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{
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"structure_string": "Eu4 Zn51\n1.0\n-6.085730 -6.085730 0.000000\n0.000000 6.085730 -6.085730\n6.022537 -6.022537 -12.108266\nEu Zn\n4 51\ndirect\n0.874930 0.749860 0.375210 Eu\n0.374568 0.749136 0.876296 Eu\n0.625070 0.250140 0.124790 Eu\n0.125432 0.250864 0.623704 Eu\n0.338429 0.442087 0.102726 Zn\n0.842574 0.441512 0.598716 Zn\n0.161571 0.557913 0.397274 Zn\n0.657426 0.558488 0.901284 Zn\n0.984541 0.204728 0.221600 Zn\n0.478610 0.197431 0.720876 Zn\n0.515459 0.795273 0.278400 Zn\n0.021390 0.802569 0.779124 Zn\n0.710519 0.060016 0.349141 Zn\n0.209545 0.059209 0.849786 Zn\n0.789481 0.939984 0.150859 Zn\n0.290455 0.940791 0.650214 Zn\n0.668400 0.699230 0.029431 Zn\n0.169186 0.699595 0.529204 Zn\n0.831600 0.300770 0.470569 Zn\n0.330814 0.300405 0.970796 Zn\n0.044812 0.206383 0.397274 Zn\n0.540228 0.197654 0.901284 Zn\n0.455188 0.793617 0.102726 Zn\n0.959772 0.802346 0.598716 Zn\n0.926328 0.441787 0.278400 Zn\n0.418307 0.439697 0.779124 Zn\n0.573672 0.558213 0.221600 Zn\n0.081693 0.560303 0.720876 Zn\n0.909157 0.698638 0.150859 Zn\n0.408995 0.699450 0.650214 Zn\n0.590843 0.301362 0.349141 Zn\n0.091005 0.300550 0.849786 Zn\n0.228661 0.060261 0.470569 Zn\n0.728800 0.059614 0.970796 Zn\n0.271339 0.939739 0.029431 Zn\n0.771200 0.940386 0.529204 Zn\n0.220186 0.793859 0.221600 Zn\n0.718821 0.800514 0.720876 Zn\n0.279814 0.206141 0.278400 Zn\n0.781179 0.199486 0.779124 Zn\n0.103658 0.558845 0.102726 Zn\n0.598937 0.558710 0.598716 Zn\n0.396342 0.441155 0.397274 Zn\n0.901063 0.441290 0.901284 Zn\n0.030830 0.302169 0.029431 Zn\n0.530410 0.301610 0.529204 Zn\n0.469170 0.697831 0.470569 Zn\n0.969590 0.698390 0.970796 Zn\n0.349497 0.940340 0.349141 Zn\n0.849664 0.940669 0.849786 Zn\n0.150503 0.059660 0.150859 Zn\n0.650336 0.059331 0.650214 Zn\n0.750000 0.500000 0.750000 Zn\n0.000012 0.000023 0.999965 Zn\n0.499988 0.999977 0.500035 Zn\n",
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"created_at": "2022-09-04T14:40:40.195013Z",
"structure_string": "Zr24 Te12\n1.0\n3.855839 0.000000 0.000000\n0.000000 10.770496 0.000000\n0.000000 0.000000 20.114778\nZr Te\n24 12\ndirect\n0.250000 0.609338 0.984647 Zr\n0.750000 0.390662 0.015353 Zr\n0.750000 0.109338 0.515353 Zr\n0.250000 0.890662 0.484647 Zr\n0.250000 0.077795 0.645668 Zr\n0.750000 0.922205 0.354332 Zr\n0.750000 0.577795 0.854332 Zr\n0.250000 0.422205 0.145668 Zr\n0.250000 0.388255 0.533029 Zr\n0.750000 0.611745 0.466971 Zr\n0.750000 0.888255 0.966971 Zr\n0.250000 0.111745 0.033029 Zr\n0.250000 0.146662 0.395866 Zr\n0.750000 0.853338 0.604134 Zr\n0.750000 0.646662 0.104134 Zr\n0.250000 0.353338 0.895866 Zr\n0.250000 0.457621 0.341365 Zr\n0.750000 0.542379 0.658635 Zr\n0.750000 0.957621 0.158635 Zr\n0.250000 0.042379 0.841365 Zr\n0.250000 0.752387 0.224314 Zr\n0.750000 0.247613 0.775686 Zr\n0.750000 0.252387 0.275686 Zr\n0.250000 0.747613 0.724314 Zr\n0.250000 0.461942 0.760215 Te\n0.750000 0.538058 0.239785 Te\n0.750000 0.961942 0.739785 Te\n0.250000 0.038058 0.260215 Te\n0.250000 0.780746 0.869164 Te\n0.750000 0.219254 0.130836 Te\n0.750000 0.280746 0.630836 Te\n0.250000 0.719254 0.369164 Te\n0.250000 0.661263 0.572776 Te\n0.750000 0.338737 0.427224 Te\n0.750000 0.161263 0.927224 Te\n0.250000 0.838737 0.072776 Te\n",
"nsites": 36,
"nelements": 2,
"elements": [
"Zr",
"Te"
],
"chemical_system": "Te-Zr",
"density": 7.395872889789176,
"density_atomic": 0.04309557320231394,
"volume": 835.3526203491137,
"volume_molar": 13.973919622158899,
"formula_full": "Zr24 Te12",
"formula_reduced": "Zr2Te",
"formula_anonymous": "AB2",
"energy": -271.14770382,
"energy_per_atom": -7.5318806616666665,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -266.08370382,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001083,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:05.444000Z",
"spacegroup": 62
},
{
"id": "mp-12524",
"created_at": "2022-09-04T14:40:26.734467Z",
"structure_string": "Al6 W3\n1.0\n2.436434 -4.220028 0.000000\n2.436434 4.220028 0.000000\n0.000000 0.000000 6.786791\nAl W\n6 3\ndirect\n0.168545 0.831455 0.166667 Al\n0.337089 0.168545 0.833333 Al\n0.831455 0.662911 0.500000 Al\n0.831455 0.168545 0.166667 Al\n0.662911 0.831455 0.833333 Al\n0.168545 0.337089 0.500000 Al\n0.500000 0.000000 0.500000 W\n0.000000 0.500000 0.833333 W\n0.500000 0.500000 0.166667 W\n",
"nsites": 9,
"nelements": 2,
"elements": [
"Al",
"W"
],
"chemical_system": "Al-W",
"density": 8.488351739360981,
"density_atomic": 0.06448787326182838,
"volume": 139.5611228092286,
"volume_molar": 9.338408068675792,
"formula_full": "Al6 W3",
"formula_reduced": "Al2W",
"formula_anonymous": "AB2",
"energy": -61.66731566,
"energy_per_atom": -6.851923962222222,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -61.66731566,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0020348,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:46.122000Z",
"spacegroup": 181
}
]
}