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{
"id": "jvasp-48530",
"created_at": "2022-09-04T14:36:17.217956Z",
"updated_at": "2022-09-04T14:36:17.217983Z",
"structure_string": "Li14 V2 O10 F2\n1.0\n5.498529 -0.014894 0.012804\n2.705614 4.794354 0.006311\n0.262444 0.077571 10.615456\nLi V O F\n14 2 10 2\ndirect\n0.362847 0.984192 0.756893 Li\n0.368118 0.026849 0.128300 Li\n0.612666 0.384244 0.128123 Li\n0.313163 0.345221 0.933908 Li\n0.345465 0.312874 0.409043 Li\n0.007574 0.349610 0.257984 Li\n0.268708 0.686378 0.266156 Li\n0.702554 0.001075 0.261071 Li\n0.706976 0.290544 0.768847 Li\n0.955231 0.727805 0.758427 Li\n0.668905 0.648877 0.908179 Li\n0.652811 0.669915 0.433139 Li\n0.394241 0.626764 0.630799 Li\n0.996356 0.384907 0.626605 Li\n0.002137 0.985353 0.996236 V\n0.988121 -0.001315 0.496890 V\n0.001372 0.030581 0.169278 O\n0.681815 0.298313 0.952083 O\n0.317048 -0.006576 0.948165 O\n0.357406 0.320191 0.220438 O\n0.987918 0.316405 0.447516 O\n0.302509 0.679986 0.452968 O\n0.679253 0.634684 0.719426 O\n0.697658 0.985674 0.438448 O\n0.032470 -0.000332 0.669668 O\n0.989929 0.694943 0.937053 O\n0.634885 0.681013 0.216892 F\n0.319493 0.355589 0.717221 F\n",
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{
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"structure_string": "Ca1 C3\n1.0\n4.731413 -0.541143 -0.035440\n-2.389266 -2.967442 0.128146\n-0.020834 3.120038 -3.609384\nCa C\n1 3\ndirect\n0.992215 0.967511 -0.065326 Ca\n0.285304 0.054409 0.521664 C\n0.402765 0.877619 0.639001 C\n0.285278 0.465883 0.639155 C\n",
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{
"id": "jvasp-34903",
"created_at": "2022-09-04T14:37:07.196141Z",
"updated_at": "2022-09-04T14:37:07.196166Z",
"structure_string": "Li8 P4 O14\n1.0\n-5.190008 0.002372 -0.001450\n2.561606 6.626573 0.034622\n-0.004314 -2.047300 -8.287765\nLi P O\n8 4 14\ndirect\n0.252791 0.145080 0.012736 Li\n0.747208 0.854919 0.987264 Li\n0.605297 0.583303 0.241976 Li\n0.394702 0.416696 0.758023 Li\n0.975011 0.325211 0.211262 Li\n0.024987 0.674788 0.788737 Li\n0.949770 0.246190 0.552282 Li\n0.050229 0.753809 0.447718 Li\n0.782789 0.225005 0.848506 P\n0.217210 0.774994 0.151493 P\n0.430180 0.213826 0.371328 P\n0.569818 0.786174 0.628671 P\n0.319594 0.271756 0.532097 O\n0.731347 0.040726 0.682143 O\n0.268651 0.959273 0.317857 O\n0.340323 0.296980 0.237652 O\n0.659675 0.703019 0.762348 O\n0.680405 0.728243 0.467903 O\n0.484837 0.737418 0.121887 O\n0.259796 0.743125 0.620694 O\n0.119781 0.849201 0.015589 O\n0.008388 0.401980 0.795985 O\n0.991610 0.598020 0.204014 O\n0.880218 0.150798 0.984410 O\n0.740203 0.256874 0.379306 O\n0.515162 0.262581 0.878113 O\n",
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"formula_full": "Li8 P4 O14",
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{
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"created_at": "2022-09-04T14:37:43.389744Z",
"updated_at": "2022-09-04T14:37:43.389768Z",
"structure_string": "Li2 O4\n1.0\n2.887142 0.000000 0.000000\n0.000000 3.916424 0.000000\n0.000000 -0.000000 4.860793\nLi O\n2 4\ndirect\n0.500000 0.499999 0.500000 Li\n0.000000 0.000000 0.000000 Li\n0.500000 0.631940 0.088764 O\n0.500000 0.368059 0.911235 O\n0.000000 0.131940 0.411236 O\n0.000000 0.868059 0.588764 O\n",
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"elements": [
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"volume": 54.96230965708151,
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"formula_full": "Li2 O4",
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{
"id": "jvasp-70635",
"created_at": "2022-09-04T14:35:43.466901Z",
"updated_at": "2022-09-04T14:35:43.466917Z",
"structure_string": "Ca1 Be2 P1\n1.0\n-1.989722 1.989722 3.969696\n1.989722 -1.989722 3.969696\n1.989722 1.989722 -3.969696\nCa Be P\n1 2 1\ndirect\n0.500000 0.500000 0.000000 Ca\n0.000000 0.000000 0.000000 Be\n0.250000 0.750000 0.500000 Be\n0.750000 0.250000 0.500000 P\n",
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"elements": [
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"formula_full": "Ca1 Be2 P1",
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{
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"created_at": "2022-09-04T14:37:57.195820Z",
"updated_at": "2022-09-04T14:37:57.195838Z",
