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{
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{
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{
"id": "mp-1517078",
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"structure_string": "Sr4 Eu4 Bi4 Sb4 O24\n1.0\n8.527892 0.000000 0.000000\n0.000000 8.528396 0.000000\n0.000000 0.000000 8.528423\nSr Eu Bi Sb O\n4 4 4 4 24\ndirect\n0.000000 0.500000 0.500000 Sr\n0.500000 -0.000000 0.500000 Sr\n0.500000 0.500000 -0.000000 Sr\n0.000000 0.500000 -0.000000 Sr\n0.500000 -0.000000 -0.000000 Eu\n0.000000 -0.000000 0.500000 Eu\n0.000000 -0.000000 -0.000000 Eu\n0.500000 0.500000 0.500000 Eu\n0.750050 0.750348 0.750091 Bi\n0.249950 0.249652 0.750091 Bi\n0.249950 0.750348 0.249909 Bi\n0.750050 0.249652 0.249909 Bi\n0.249649 0.249088 0.249942 Sb\n0.750351 0.750912 0.249942 Sb\n0.750351 0.249088 0.750058 Sb\n0.249649 0.750912 0.750058 Sb\n0.020534 0.199478 0.289664 O\n0.979466 0.800522 0.289664 O\n0.979466 0.199478 0.710336 O\n0.020534 0.800522 0.710336 O\n0.289742 0.020146 0.200234 O\n0.289742 0.979854 0.799766 O\n0.710258 0.979854 0.200234 O\n0.710258 0.020146 0.799766 O\n0.202437 0.286524 0.020583 O\n0.797563 0.286524 0.979417 O\n0.202437 0.713476 0.979417 O\n0.797563 0.713476 0.020583 O\n0.479951 0.295935 0.212759 O\n0.520049 0.704065 0.212759 O\n0.520049 0.295935 0.787241 O\n0.479951 0.704065 0.787241 O\n0.213399 0.479452 0.296646 O\n0.213399 0.520548 0.703354 O\n0.786601 0.520548 0.296646 O\n0.786601 0.479452 0.703354 O\n0.295809 0.211880 0.479702 O\n0.704191 0.211880 0.520298 O\n0.295809 0.788120 0.520298 O\n0.704191 0.788120 0.479702 O\n",
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"formula_full": "Sr4 Eu4 Bi4 Sb4 O24",
"formula_reduced": "SrEuBiSbO6",
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{
"id": "mp-863333",
"created_at": "2022-09-04T14:43:45.888420Z",
"structure_string": "Li3 Mn3 Fe1 O8\n1.0\n5.153060 -2.834588 0.000000\n5.153060 2.834588 0.000000\n3.593814 0.000000 4.655472\nLi Mn Fe O\n3 3 1 8\ndirect\n0.000000 0.500000 0.000000 Li\n0.500000 0.000000 0.000000 Li\n0.000000 0.000000 0.500000 Li\n0.500000 0.000000 0.500000 Mn\n0.000000 0.500000 0.500000 Mn\n0.500000 0.500000 0.000000 Mn\n0.000000 0.000000 0.000000 Fe\n0.258239 0.258239 0.258239 O\n0.762223 0.258973 0.762223 O\n0.258973 0.762223 0.762223 O\n0.741761 0.741761 0.741761 O\n0.762223 0.762223 0.258973 O\n0.237777 0.741027 0.237777 O\n0.741027 0.237777 0.237777 O\n0.237777 0.237777 0.741027 O\n",
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"density": 4.511158037454176,
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"volume": 136.00311580682185,
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"formula_full": "Li3 Mn3 Fe1 O8",
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{
"id": "mp-1246135",
"created_at": "2022-09-04T14:43:44.747427Z",
"structure_string": "Sr12 In8 N16\n1.0\n6.261545 0.000000 0.000000\n0.000000 11.129783 0.000000\n0.000000 0.000000 9.759989\nSr In N\n12 8 16\ndirect\n0.609202 0.155533 0.411333 Sr\n0.890798 0.844467 0.411333 Sr\n0.609202 0.344467 0.088667 Sr\n0.890798 0.655533 0.088667 Sr\n0.390798 0.844467 0.588667 Sr\n0.109202 0.155533 0.588667 Sr\n0.390798 0.655533 0.911333 Sr\n0.109202 0.344467 0.911333 Sr\n0.750000 0.500000 0.402608 Sr\n0.750000 0.000000 0.097392 Sr\n0.250000 0.500000 0.597392 Sr\n0.250000 0.000000 0.902608 Sr\n0.750000 0.500000 0.735480 In\n0.750000 0.000000 0.764520 In\n0.250000 0.500000 0.264520 In\n0.250000 0.000000 0.235480 In\n0.647818 0.250000 0.750000 In\n0.852182 0.750000 0.750000 In\n0.352182 0.750000 0.250000 In\n0.147818 0.250000 0.250000 In\n0.898233 0.353108 0.618995 N\n0.601767 0.646892 0.618995 N\n0.898233 0.146892 0.881005 N\n0.601767 0.853108 0.881005 N\n0.101767 0.646892 0.381005 N\n0.398233 0.353108 0.381005 N\n0.101767 0.853108 0.118995 N\n0.398233 0.146892 0.118995 N\n0.484066 0.406423 0.842165 N\n0.015934 0.593577 0.842165 N\n0.484066 0.093577 0.657835 N\n0.015934 0.906423 0.657835 N\n0.515934 0.593577 0.157835 N\n0.984066 0.406423 0.157835 N\n0.515934 0.906423 0.342165 N\n0.984066 0.093577 0.342165 N\n",
