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{
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{
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{
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"structure_string": "Ba2 La2 Br10\n1.0\n4.496574 0.000000 0.000000\n0.000000 8.208502 0.000000\n0.000000 0.823620 14.251458\nBa La Br\n2 2 10\ndirect\n0.750000 0.545343 0.653886 Ba\n0.250000 0.454657 0.346114 Ba\n0.250000 0.955397 0.844073 La\n0.750000 0.044603 0.155927 La\n0.750000 0.956913 0.692746 Br\n0.250000 0.856195 0.062185 Br\n0.250000 0.700077 0.519252 Br\n0.750000 0.686520 0.882728 Br\n0.750000 0.699074 0.252455 Br\n0.250000 0.300926 0.747545 Br\n0.250000 0.313480 0.117272 Br\n0.750000 0.299923 0.480748 Br\n0.750000 0.143805 0.937815 Br\n0.250000 0.043087 0.307254 Br\n",
"nsites": 14,
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"elements": [
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"density": 4.266402099143089,
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"formula_full": "Ba2 La2 Br10",
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"spacegroup": 11
},
{
"id": "mp-1235226",
"created_at": "2022-09-04T14:46:31.424202Z",
"structure_string": "Li1 V1 Fe1 P4 O14\n1.0\n4.954098 -0.006385 0.114466\n-0.021882 8.095027 -0.035347\n-2.157884 -0.003952 6.692589\nLi V Fe P O\n1 1 1 4 14\ndirect\n0.691825 0.698009 0.931834 Li\n0.199979 0.494140 0.718514 V\n0.787311 0.012372 0.276626 Fe\n0.387572 0.188194 0.504928 P\n0.237849 0.767907 0.105796 P\n0.762445 0.276835 0.896914 P\n0.612774 0.689489 0.494525 P\n0.024674 0.329840 0.830919 O\n0.143416 0.657325 0.918625 O\n0.158977 0.057951 0.465937 O\n0.265056 0.364182 0.513130 O\n0.438759 0.675134 0.646063 O\n0.581217 0.431531 0.903776 O\n0.581207 0.153476 0.730238 O\n0.406571 0.641987 0.278592 O\n0.440415 0.902229 0.082379 O\n0.573505 0.187368 0.367654 O\n0.720808 0.863427 0.489001 O\n0.844515 0.557880 0.534769 O\n0.853402 0.178670 0.084436 O\n0.968332 0.821957 0.151121 O\n",
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"chemical_system": "Fe-Li-O-P-V",
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"formula_full": "Li1 V1 Fe1 P4 O14",
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{
"id": "mp-1025278",
"created_at": "2022-09-04T14:46:31.426303Z",
"structure_string": "V2 Cr1 Te4\n1.0\n1.973343 7.062700 0.000000\n-1.973343 7.062700 0.000000\n0.000000 3.047707 6.108995\nV Cr Te\n2 1 4\ndirect\n0.742719 0.742719 0.299655 V\n0.257281 0.257281 0.700345 V\n0.000000 0.000000 0.000000 Cr\n0.888848 0.888848 0.452334 Te\n0.111152 0.111152 0.547666 Te\n0.639679 0.639679 0.018714 Te\n0.360321 0.360321 0.981286 Te\n",
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"elements": [
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"density": 6.4777857827101295,
"density_atomic": 0.04110786635777307,
"volume": 170.28371015603375,
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"formula_full": "V2 Cr1 Te4",
"formula_reduced": "V2CrTe4",
"formula_anonymous": "AB2C4",
"energy": -43.95958515,
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"updated_at": "2021-11-28T01:37:42.151000Z",
"spacegroup": 12
},
{
"id": "mp-1187065",
"created_at": "2022-09-04T14:46:31.480149Z",
"structure_string": "Sn1 Ge1 O3\n1.0\n3.864235 0.000000 0.000000\n0.000000 3.864235 0.000000\n0.000000 0.000000 3.864235\nSn Ge O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Sn\n0.500000 0.500000 0.500000 Ge\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
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"updated_at": "2021-11-28T01:37:31.168000Z",
"spacegroup": 221
},
{
"id": "mp-757359",
"created_at": "2022-09-04T14:46:31.507001Z",
