe1 Cu2 Si1 Se4\n1.0\n5.570186 -0.000000 -0.000000\n0.000000 5.570186 0.000000\n-2.785093 -2.785093 5.524319\nFe Cu Si Se\n1 2 1 4\ndirect\n0.000000 0.000000 0.000000 Fe\n0.250001 0.750001 0.500000 Cu\n0.750001 0.250001 0.500000 Cu\n0.500000 0.500000 0.000000 Si\n0.380329 0.380329 0.246301 Se\n0.865973 0.865973 0.246301 Se\n0.134029 0.619672 0.753700 Se\n0.619672 0.134029 0.753700 Se\n",
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{
"id": "jvasp-45777",
"created_at": "2022-09-04T14:38:00.196820Z",
"updated_at": "2022-09-04T14:38:00.196838Z",
"structure_string": "Li4 V4 Si4 O16\n1.0\n4.808427 0.000000 0.000000\n-0.000000 5.504527 0.000000\n0.000000 0.000000 9.382677\nLi V Si O\n4 4 4 16\ndirect\n0.943167 0.750000 0.612877 Li\n0.556834 0.750000 0.112877 Li\n0.443167 0.250000 0.887123 Li\n0.056834 0.250000 0.387123 Li\n0.980239 0.250000 0.723955 V\n0.519762 0.250000 0.223955 V\n0.480238 0.750000 0.776046 V\n0.019762 0.750000 0.276046 V\n0.500000 0.000000 0.500000 Si\n0.500000 0.500000 0.500000 Si\n0.000000 0.500000 0.000000 Si\n0.000000 0.000000 0.000000 Si\n0.302035 0.503971 0.337535 O\n0.190168 0.750000 0.073985 O\n0.309832 0.750000 0.573985 O\n0.197965 0.996030 0.837535 O\n0.197965 0.503971 0.837535 O\n0.226585 0.250000 0.065974 O\n0.773416 0.750000 0.934027 O\n0.697966 0.003971 0.662465 O\n0.802035 0.003971 0.162465 O\n0.690168 0.250000 0.426015 O\n0.809833 0.250000 0.926015 O\n0.697966 0.496030 0.662465 O\n0.302035 0.996030 0.337535 O\n0.726585 0.750000 0.434027 O\n0.802035 0.496030 0.162465 O\n0.273416 0.250000 0.565974 O\n",
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{
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"created_at": "2022-09-04T14:37:58.920528Z",
"updated_at": "2022-09-04T14:37:58.920552Z",
"structure_string": "K2 Na1 Sb1 Br6\n1.0\n6.865758 -0.000000 3.963947\n2.288586 6.473099 3.963947\n-0.000000 -0.000000 7.927895\nK Na Sb Br\n2 1 1 6\ndirect\n0.750001 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Sb\n0.750991 0.249009 0.249009 Br\n0.249009 0.249009 0.750991 Br\n0.249009 0.750991 0.750991 Br\n0.249009 0.750991 0.249009 Br\n0.750991 0.249009 0.750991 Br\n0.750992 0.750991 0.249009 Br\n",
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{
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"created_at": "2022-09-04T14:37:58.887368Z",
"updated_at": "2022-09-04T14:37:58.887389Z",
"structure_string": "Ba2 Sn2 Ge6 O18\n1.0\n3.495801 -6.054905 0.000000\n3.495801 6.054905 -0.000000\n0.000000 -0.000000 10.406532\nBa Sn Ge O\n2 2 6 18\ndirect\n0.666667 0.333333 0.000000 Ba\n0.666667 0.333333 0.500000 Ba\n0.333333 0.666667 0.000000 Sn\n0.333333 0.666667 0.500000 Sn\n0.073002 0.294692 0.250000 Ge\n0.705308 0.778310 0.250000 Ge\n0.221690 0.926998 0.250000 Ge\n0.221690 0.294692 0.750000 Ge\n0.073002 0.778309 0.750000 Ge\n0.705308 0.926998 0.750000 Ge\n0.568273 