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],
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"density": 5.35656330531994,
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"volume": 680.1700914586054,
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"formula_full": "Sr12 In8 N16",
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{
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"structure_string": "Fe12 P4\n1.0\n-4.522662 4.522662 2.193820\n4.522662 -4.522662 2.193820\n4.522662 4.522662 -2.193820\nFe P\n12 4\ndirect\n0.041249 0.372507 0.393366 Fe\n0.627493 0.020859 0.668742 Fe\n0.352116 0.958751 0.331258 Fe\n0.979141 0.647884 0.606634 Fe\n0.462259 0.412311 0.390015 Fe\n0.587689 0.977704 0.049948 Fe\n0.927756 0.537741 0.950052 Fe\n0.022296 0.072244 0.609985 Fe\n0.659368 0.686630 0.815226 Fe\n0.313370 0.128596 0.972738 Fe\n0.155858 0.340632 0.027262 Fe\n0.871404 0.844142 0.184774 Fe\n0.461617 0.215409 0.663773 P\n0.784591 0.448364 0.246208 P\n0.202156 0.538383 0.753792 P\n0.551636 0.797844 0.336227 P\n",
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"density": 7.345807153458206,
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{
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"structure_string": "Sr4 C4 O12\n1.0\n5.163186 0.000000 0.000000\n0.000000 6.136911 0.000000\n0.000000 0.000000 8.511269\nSr C O\n4 4 12\ndirect\n0.250000 0.256126 0.416134 Sr\n0.750000 0.743874 0.583866 Sr\n0.250000 0.756126 0.083866 Sr\n0.750000 0.243874 0.916134 Sr\n0.250000 0.417183 0.758219 C\n0.750000 0.582817 0.241781 C\n0.250000 0.917183 0.741781 C\n0.750000 0.082817 0.258219 C\n0.031955 0.915984 0.818566 O\n0.531955 0.084016 0.181434 O\n0.468045 0.415984 0.681434 O\n0.968045 0.584016 0.318566 O\n0.750000 0.091444 0.410627 O\n0.250000 0.908556 0.589373 O\n0.750000 0.591444 0.089373 O\n0.250000 0.408556 0.910627 O\n0.968045 0.084016 0.181434 O\n0.468045 0.915984 0.818566 O\n0.531955 0.584016 0.318566 O\n0.031955 0.415984 0.681434 O\n",
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{
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{
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{
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"structure_string": "Na2 Mg1 C2 O6\n1.0\n5.725369 -2.499145 0.000000\n5.725369 2.499145 0.000000\n4.634482 0.000000 4.188932\nNa Mg C O\n2 1 2 6\ndirect\n0.201075 0.201075 0.201075 Na\n0.798925 0.798925 0.798925 Na\n0.000000 0.000000 0.000000 Mg\n0.590964 0.590964 0.590964 C\n0.409036 0.409036 0.409036 C\n0.699863 0.196650 0.334445 O\n0.334445 0.699863 0.196650 O\n0.196650 0.334445 0.699863 O\n0.300137 0.803350 0.665555 O\n0.803350 0.665555 0.300137 O\n0.665555 0.300137 0.803350 O\n",
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{
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"structure_string": "Mn1 Be2 Os1\n1.0\n-4.555929 4.777428 6.617121\n4.555929 -4.777428 6.617121\n4.555929 4.777428 -6.617121\nMn Be Os\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Mn\n0.000000 0.265715 0.265715 Be\n0.000000 0.734285 0.734285 Be\n0.000000 0.500000 0.500000 Os\n",
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"chemical_system": "Be-Mn-Os",
"density": 0.7586165118193939,
"density_atomic": 0.006943202406138344,
"volume": 576.1030380539794,
"volume_molar": 86.73433968561751,
"formula_full": "Mn1 Be2 Os1",
"formula_reduced": "MnBe2Os",
"formula_anonymous": "ABC2",
"energy": -15.03446412,
"energy_per_atom": -3.75861603,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.03446412,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 7.0000203,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:18.290000Z",
"spacegroup": 71
}
]
}