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{
"count": 146323,
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{
"id": "mp-757545",
"created_at": "2022-09-04T14:45:27.157502Z",
"structure_string": "Mn12 Cr18 O40\n1.0\n24.937508 -3.041250 0.000000\n24.937508 3.041250 0.000000\n24.566612 0.000000 5.254525\nMn Cr O\n12 18 40\ndirect\n0.224914 0.224914 0.224914 Mn\n0.900000 0.900000 0.900000 Mn\n0.175022 0.175022 0.175022 Mn\n0.824978 0.824978 0.824978 Mn\n0.775086 0.775086 0.775086 Mn\n0.424914 0.424914 0.424914 Mn\n0.100000 0.100000 0.100000 Mn\n0.375006 0.375006 0.375006 Mn\n0.025002 0.025002 0.025002 Mn\n0.974998 0.974998 0.974998 Mn\n0.624994 0.624994 0.624994 Mn\n0.575086 0.575086 0.575086 Mn\n0.200300 0.699725 0.699725 Cr\n0.699725 0.699725 0.200300 Cr\n0.699725 0.200300 0.699725 Cr\n0.799700 0.300275 0.300275 Cr\n0.500000 0.500000 0.500000 Cr\n0.300275 0.799700 0.300275 Cr\n0.300275 0.300275 0.799700 Cr\n0.400330 0.899709 0.899709 Cr\n0.699973 0.699973 0.699973 Cr\n0.899709 0.400330 0.899709 Cr\n0.500000 0.000000 0.500000 Cr\n0.500000 0.500000 0.000000 Cr\n0.899709 0.899709 0.400330 Cr\n0.000000 0.500000 0.500000 Cr\n0.300027 0.300027 0.300027 Cr\n0.100291 0.100291 0.599670 Cr\n0.100291 0.599670 0.100291 Cr\n0.599670 0.100291 0.100291 Cr\n0.032942 0.580268 0.032942 O\n0.032942 0.032942 0.580268 O\n0.580268 0.032942 0.032942 O\n0.852689 0.852689 0.852689 O\n0.547319 0.547319 0.547319 O\n0.814326 0.369145 0.369145 O\n0.967058 0.419732 0.967058 O\n0.369145 0.369145 0.814326 O\n0.369145 0.814326 0.369145 O\n0.967058 0.967058 0.419732 O\n0.630855 0.185674 0.630855 O\n0.630855 0.630855 0.185674 O\n0.185674 0.630855 0.630855 O\n0.452681 0.452681 0.452681 O\n0.780269 0.232941 0.232941 O\n0.747320 0.747320 0.747320 O\n0.147311 0.147311 0.147311 O\n0.419732 0.967058 0.967058 O\n0.569171 0.014253 0.569171 O\n0.569171 0.569171 0.014253 O\n0.232941 0.232941 0.780269 O\n0.232941 0.780269 0.232941 O\n0.052696 0.052696 0.052696 O\n0.652714 0.652714 0.652714 O\n0.385295 0.830979 0.830979 O\n0.347286 0.347286 0.347286 O\n0.614705 0.169021 0.169021 O\n0.014253 0.569171 0.569171 O\n0.169021 0.614705 0.169021 O\n0.169021 0.169021 0.614705 O\n0.830979 0.830979 0.385295 O\n0.430829 0.430829 0.985747 O\n0.830979 0.385295 0.830979 O\n0.430829 0.985747 0.430829 O\n0.252680 0.252680 0.252680 O\n0.985747 0.430829 0.430829 O\n0.947304 0.947304 0.947304 O\n0.219731 0.767059 0.767059 O\n0.767059 0.219731 0.767059 O\n0.767059 0.767059 0.219731 O\n",
"nsites": 70,
"nelements": 3,
"elements": [
"Mn",
"Cr",
"O"
],
"chemical_system": "Cr-Mn-O",
"density": 4.656820909463901,
"density_atomic": 0.08782727483864089,
"volume": 797.0189229781553,
"volume_molar": 6.856800203654357,
"formula_full": "Mn12 Cr18 O40",
"formula_reduced": "Mn6Cr9O20",
"formula_anonymous": "A6B9C20",
"energy": -642.3915850000001,
