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{
"id": "jvasp-26410",
"created_at": "2022-09-04T14:37:45.752217Z",
"updated_at": "2022-09-04T14:37:45.752237Z",
"structure_string": "Li1 Sc1 As2 O7\n1.0\n4.861528 -0.008855 -0.734439\n-1.021163 5.253772 -1.238841\n-0.013562 -0.008467 5.493592\nLi Sc As O\n1 1 2 7\ndirect\n0.500002 0.248292 0.751703 Li\n0.500005 0.628760 0.371236 Sc\n0.908718 0.181094 0.253632 As\n0.091289 0.746365 0.818907 As\n0.220514 0.335649 0.448526 O\n0.752107 0.963157 0.386133 O\n-0.000002 0.039780 0.960218 O\n0.317228 0.861628 0.645728 O\n0.682773 0.354268 0.138365 O\n0.779483 0.551475 0.664351 O\n0.247891 0.613870 0.036848 O\n",
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{
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"structure_string": "Li2 Sb2 W2 O12\n1.0\n3.725093 2.098589 -5.905679\n-0.007796 4.275552 5.905679\n3.565837 -2.079540 5.893570\nLi Sb W O\n2 2 2 12\ndirect\n0.125000 0.375000 0.375000 Li\n0.624999 0.875000 0.375000 Li\n0.124999 0.875000 0.375000 Sb\n0.125000 0.875000 0.875000 Sb\n0.125000 0.375000 0.875000 W\n0.625000 0.875000 0.875000 W\n0.447079 0.941570 0.945498 O\n0.428076 0.571924 0.928093 O\n0.191570 0.197079 0.804502 O\n0.802915 0.808464 0.189994 O\n0.447084 0.941535 0.560005 O\n0.039509 0.960490 0.539515 O\n0.058464 0.552916 0.560005 O\n0.802920 0.808430 0.804501 O\n0.210490 0.789510 0.210485 O\n0.191536 0.197084 0.189995 O\n0.058430 0.552921 0.945499 O\n0.821924 0.178076 0.821907 O\n",
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"density_atomic": 0.06573041382348095,
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"formula_full": "Li2 Sb2 W2 O12",
"formula_reduced": "LiSbWO6",
"formula_anonymous": "ABCD6",
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{
"id": "jvasp-43093",
"created_at": "2022-09-04T14:36:05.742918Z",
"updated_at": "2022-09-04T14:36:05.742948Z",
"structure_string": "Li1 Sb1 Te3 O12\n1.0\n5.046461 0.000560 0.001476\n0.002956 5.339136 0.045252\n0.002725 0.488084 7.338365\nLi Sb Te O\n1 1 3 12\ndirect\n0.000917 0.420811 0.212657 Li\n0.997457 0.002746 0.997869 Sb\n0.497831 0.510071 0.997226 Te\n0.001096 0.001956 0.507453 Te\n0.502331 0.507766 0.505883 Te\n0.308619 0.207264 0.076851 O\n0.184886 0.325652 0.436339 O\n0.823508 0.339864 0.949564 O\n0.356951 0.503959 0.750584 O\n0.638695 0.517366 0.254953 O\n0.819776 0.685629 0.574948 O\n0.143146 0.005263 0.747715 O\n0.665642 0.828961 0.935959 O\n0.872804 0.029992 0.259671 O\n0.685138 0.191890 0.577344 O\n0.184204 0.685367 0.075737 O\n0.317011 0.821043 0.432045 O\n",
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"formula_full": "Li1 Sb1 Te3 O12",
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{
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"created_at": "2022-09-04T14:36:34.194937Z",
"updated_at": "2022-09-04T14:36:34.194950Z",
