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{
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{
"id": "mp-1179149",
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{
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"density": 5.100945302114906,
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"formula_full": "La2 Fe24 O38",
"formula_reduced": "LaFe12O19",
"formula_anonymous": "AB12C19",
"energy": -515.34833232,
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"spacegroup": 63
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{
"id": "mp-1220296",
"created_at": "2022-09-04T14:41:09.422715Z",
"structure_string": "Nd2 Er2 Fe34\n1.0\n4.261041 -7.380340 0.000000\n4.261041 7.380340 0.000000\n0.000000 0.000000 8.273156\nNd Er Fe\n2 2 34\ndirect\n0.333333 0.666667 0.750000 Nd\n0.666667 0.333333 0.250000 Nd\n0.000000 0.000000 0.250000 Er\n0.000000 0.000000 0.750000 Er\n0.327662 0.369373 0.250000 Fe\n0.630627 0.958290 0.250000 Fe\n0.041710 0.672338 0.250000 Fe\n0.630627 0.672338 0.250000 Fe\n0.041710 0.369373 0.250000 Fe\n0.327662 0.958290 0.250000 Fe\n0.672338 0.630627 0.750000 Fe\n0.369373 0.041710 0.750000 Fe\n0.958290 0.327662 0.750000 Fe\n0.369373 0.327662 0.750000 Fe\n0.958290 0.630627 0.750000 Fe\n0.672338 0.041710 0.750000 Fe\n0.164772 0.835228 0.514835 Fe\n0.164772 0.329544 0.514835 Fe\n0.670456 0.835228 0.514835 Fe\n0.835228 0.164772 0.485165 Fe\n0.835228 0.670456 0.485165 Fe\n0.329544 0.164772 0.485165 Fe\n0.835228 0.164772 0.014835 Fe\n0.835228 0.670456 0.014835 Fe\n0.329544 0.164772 0.014835 Fe\n0.164772 0.835228 0.985165 Fe\n0.164772 0.329544 0.985165 Fe\n0.670456 0.835228 0.985165 Fe\n0.333333 0.666667 0.392729 Fe\n0.666667 0.333333 0.607271 Fe\n0.666667 0.333333 0.892729 Fe\n0.333333 0.666667 0.107271 Fe\n0.500000 0.500000 0.500000 Fe\n0.500000 0.000000 0.500000 Fe\n0.000000 0.500000 0.500000 Fe\n0.500000 0.500000 0.000000 Fe\n0.500000 0.000000 0.000000 Fe\n0.000000 0.500000 0.000000 Fe\n",
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"volume": 520.3472836059474,
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"formula_full": "Nd2 Er2 Fe34",
"formula_reduced": "NdErFe17",
"formula_anonymous": "ABC17",
"energy": -305.98867008,
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"updated_at": "2021-11-28T01:35:22.583000Z",
"spacegroup": 194
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{
"id": "mp-20958",
"created_at": "2022-09-04T14:40:00.379276Z",
"structure_string": "Ba2 La1 Re1 O6\n1.0\n0.000000 4.344859 4.344859\n4.344859 0.000000 4.344859\n4.344859 4.344859 0.000000\nBa La Re O\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Ba\n0.250000 0.250000 0.250000 Ba\n0.500000 0.500000 0.500000 La\n0.000000 0.000000 0.000000 Re\n0.771621 0.771621 0.228379 O\n0.771621 0.228379 0.771621 O\n0.228379 0.771621 0.228379 O\n0.771621 0.228379 0.228379 O\n0.228379 0.228379 0.771621 O\n0.228379 0.771621 0.771621 O\n",
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"formula_full": "Ba2 La1 Re1 O6",
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"formula_anonymous": "ABC2D6",
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"spacegroup": 225
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{
"id": "mp-1214020",
"created_at": "2022-09-04T14:39:23.237155Z",
"structure_string": "Ca4 Y1 B3 O10\n1.0\n8.057573 4.069295 0.000000\n-8.057573 4.069295 0.000000\n0.000000 0.693602 3.496573\nCa Y B O\n4 1 3 10\ndirect\n0.326493 0.551819 0.277472 Ca\n0.551819 0.326493 0.277472 Ca\n0.879029 0.242916 0.948872 Ca\n0.242916 0.879029 0.948872 Ca\n0.798891 0.798891 0.605439 Y\n0.171476 0.171476 0.904710 B\n0.941628 0.553197 0.523436 B\n0.553197 0.941628 0.523436 B\n0.026239 0.741966 0.526044 O\n0.741966 0.026239 0.526044 O\n0.628037 0.628037 0.184429 O\n0.183676 0.332731 0.856879 O\n0.332731 0.183676 0.856879 O\n0.997431 0.997431 0.999620 O\n0.034675 0.496736 0.329000 O\n0.496736 0.034675 0.329000 O\n0.761540 0.418020 0.720748 O\n0.418020 0.761540 0.720748 O\n",
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{
"id": "mp-779299",
"created_at": "2022-09-04T14:42:05.729650Z",
"structure_string": "Li6 Mn8 B8 O24\n1.0\n9.092302 0.000000 0.000000\n0.000000 5.288470 0.000000\n0.000000 5.136826 10.368561\nLi Mn B O\n6 8 8 24\ndirect\n0.231029 0.513790 0.341955 Li\n0.263853 0.015238 0.819364 Li\n0.740723 0.566742 0.089781 Li\n0.768971 0.513790 0.841955 Li\n0.736147 0.015238 0.319364 Li\n0.259277 0.566742 0.589781 Li\n0.888322 0.460084 0.378877 Mn\n0.580291 0.982353 0.864581 Mn\n0.398664 0.559139 0.115038 Mn\n0.062673 0.023196 0.621208 Mn\n0.419709 0.982353 0.364581 Mn\n0.111678 0.460084 0.878877 Mn\n0.601336 0.559139 0.615038 Mn\n0.937327 0.023196 0.121208 Mn\n0.571681 0.464320 0.369095 B\n0.924831 0.947656 0.878291 B\n0.061454 0.534582 0.134066 B\n0.414119 0.048965 0.619855 B\n0.075169 0.947656 0.378291 B\n0.428319 0.464320 0.869095 B\n0.585881 0.048965 0.119855 B\n0.938546 0.534582 0.634066 B\n0.943669 0.364174 0.571292 O\n0.574727 0.842196 0.075920 O\n0.188088 0.629639 0.159824 O\n0.535969 0.139713 0.662891 O\n0.924945 0.611595 0.168411 O\n0.277179 0.159521 0.626241 O\n0.432124 0.408478 0.337583 O\n0.048605 0.899131 0.816100 O\n0.795828 0.809399 0.892702 O\n0.689610 0.309178 0.363596 O\n0.405737 0.683927 0.904729 O\n0.055160 0.144325 0.428276 O\n0.056331 0.364174 0.071292 O\n0.425273 0.842196 0.575920 O\n0.464031 0.139713 0.162891 O\n0.722821 0.159521 0.126241 O\n0.811912 0.629639 0.659824 O\n0.075055 0.611595 0.668411 O\n0.567876 0.408478 0.837583 O\n0.951395 0.899131 0.316100 O\n0.204172 0.809399 0.392702 O\n0.310390 0.309178 0.863596 O\n0.594263 0.683927 0.404729 O\n0.944840 0.144325 0.928276 O\n",
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{
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{
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