"energy_per_atom": -9.177022642857144,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -558.913585,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 111.9999799,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:57.578000Z",
"spacegroup": 166
},
{
"id": "mp-757544",
"created_at": "2022-09-04T14:47:00.640137Z",
"structure_string": "Li4 Fe4 Si4 O16\n1.0\n5.073331 0.000000 0.000000\n0.000000 6.067317 0.000000\n0.000000 0.000000 11.391181\nLi Fe Si O\n4 4 4 16\ndirect\n0.745018 0.750774 0.081002 Li\n0.245018 0.250774 0.418998 Li\n0.745018 0.749226 0.581002 Li\n0.245018 0.249226 0.918998 Li\n0.246785 0.012418 0.173931 Fe\n0.746785 0.512418 0.326069 Fe\n0.246785 0.487582 0.673931 Fe\n0.746785 0.987582 0.826069 Fe\n0.248613 0.509040 0.165513 Si\n0.748613 0.009040 0.334487 Si\n0.248613 0.990960 0.665513 Si\n0.748613 0.490960 0.834487 Si\n0.182598 0.282691 0.089997 O\n0.137046 0.738324 0.104450 O\n0.569758 0.528837 0.180539 O\n0.616032 0.988872 0.201900 O\n0.116032 0.488872 0.298100 O\n0.069758 0.028837 0.319461 O\n0.637046 0.238324 0.395550 O\n0.682598 0.782691 0.410003 O\n0.182598 0.217309 0.589997 O\n0.137046 0.761676 0.604450 O\n0.569758 0.971163 0.680539 O\n0.616032 0.511128 0.701900 O\n0.116032 0.011128 0.798100 O\n0.069758 0.471163 0.819461 O\n0.637046 0.261676 0.895550 O\n0.682598 0.717309 0.910003 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Fe",
"Si",
"O"
],
"chemical_system": "Fe-Li-O-Si",
"density": 2.933696795885971,
"density_atomic": 0.07985449996586913,
"volume": 350.637722507405,
"volume_molar": 7.54139185966219,
"formula_full": "Li4 Fe4 Si4 O16",
"formula_reduced": "LiFeSiO4",
"formula_anonymous": "ABCD4",
"energy": -211.55532922,
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"updated_at": "2021-11-28T01:37:55.030000Z",
"spacegroup": 33
},
{
"id": "mp-757542",
"created_at": "2022-09-04T14:40:56.004378Z",
"structure_string": "Li12 Ti4 Si24 O60\n1.0\n7.939475 0.000000 0.000000\n0.000000 9.888092 0.000000\n0.000000 0.000000 15.017513\nLi Ti Si O\n12 4 24 60\ndirect\n0.750000 0.080042 0.934710 Li\n0.750000 0.419957 0.434710 Li\n0.001284 0.502041 0.758186 Li\n0.498716 0.502041 0.758186 Li\n0.998716 0.497959 0.241814 Li\n0.501284 0.497959 0.241814 Li\n0.250000 0.580043 0.565290 Li\n0.250000 0.919957 0.065290 Li\n0.998716 0.002041 0.741814 Li\n0.501284 0.002041 0.741814 Li\n0.498716 0.997959 0.258186 Li\n0.001284 0.997959 0.258186 Li\n0.750000 0.254460 0.748552 Ti\n0.750000 0.245540 0.248552 Ti\n0.250000 0.745540 0.251448 Ti\n0.250000 0.754460 0.751448 Ti\n0.250000 0.030877 0.597368 Si\n0.250000 0.028403 0.401738 Si\n0.439280 0.204365 0.900740 Si\n0.060720 0.204365 0.900740 Si\n0.058246 0.202065 0.098799 Si\n0.441754 0.202065 0.098799 Si\n0.058246 0.297935 0.598799 Si\n0.439280 0.295635 0.400740 Si\n0.441754 0.297935 0.598799 Si\n0.060720 0.295635 0.400740 Si\n0.250000 0.471597 0.901738 Si\n0.250000 0.469123 0.097368 Si\n0.750000 0.528403 0.098262 