"structure_string": "Li1 Sb1 Te3 O12\n1.0\n0.000000 4.815987 -0.009497\n8.538039 0.000000 0.000000\n0.000000 -0.031960 -5.232938\nLi Sb Te O\n1 1 3 12\ndirect\n0.500000 0.793482 0.500000 Li\n0.000000 0.902577 0.000000 Sb\n0.500000 0.583777 0.000000 Te\n0.500000 0.397961 0.500000 Te\n-0.000000 0.086759 0.500000 Te\n0.783268 0.070171 0.806575 O\n0.246234 0.248293 0.645407 O\n0.222217 0.922140 0.676783 O\n0.289145 0.572892 0.677940 O\n0.710856 0.572892 0.322061 O\n0.753767 0.248293 0.354594 O\n0.738824 0.741913 0.851224 O\n0.216732 0.070171 0.193426 O\n0.261176 0.741913 0.148777 O\n0.284503 0.418673 0.183241 O\n0.777784 0.922140 0.323218 O\n0.715497 0.418673 0.816760 O\n",
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"elements": [
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"volume": 215.17621303025143,
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"formula_full": "Li1 Sb1 Te3 O12",
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{
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"created_at": "2022-09-04T14:36:38.487602Z",
"updated_at": "2022-09-04T14:36:38.487629Z",
"structure_string": "Li1 Sb1 Te3 O12\n1.0\n-5.061071 -0.000101 0.001370\n-0.000722 -5.322114 -0.032805\n0.016815 0.484063 7.334552\nLi Sb Te O\n1 1 3 12\ndirect\n0.497506 0.925399 0.787754 Li\n0.998785 0.005935 0.006455 Sb\n0.002550 0.003573 0.496817 Te\n0.498753 0.501435 0.002358 Te\n0.501291 0.497629 0.494146 Te\n0.676259 0.189869 0.927732 O\n0.321265 0.182005 0.426974 O\n0.815868 0.318950 0.570167 O\n0.180013 0.334686 0.066384 O\n0.368304 0.521684 0.744920 O\n0.801284 0.692328 0.924731 O\n0.858561 0.002089 0.256774 O\n0.186652 0.685679 0.425132 O\n0.683733 0.819443 0.566857 O\n0.334484 0.828503 0.051852 O\n0.644518 0.501830 0.249456 O\n0.135576 0.010513 0.744262 O\n",
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"density_atomic": 0.08608454083064093,
"volume": 197.48028898063217,
"volume_molar": 6.995612338628494,
"formula_full": "Li1 Sb1 Te3 O12",
"formula_reduced": "LiSb(TeO4)3",
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{
"id": "jvasp-43419",
"created_at": "2022-09-04T14:38:11.046369Z",
"updated_at": "2022-09-04T14:38:11.046378Z",
"structure_string": "Li4 Sb1 Te3 O12\n1.0\n0.000000 5.050456 0.048943\n9.193612 0.000000 0.000000\n0.000000 -0.429635 -5.180252\nLi Sb Te O\n4 1 3 12\ndirect\n0.000000 0.317490 0.000000 Li\n0.500000 0.142536 0.000000 Li\n-0.000000 0.673670 0.500000 Li\n0.500000 0.843936 0.500000 Li\n0.000000 0.895799 0.000000 Sb\n0.500000 0.594670 0.000000 Te\n-0.000000 0.086201 0.500000 Te\n0.500000 0.398365 0.500000 Te\n0.778932 0.058148 0.792442 O\n0.284479 0.556116 0.650575 O\n0.212116 0.924156 0.691232 O\n0.210182 0.224784 0.701398 O\n0.789818 0.224784 0.298603 O\n0.284859 0.437203 0.147144 O\n0.715520 0.556116 0.349425 O\n0.221068 0.058148 0.207559 O\n0.715141 0.437203 0.852856 O\n0.233623 0.752718 0.191589 O\n0.787884 0.924156 0.308768 O\n0.766377 0.752718 0.808411 O\n",
"nsites": 20,
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"density_atomic": 0.08321690131805422,
"volume": 240.33579336918814,
"volume_molar": 7.236679886677627,
"formula_full": "Li4 Sb1 Te3 O12",
"formula_reduced": "Li4Sb(TeO4)3",
"formula_anonymous": "AB3C4D12",
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{
"id": "jvasp-50706",
"created_at": "2022-09-04T14:36:18.692110Z",
"updated_at": "2022-09-04T14:36:18.692125Z",
