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"elements": [
"La",
"Ta",
"Cu",
"Br",
"O"
],
"chemical_system": "Br-Cu-La-O-Ta",
"density": 6.950944950482359,
"density_atomic": 0.06642205617063794,
"volume": 180.66288055238846,
"volume_molar": 9.066477473279582,
"formula_full": "La1 Ta2 Cu1 Br1 O7",
"formula_reduced": "LaTa2CuBrO7",
"formula_anonymous": "ABCD2E7",
"energy_above_hull": 2.997367704583333,
"spacegroup": 123
},
{
"id": "jvasp-116771",
"created_at": "2022-09-04T14:38:45.520195Z",
"updated_at": "2022-09-04T14:38:45.520222Z",
"structure_string": "La2 Mn2 Zn2 Fe2 O12\n1.0\n5.473068 0.000096 -0.000035\n0.000105 5.272940 -0.006828\n-0.000016 0.013985 7.536287\nLa Mn Zn Fe O\n2 2 2 2 12\ndirect\n0.005267 0.991840 0.250022 La\n0.494698 0.492165 0.750022 La\n0.500673 0.000578 0.499889 Mn\n0.999326 0.500503 -0.000109 Mn\n0.503620 0.529284 0.250268 Zn\n0.996382 0.029305 0.750277 Zn\n0.500992 0.000678 0.000433 Fe\n0.999003 0.500569 0.500425 Fe\n0.732278 0.735642 0.444203 O\n0.767680 0.235720 0.944184 O\n0.763259 0.228242 0.555413 O\n0.503004 0.927673 0.745253 O\n0.498102 0.139894 0.254982 O\n0.224048 0.226808 0.944377 O\n0.271168 0.719301 0.055131 O\n0.228865 0.219365 0.555144 O\n0.736758 0.728218 0.055410 O\n0.001901 0.639915 0.754987 O\n0.275916 0.726810 0.444441 O\n0.997052 0.427505 0.245252 O\n",
"nsites": 20,
"nelements": 5,
"elements": [
"La",
"Mn",
"Zn",
"Fe",
"O"
],
"chemical_system": "Fe-La-Mn-O-Zn",
"density": 6.27737387149051,
"density_atomic": 0.09195764688058199,
"volume": 217.49142870056684,
"volume_molar": 6.548819988641587,
"formula_full": "La2 Mn2 Zn2 Fe2 O12",
"formula_reduced": "LaMnZnFeO6",
"formula_anonymous": "ABCDE6",
"energy_above_hull": 2.474827914137931,
"spacegroup": 7
},
{
"id": "jvasp-99619",
"created_at": "2022-09-04T14:36:31.265080Z",
"updated_at": "2022-09-04T14:36:31.265108Z",
"structure_string": "La2 Mn1 Fe1 Se2 O3\n1.0\n4.075725 -0.000377 0.000129\n2.038142 8.999934 1.993034\n-0.000050 -0.000063 3.986068\nLa Mn Fe Se O\n2 1 1 2 3\ndirect\n0.680101 0.639749 0.680066 La\n0.319732 0.360274 0.319759 La\n0.000066 -0.000008 0.500063 Mn\n0.500055 -0.000005 0.000061 Fe\n0.091417 0.817248 0.091408 Se\n0.908641 0.182748 0.908651 Se\n0.500072 -0.000029 0.500068 O\n0.751575 0.496760 0.251589 O\n0.248335 0.503262 0.748334 O\n",
"nsites": 9,
"nelements": 5,
"elements": [
"La",
"Mn",
"Fe",
"Se",
"O"
],
"chemical_system": "Fe-La-Mn-O-Se",
"density": 6.751656503193058,
"density_atomic": 0.06155211647260707,
"volume": 146.21755539479017,
"volume_molar": 9.783807779672486,
"formula_full": "La2 Mn1 Fe1 Se2 O3",
"formula_reduced": "La2MnFeSe2O3",
"formula_anonymous": "ABC2D2E3",
"energy_above_hull": 2.590432219412516,
"spacegroup": 71
}
]
}