Si\n0.750000 0.530877 0.902632 Si\n0.560720 0.704365 0.599260 Si\n0.939280 0.704365 0.599260 Si\n0.941754 0.702065 0.401201 Si\n0.558246 0.702065 0.401201 Si\n0.941754 0.797935 0.901201 Si\n0.560720 0.795635 0.099260 Si\n0.939280 0.795635 0.099260 Si\n0.558246 0.797935 0.901201 Si\n0.750000 0.969123 0.402632 Si\n0.750000 0.971597 0.598262 Si\n0.750000 0.043392 0.499983 O\n0.750000 0.071927 0.681519 O\n0.750000 0.066213 0.317725 O\n0.413790 0.133944 0.602875 O\n0.086210 0.133944 0.602875 O\n0.414745 0.131147 0.394695 O\n0.085255 0.131147 0.394695 O\n0.250000 0.135372 0.894031 O\n0.250000 0.128981 0.098829 O\n0.927852 0.149425 0.828882 O\n0.572148 0.149425 0.828882 O\n0.943119 0.153637 0.179974 O\n0.556881 0.153637 0.179974 O\n0.521939 0.162706 0.999577 O\n0.978061 0.162706 0.999577 O\n0.521939 0.337294 0.499577 O\n0.978061 0.337294 0.499577 O\n0.927852 0.350575 0.328882 O\n0.943119 0.346363 0.679974 O\n0.556881 0.346363 0.679974 O\n0.572148 0.350575 0.328882 O\n0.250000 0.371019 0.598829 O\n0.250000 0.364628 0.394031 O\n0.085255 0.368853 0.894695 O\n0.414745 0.368853 0.894695 O\n0.086210 0.366056 0.102875 O\n0.413790 0.366056 0.102875 O\n0.750000 0.433787 0.817725 O\n0.750000 0.428073 0.181519 O\n0.750000 0.456608 0.999983 O\n0.250000 0.543392 0.000017 O\n0.250000 0.571927 0.818481 O\n0.250000 0.566213 0.182275 O\n0.914745 0.631147 0.105305 O\n0.585255 0.631147 0.105305 O\n0.913790 0.633944 0.897125 O\n0.586210 0.633944 0.897125 O\n0.750000 0.628981 0.401171 O\n0.750000 0.635372 0.605969 O\n0.443119 0.653637 0.320026 O\n0.056881 0.653637 0.320026 O\n0.427852 0.649425 0.671118 O\n0.072148 0.649425 0.671118 O\n0.021939 0.662706 0.500423 O\n0.478061 0.662706 0.500423 O\n0.021939 0.837294 0.000423 O\n0.478061 0.837294 0.000423 O\n0.443119 0.846363 0.820026 O\n0.056881 0.846363 0.820026 O\n0.427852 0.850575 0.171118 O\n0.072148 0.850575 0.171118 O\n0.750000 0.871019 0.901171 O\n0.750000 0.864628 0.105969 O\n0.586210 0.866056 0.397125 O\n0.914745 0.868853 0.605305 O\n0.585255 0.868853 0.605305 O\n0.913790 0.866056 0.397125 O\n0.250000 0.933787 0.682275 O\n0.250000 0.928073 0.318481 O\n0.250000 0.956608 0.500017 O\n",
"nsites": 100,
"nelements": 4,
"elements": [
"Li",
"Ti",
"Si",
"O"
],
"chemical_system": "Li-O-Si-Ti",
"density": 2.6884487543889617,
"density_atomic": 0.08481988892657907,
"volume": 1178.9687685934248,
"volume_molar": 7.099915876113471,
"formula_full": "Li12 Ti4 Si24 O60",
"formula_reduced": "Li3Ti(Si2O5)3",
"formula_anonymous": "AB3C6D15",
"energy": -789.72442794,
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"updated_at": "2021-11-28T01:35:00.161000Z",
"spacegroup": 62
},
{
"id": "mp-757541",
"created_at": "2022-09-04T14:42:25.665758Z",