"structure_string": "Li1 Sb3 P2 O10\n1.0\n-5.316160 0.463483 -0.178509\n0.049107 -6.817914 -0.266280\n2.377901 2.541345 6.260107\nLi Sb P O\n1 3 2 10\ndirect\n0.920151 0.395621 0.892078 Li\n0.553950 0.470358 0.332097 Sb\n-0.076725 -0.001211 0.047798 Sb\n0.366378 0.133820 0.780958 Sb\n0.621613 0.988430 0.387947 P\n0.316716 0.577295 0.721206 P\n0.734765 0.062988 0.640269 O\n0.480220 0.825303 0.864170 O\n0.452065 0.747608 0.258667 O\n0.263439 0.518868 0.475228 O\n0.048590 0.534884 0.744078 O\n0.238146 0.294277 0.035067 O\n0.732358 0.240529 0.046155 O\n0.517829 0.446168 0.804709 O\n0.879347 0.020035 0.330564 O\n0.435455 0.134606 0.326911 O\n",
"nsites": 16,
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"elements": [
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"density_atomic": 0.07274427895661292,
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"formula_full": "Li1 Sb3 P2 O10",
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{
"id": "jvasp-42969",
"created_at": "2022-09-04T14:37:27.457875Z",
"updated_at": "2022-09-04T14:37:27.457903Z",
"structure_string": "Li2 Sb2 P4 O16\n1.0\n0.000000 4.836965 0.017339\n5.784516 0.000000 0.000000\n0.000000 -0.155246 -9.846560\nLi Sb P O\n2 2 4 16\ndirect\n0.601540 0.250000 0.221010 Li\n0.398460 0.750001 0.778990 Li\n0.062851 0.750001 0.276546 Sb\n0.937150 0.250000 0.723454 Sb\n0.635776 0.750001 0.086203 P\n0.111581 0.250000 0.413193 P\n0.888419 0.750001 0.586807 P\n0.364224 0.250000 0.913797 P\n0.203225 0.045792 0.835804 O\n0.203225 0.454208 0.835804 O\n0.737519 0.534564 0.653017 O\n0.737519 0.965437 0.653017 O\n0.192822 0.750001 0.607179 O\n0.199004 0.250000 0.568363 O\n0.800996 0.750001 0.431637 O\n0.796775 0.545792 0.164196 O\n0.262482 0.465437 0.346983 O\n0.262482 0.034564 0.346983 O\n0.675385 0.250000 0.873569 O\n0.796775 0.954209 0.164196 O\n0.324615 0.750001 0.126431 O\n0.348583 0.250000 0.063766 O\n0.807178 0.250000 0.392821 O\n0.651417 0.750001 0.936234 O\n",
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"formula_full": "Li2 Sb2 P4 O16",
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},
{
"id": "jvasp-50712",
"created_at": "2022-09-04T14:35:47.153020Z",
"updated_at": "2022-09-04T14:35:47.153036Z",
"structure_string": "Li3 Sb1 P2 O8\n1.0\n5.146346 -0.012365 0.013312\n1.992728 4.745469 0.014592\n0.163971 0.104951 6.242047\nLi Sb P O\n3 1 2 8\ndirect\n0.350793 0.820997 0.295760 Li\n0.969225 0.532279 0.500914 Li\n0.680959 0.150309 0.706228 Li\n0.011715 0.489778 0.000975 Sb\n0.355912 0.853759 0.760855 P\n0.647662 0.145650 0.241161 P\n0.749950 0.278604 0.417813 O\n0.742001 0.216468 0.014996 O\n0.682572 0.750255 0.731002 O\n0.251855 0.186715 0.750314 O\n0.750999 0.819044 0.270961 O\n0.314650 0.249891 0.251753 O\n0.284992 0.759508 0.987010 O\n0.222799 0.751642 0.584203 O\n",
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"formula_full": "Li3 Sb1 P2 O8",
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"formula_anonymous": "AB2C3D8",
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},
{
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"created_at": "2022-09-04T14:37:40.566389Z",
"updated_at": "2022-09-04T14:37:40.566408Z",