0.926451 0.891602 O\n0.073549 0.431727 0.391602 O\n0.358178 0.926450 0.391602 O\n0.073549 0.431727 0.108398 O\n0.358178 0.926450 0.108398 O\n0.568273 0.641822 0.108398 O\n0.358178 0.431727 0.891602 O\n0.568273 0.926451 0.608398 O\n0.793780 0.066029 0.250000 O\n0.073549 0.641822 0.891602 O\n0.272249 0.206220 0.250000 O\n0.933971 0.727751 0.250000 O\n0.073549 0.641822 0.608398 O\n0.793780 0.727751 0.750000 O\n0.933971 0.206220 0.750000 O\n0.272249 0.066029 0.750000 O\n0.358178 0.431727 0.608398 O\n0.568273 0.641822 0.391602 O\n",
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},
{
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"created_at": "2022-09-04T14:38:00.400893Z",
"updated_at": "2022-09-04T14:38:00.400917Z",
"structure_string": "Sr4 Mg2 U2 O12\n1.0\n0.000000 5.816935 0.005274\n5.850154 0.000000 0.000000\n0.000000 -5.779924 -8.226370\nSr Mg U O\n4 2 2 12\ndirect\n0.741207 0.533188 0.248602 Sr\n0.258793 0.033188 0.251399 Sr\n0.741207 0.966811 0.748602 Sr\n0.258794 0.466811 0.751399 Sr\n0.500000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.000000 0.500000 0.000000 U\n0.000000 0.000000 0.500000 U\n0.173091 0.018680 0.748645 O\n0.252969 0.716007 0.540919 O\n0.323280 0.211984 0.538263 O\n0.676721 0.788016 0.461738 O\n0.747032 0.283993 0.459082 O\n0.323279 0.288016 0.038263 O\n0.173091 0.481320 0.248645 O\n0.252968 0.783992 0.040919 O\n0.826910 0.518679 0.751356 O\n0.747032 0.216007 0.959082 O\n0.826910 0.981320 0.251356 O\n0.676721 0.711983 0.961738 O\n",
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],
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{
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"created_at": "2022-09-04T14:38:03.740500Z",
"updated_at": "2022-09-04T14:38:03.740526Z",
"structure_string": "Li8 Ni2 B4 O12\n1.0\n3.201987 0.000000 0.000000\n0.000000 7.826958 0.000000\n0.000000 0.000000 9.279430\nLi Ni B O\n8 2 4 12\ndirect\n0.500001 0.831114 0.941993 Li\n0.000000 -0.000001 0.792534 Li\n0.500001 0.499999 0.707466 Li\n0.000000 0.331114 0.558007 Li\n0.000000 0.668886 0.441993 Li\n0.500001 0.500001 0.292534 Li\n0.000000 0.000001 0.207466 Li\n0.500001 0.168886 0.058007 Li\n0.000000 0.500000 0.000000 Ni\n0.500001 0.000000 0.500000 Ni\n0.500001 0.762357 0.197089 B\n0.000000 0.262356 0.302911 B\n0.500001 0.237644 0.802911 B\n0.000000 0.737644 0.697089 B\n0.000000 0.247405 0.154080 O\n0.500001 0.388782 0.888338 O\n0.000000 0.752595 0.845920 O\n0.500001 0.082413 0.868247 O\n0.000000 0.582413 0.631752 O\n0.500001 0.252595 0.654080 O\n0.000000 0.888782 0.611662 O\n0.000000 0.111218 0.388338 O\n0.500001 0.747405 0.345920 O\n0.000000 0.417587 0.368248 O\n0.500001 0.917587 0.131752 O\n0.500001 0.611218 0.111662 O\n",
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"formula_full": "Li8 Ni2 B4 O12",
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}