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{
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{
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{
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{
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{
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{
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"created_at": "2022-09-04T14:46:09.257231Z",
"structure_string": "Ti1 V1 Ru2\n1.0\n-4.286396 5.225442 7.396557\n4.286396 -5.225442 7.396557\n4.286396 5.225442 -7.396557\nTi V Ru\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ti\n0.000000 0.500000 0.500000 V\n0.000000 0.252731 0.252731 Ru\n0.000000 0.747269 0.747269 Ru\n",
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{
"id": "mp-1518490",
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"structure_string": "K1 Sr1 Mn1 Bi1 O6\n1.0\n-0.000000 -4.091697 -4.091697\n4.091697 -0.000000 -4.091697\n4.091697 -4.091697 0.000000\nK Sr Mn Bi O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.750000 Sr\n0.500000 0.500000 0.500000 Mn\n-0.000000 -0.000000 -0.000000 Bi\n0.739313 0.260687 0.260687 O\n0.260687 0.739313 0.739313 O\n0.739313 0.260687 0.739313 O\n0.260687 0.739313 0.260687 O\n0.739313 0.739313 0.260687 O\n0.260687 0.260687 0.739313 O\n",
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"formula_full": "K1 Sr1 Mn1 Bi1 O6",
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{
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{
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{
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{
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{
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"created_at": "2022-09-04T14:46:10.021021Z",
"structure_string": "Li8 Mn2 V2 P6 O24\n1.0\n8.415449 0.000000 0.000000\n-4.141997 7.350062 0.000000\n-0.060616 -4.835775 7.944744\nLi Mn V P O\n8 2 2 6 24\ndirect\n0.735506 0.532756 0.135388 Li\n0.056517 0.169392 0.097379 Li\n0.341444 0.780870 0.147061 Li\n0.201667 0.849977 0.409372 Li\n0.798333 0.150023 0.590628 Li\n0.658556 0.219130 0.852939 Li\n0.943483 0.830608 0.902621 Li\n0.264494 0.467244 0.864612 Li\n0.849941 0.589206 0.561778 Mn\n0.150059 0.410794 0.438222 Mn\n0.351657 0.621492 0.034900 V\n0.648343 0.378508 0.965100 V\n0.050626 0.293172 0.245910 P\n0.453024 0.013877 0.246365 P\n0.745421 0.715227 0.238069 P\n0.254579 0.284773 0.761931 P\n0.546976 0.986123 0.753635 P\n0.949374 0.706828 0.754090 P\n0.849507 0.424010 0.106909 O\n0.496764 0.301946 0.178847 O\n0.167777 0.314298 0.182972 O\n0.445738 0.104708 0.100751 O\n0.790263 0.056154 0.100771 O\n0.248950 0.890421 0.267720 O\n0.032706 0.971662 0.412071 O\n0.602222 0.802753 0.407120 O\n0.527656 0.659562 0.176870 O\n0.866262 0.614477 0.244692 O\n0.791844 0.563746 0.408636 O\n0.147850 0.490785 0.254194 O\n0.852150 0.509215 0.745806 O\n0.208156 0.436254 0.591364 O\n0.133738 0.385523 0.755308 O\n0.472344 0.340438 0.823130 O\n0.397778 0.197247 0.592880 O\n0.967294 0.028338 0.587929 O\n0.751050 0.109579 0.732280 O\n0.209737 0.943846 0.899229 O\n0.554262 0.895292 0.899249 O\n0.832223 0.685702 0.817028 O\n0.503236 0.698054 0.821153 O\n0.150493 0.575990 0.893091 O\n",
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"chemical_system": "Li-Mn-O-P-V",
"density": 2.8286952083893646,
"density_atomic": 0.08546751715460854,
"volume": 491.41476666536454,
"volume_molar": 7.046116420003288,
"formula_full": "Li8 Mn2 V2 P6 O24",
"formula_reduced": "Li4MnV(PO4)3",
"formula_anonymous": "ABC3D4E12",
"energy": -66.83710896,
"energy_per_atom": -1.591359737142857,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -56.23710896,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 10.0028681,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:26.378000Z",
"spacegroup": 2
}
]
}