"structure_string": "Li2 Fe4 P4 O16\n1.0\n5.245504 0.000000 0.000000\n0.000000 8.537250 0.000000\n0.000000 2.828808 8.305463\nLi Fe P O\n2 4 4 16\ndirect\n0.824332 0.094371 0.032298 Li\n0.175668 0.594371 0.032298 Li\n0.806101 0.338462 0.266933 Fe\n0.316941 0.502453 0.742988 Fe\n0.193899 0.838462 0.266933 Fe\n0.683059 0.002453 0.742988 Fe\n0.311077 0.231516 0.125325 P\n0.813666 0.359264 0.638634 P\n0.688923 0.731516 0.125325 P\n0.186334 0.859264 0.638634 P\n0.183740 0.076260 0.103383 O\n0.348671 0.998241 0.668772 O\n0.601523 0.202534 0.155297 O\n0.185238 0.286394 0.257443 O\n0.784077 0.199549 0.791191 O\n0.725580 0.307850 0.496259 O\n0.094451 0.418118 0.620941 O\n0.816260 0.576260 0.103383 O\n0.272508 0.380956 0.964139 O\n0.651329 0.498241 0.668772 O\n0.398477 0.702534 0.155297 O\n0.814762 0.786394 0.257443 O\n0.215923 0.699549 0.791191 O\n0.274420 0.807850 0.496259 O\n0.905549 0.918118 0.620941 O\n0.727492 0.880956 0.964139 O\n",
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"density_atomic": 0.06990436232007965,
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"formula_full": "Li2 Fe4 P4 O16",
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"spacegroup": 7
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{
"id": "mp-865448",
"created_at": "2022-09-04T14:46:31.577857Z",
"structure_string": "Ti1 Ga1 Ru2\n1.0\n0.000000 3.055376 3.055376\n3.055376 0.000000 3.055376\n3.055376 3.055376 0.000000\nTi Ga Ru\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ti\n0.500000 0.500000 0.500000 Ga\n0.750000 0.750000 0.750000 Ru\n0.250000 0.250000 0.250000 Ru\n",
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"formula_full": "Ti1 Ga1 Ru2",
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{
"id": "mp-1038688",
"created_at": "2022-09-04T14:46:31.428428Z",
"structure_string": "Ba1 Sr1 Mg30 O32\n1.0\n8.689432 0.000000 0.000000\n0.000000 8.689432 0.000000\n0.000000 0.000000 8.887990\nBa Sr Mg O\n1 1 30 32\ndirect\n0.000000 0.000000 0.500000 Ba\n0.000000 0.000000 0.000000 Sr\n0.000000 0.500000 0.000000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.000000 0.000000 Mg\n0.500000 0.000000 0.500000 Mg\n0.500000 0.500000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.000000 0.261667 0.247349 Mg\n0.000000 0.261667 0.752651 Mg\n0.000000 0.738333 0.247349 Mg\n0.000000 0.738333 0.752651 Mg\n0.500000 0.252185 0.249735 Mg\n0.500000 0.252185 0.750265 Mg\n0.500000 0.747815 0.249735 Mg\n0.500000 0.747815 0.750265 Mg\n0.261667 0.000000 0.247349 Mg\n0.261667 0.000000 0.752651 Mg\n0.252185 0.500000 0.249735 Mg\n0.252185 0.500000 0.750265 Mg\n0.738333 0.000000 0.247349 Mg\n0.738333 0.000000 0.752651 Mg\n0.747815 0.500000 0.249735 Mg\n0.747815 0.500000 0.750265 Mg\n0.256352 0.256352 0.000000 Mg\n0.258132 0.258132 0.500000 Mg\n0.256352 0.743648 0.000000 Mg\n0.258132 0.741868 0.500000 Mg\n0.743648 0.256352 0.000000 Mg\n0.741868 0.258132 0.500000 Mg\n0.743648 0.743648 0.000000 Mg\n0.741868 0.741868 0.500000 Mg\n0.272208 0.000000 0.000000 O\n0.280248 0.000000 0.500000 O\n0.255426 0.500000 0.000000 O\n0.256888 0.500000 0.500000 O\n0.727792 0.000000 0.000000 O\n0.719752 0.000000 0.500000 O\n0.744574 0.500000 0.000000 O\n0.743112 0.500000 0.500000 O\n0.250391 0.250391 0.250147 O\n0.250391 0.250391 0.749853 O\n0.250391 0.749609 0.250147 O\n0.250391 0.749609 0.749853 O\n0.749609 0.250391 0.250147 O\n0.749609 0.250391 0.749853 O\n0.749609 0.749609 0.250147 O\n0.749609 0.749609 0.749853 O\n0.000000 0.000000 0.242082 O\n0.000000 0.000000 0.757918 O\n0.000000 0.500000 0.247428 O\n0.000000 0.500000 0.752572 O\n0.500000 0.000000 0.247428 O\n0.500000 0.000000 0.752572 O\n0.500000 0.500000 0.249231 O\n0.500000 0.500000 0.750769 O\n0.000000 0.272208 0.000000 O\n0.000000 0.280248 0.500000 O\n0.000000 0.727792 0.000000 O\n0.000000 0.719752 0.500000 O\n0.500000 0.255426 0.000000 O\n0.500000 0.256888 0.500000 O\n0.500000 0.744574 0.000000 O\n0.500000 0.743112 0.500000 O\n",
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"volume": 671.0986036912773,
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"formula_full": "Ba1 Sr1 Mg30 O32",
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"energy": -396.42096851,
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{
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},
{
"id": "mp-1212767",
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{
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]
}