"structure_string": "Li2 S2 O6 F2\n1.0\n4.726562 -0.055583 0.062294\n-0.069479 5.624531 -0.656692\n0.069479 -0.014102 5.662720\nLi S O F\n2 2 6 2\ndirect\n0.000000 0.808386 0.808387 Li\n0.000000 0.191614 0.191614 Li\n0.711254 0.707851 0.292150 S\n0.288745 0.292150 0.707850 S\n0.232264 0.211125 0.463101 O\n0.767736 0.463102 0.211124 O\n0.195254 0.126079 0.873921 O\n0.804745 0.873922 0.126079 O\n0.232264 0.536899 0.788875 O\n0.767736 0.788876 0.536899 O\n0.373813 0.717744 0.282256 F\n0.626186 0.282256 0.717744 F\n",
"nsites": 12,
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"elements": [
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],
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"density_atomic": 0.07975844098556586,
"volume": 150.4542948898873,
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"formula_full": "Li2 S2 O6 F2",
"formula_reduced": "LiSO3F",
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"spacegroup": 12
},
{
"id": "jvasp-117019",
"created_at": "2022-09-04T14:38:49.121904Z",
"updated_at": "2022-09-04T14:38:49.121931Z",
"structure_string": "Li2 Ru2 Rh2 O8\n1.0\n5.285719 0.017280 -2.865834\n-1.737527 4.838292 -3.118343\n0.021437 -0.017280 6.012601\nLi Ru Rh O\n2 2 2 8\ndirect\n0.877686 0.627686 0.250001 Li\n0.122314 0.372314 0.750000 Li\n0.500000 0.000000 0.000000 Ru\n0.500000 0.500000 0.500000 Ru\n0.000000 0.000000 0.000000 Rh\n0.500000 0.000000 0.500000 Rh\n0.723305 0.243258 0.480047 O\n0.263212 0.243258 0.019954 O\n0.262214 0.242480 0.480267 O\n0.262214 0.781947 0.019733 O\n0.276695 0.756741 0.519954 O\n0.736788 0.756741 0.980047 O\n0.737786 0.757519 0.519733 O\n0.737786 0.218053 0.980268 O\n",
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"elements": [
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],
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"volume": 153.87111179971777,
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"formula_full": "Li2 Ru2 Rh2 O8",
"formula_reduced": "LiRuRhO4",
"formula_anonymous": "ABCD4",
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"spacegroup": 74
},
{
"id": "jvasp-21735",
"created_at": "2022-09-04T14:37:31.392093Z",
"updated_at": "2022-09-04T14:37:31.392120Z",
"structure_string": "Li2 Pr4 Ir2 O12\n1.0\n0.000000 5.475844 0.001827\n5.790105 0.000000 0.000000\n0.000000 -5.406891 -7.801317\nLi Pr Ir O\n2 4 2 12\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.500000 Li\n0.767020 0.067101 0.251343 Pr\n0.232980 0.567101 0.248657 Pr\n0.767020 0.432898 0.751343 Pr\n0.232980 0.932898 0.748657 Pr\n0.499999 0.500000 -0.000000 Ir\n0.500000 0.000000 0.500000 Ir\n0.841469 0.193111 0.545177 O\n0.158531 0.693110 0.954823 O\n0.158531 0.806889 0.454823 O\n0.841468 0.306889 0.045177 O\n0.340906 0.522347 0.752712 O\n0.734716 0.788238 0.047550 O\n0.265283 0.211762 0.952450 O\n0.734716 0.711761 0.547550 O\n0.659094 0.477652 0.247288 O\n0.265283 0.288238 0.452450 O\n0.659094 0.022347 0.747288 O\n0.340905 0.977652 0.252712 O\n",
"nsites": 20,
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"elements": [
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"formula_full": "Li2 Pr4 Ir2 O12",
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"spacegroup": 14
}
]
}