"structure_string": "Si8 O16\n1.0\n6.921195 0.000000 0.000000\n0.000000 6.921195 -0.000000\n0.000000 -0.000000 7.081395\nSi O\n8 16\ndirect\n0.206171 0.450483 0.949382 Si\n0.049518 0.293829 0.550617 Si\n0.950483 0.706172 0.550617 Si\n0.450483 0.793829 0.050617 Si\n0.793829 0.549518 0.949382 Si\n0.706172 0.049518 0.449383 Si\n0.293829 0.950483 0.449383 Si\n0.549518 0.206171 0.050617 Si\n0.662206 0.162206 0.250000 O\n0.818240 0.843443 0.415464 O\n0.181761 0.156558 0.415464 O\n0.500000 0.000000 0.550002 O\n0.843443 0.181761 0.584536 O\n0.000000 0.500000 0.449997 O\n0.318240 0.656558 0.915463 O\n0.000000 0.500000 0.050004 O\n0.500000 0.000000 0.949997 O\n0.162206 0.337795 0.749999 O\n0.337795 0.837795 0.250000 O\n0.656558 0.681761 0.084536 O\n0.343442 0.318240 0.084536 O\n0.156558 0.818240 0.584536 O\n0.681761 0.343442 0.915463 O\n0.837795 0.662206 0.749999 O\n",
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"elements": [
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"density": 2.3529846803168772,
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"volume": 339.2196414160351,
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"formula_full": "Si8 O16",
"formula_reduced": "SiO2",
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"spacegroup": 118
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{
"id": "jvasp-37203",
"created_at": "2022-09-04T14:38:07.334063Z",
"updated_at": "2022-09-04T14:38:07.334092Z",
"structure_string": "Mg3 P3\n1.0\n-4.586266 1.247521 -1.207418\n-1.212748 -4.595584 1.207418\n-0.614201 1.063827 4.741029\nMg P\n3 3\ndirect\n0.205809 0.166501 0.372707 Mg\n0.833171 0.539142 0.627293 Mg\n0.460864 0.794196 1.000000 Mg\n0.709809 0.290390 0.123417 P\n0.333296 0.666627 0.500001 P\n0.957055 0.043142 0.876583 P\n",
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"volume": 117.02912558809285,
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"formula_full": "Mg3 P3",
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{
"id": "jvasp-57748",
"created_at": "2022-09-04T14:38:30.027550Z",
"updated_at": "2022-09-04T14:38:30.027570Z",
"structure_string": "Al2 P2 O8\n1.0\n4.992968 -0.003724 -0.000000\n-0.006742 4.992964 0.000000\n0.000000 0.000000 6.904297\nAl P O\n2 2 8\ndirect\n0.188935 0.188935 0.250000 Al\n0.811066 0.811065 0.750000 Al\n0.313181 0.686819 0.000000 P\n0.686820 0.313181 0.500000 P\n0.267026 0.390128 0.048898 O\n0.732974 0.609872 0.548898 O\n0.390128 0.267026 0.451102 O\n0.609873 0.732974 0.951102 O\n0.234781 0.855122 0.177948 O\n0.765220 0.144878 0.677948 O\n0.855123 0.234781 0.322052 O\n0.144878 0.765219 0.822052 O\n",
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"formula_full": "Al2 P2 O8",
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{
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"created_at": "2022-09-04T14:36:42.394082Z",
"updated_at": "2022-09-04T14:36:42.394103Z",
"structure_string": "Na5 Ni1 S1 O2\n1.0\n4.559796 0.000000 0.000000\n-0.000000 4.559805 0.000000\n0.000000 0.000000 8.066949\nNa Ni S O\n5 1 1 2\ndirect\n0.000000 0.500001 0.255003 Na\n0.500000 0.000000 0.255099 Na\n0.000000 0.500001 0.744997 Na\n0.500000 0.000000 0.744901 Na\n0.000000 0.000000 0.500000 Na\n0.000000 0.000000 0.000000 Ni\n0.500000 0.500001 0.500000 S\n0.000000 0.000000 0.780120 O\n0.000000 0.000000 0.219880 O\n",
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{
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"created_at": "2022-09-04T14:37:56.870115Z",
"updated_at": "2022-09-04T14:37:56.870140Z",
"structure_string": "Na1 S1\n1.0\n3.294134 -0.510526 0.598282\n0.404154 3.308870 0.598282\n-0.674709 -0.510526 3.279334\nNa S\n1 1\ndirect\n0.000000 0.000000 0.000000 Na\n0.499999 0.499999 0.499999 S\n",
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{
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"structure_string": "Si4 O10\n1.0\n-3.008464 6.344778 2.516483\n3.008464 -6.344778 2.516483\n3.008464 6.344778 -2.516483\nSi O\n4 10\ndirect\n0.566606 0.052919 0.719018 Si\n0.333900 0.847586 0.280981 Si\n0.833901 0.052919 0.986313 Si\n0.066605 0.847586 0.013686 Si\n0.497559 0.997558 0.499999 O\n0.997558 0.997558 0.000000 O\n0.278585 0.828673 0.817065 O\n0.011607 0.461518 0.182934 O\n0.511607 0.828673 0.050088 O\n0.778586 0.461518 0.949911 O\n0.722806 0.918625 0.580793 O\n0.337834 0.142013 0.419206 O\n0.837833 0.918625 0.695820 O\n0.222806 0.142013 0.304180 O\n",
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{
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"structure_string": "K1 Mg6 Nb1\n1.0\n6.358791 -1.703660 0.000000\n-4.654808 8.062364 0.000000\n0.000000 0.000000 4.523015\nK Mg Nb\n1 6 1\ndirect\n0.249965 0.374982 0.250000 K\n0.750017 0.375046 0.250000 Mg\n0.750016 0.874970 0.250000 Mg\n0.250000 0.094245 0.749999 Mg\n0.250000 0.655756 0.749999 Mg\n0.688438 0.094219 0.749999 Mg\n0.811566 0.655783 0.749999 Mg\n0.249992 0.874996 0.250000 Nb\n",
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}
]
}