"structure_string": "Li12 Si12 Bi12 O48\n1.0\n5.966679 0.000000 0.000000\n0.000000 8.948948 0.000000\n0.000000 0.000000 21.120764\nLi Si Bi O\n12 12 12 48\ndirect\n0.918475 0.239002 0.994621 Li\n0.418475 0.760998 0.005379 Li\n0.608620 0.745169 0.169907 Li\n0.929863 0.258610 0.162129 Li\n0.429863 0.758610 0.337871 Li\n0.108620 0.245169 0.330093 Li\n0.918475 0.260998 0.494621 Li\n0.418475 0.739002 0.505379 Li\n0.608620 0.754831 0.669907 Li\n0.929863 0.241390 0.662129 Li\n0.429863 0.741390 0.837871 Li\n0.108620 0.254831 0.830093 Li\n0.976907 0.940576 0.079056 Si\n0.540927 0.444753 0.086717 Si\n0.009267 0.553144 0.248335 Si\n0.509267 0.053144 0.251665 Si\n0.040927 0.944753 0.413283 Si\n0.476907 0.440576 0.420944 Si\n0.976907 0.559424 0.579056 Si\n0.540927 0.055247 0.586717 Si\n0.009267 0.946856 0.748335 Si\n0.509267 0.446856 0.751665 Si\n0.040927 0.555247 0.913283 Si\n0.476907 0.059424 0.920944 Si\n0.057256 0.514840 0.076870 Bi\n0.447047 0.022419 0.093604 Bi\n0.028733 0.981105 0.241335 Bi\n0.528733 0.481105 0.258665 Bi\n0.947047 0.522419 0.406396 Bi\n0.557256 0.014840 0.423130 Bi\n0.057256 0.985160 0.576870 Bi\n0.447047 0.477581 0.593604 Bi\n0.028733 0.518895 0.741335 Bi\n0.528733 0.018895 0.758665 Bi\n0.947047 0.977581 0.906396 Bi\n0.557256 0.485160 0.923130 Bi\n0.458881 0.967496 0.987280 O\n0.958881 0.032504 0.012720 O\n0.529271 0.565299 0.027709 O\n0.775901 0.344579 0.081164 O\n0.314421 0.337986 0.080337 O\n0.204659 0.830932 0.078217 O\n0.743902 0.855151 0.098332 O\n0.047329 0.064797 0.134759 O\n0.529840 0.539559 0.152665 O\n0.037396 0.459999 0.182578 O\n0.442764 0.927530 0.196906 O\n0.284376 0.164489 0.253294 O\n0.740166 0.144220 0.231379 O\n0.784376 0.664489 0.246706 O\n0.240166 0.644220 0.268621 O\n0.942764 0.427530 0.303094 O\n0.537396 0.959999 0.317422 O\n0.029840 0.039559 0.347335 O\n0.547329 0.564797 0.365241 O\n0.243902 0.355151 0.401668 O\n0.704659 0.330932 0.421783 O\n0.814421 0.837986 0.419663 O\n0.275901 0.844579 0.418836 O\n0.029271 0.065299 0.472291 O\n0.458881 0.532504 0.487280 O\n0.958881 0.467496 0.512720 O\n0.529271 0.934701 0.527709 O\n0.775901 0.155421 0.581164 O\n0.314421 0.162014 0.580337 O\n0.204659 0.669068 0.578217 O\n0.743902 0.644849 0.598332 O\n0.047329 0.435203 0.634759 O\n0.529840 0.960441 0.652665 O\n0.037396 0.040001 0.682578 O\n0.442764 0.572470 0.696906 O\n0.740166 0.355780 0.731379 O\n0.284376 0.335511 0.753294 O\n0.240166 0.855780 0.768621 O\n0.784376 0.835511 0.746706 O\n0.942764 0.072470 0.803094 O\n0.537396 0.540001 0.817422 O\n0.029840 0.460441 0.847335 O\n0.547329 0.935203 0.865241 O\n0.243902 0.144849 0.901668 O\n0.704659 0.169068 0.921783 O\n0.814421 0.662014 0.919663 O\n0.275901 0.655421 0.918836 O\n0.029271 0.434701 0.972291 O\n",
"nsites": 84,
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"elements": [
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"Bi",
"O"
],
"chemical_system": "Bi-Li-O-Si",
"density": 5.442182767908469,
"density_atomic": 0.0744843451213276,
"volume": 1127.7537563520543,
"volume_molar": 8.085109361155732,
"formula_full": "Li12 Si12 Bi12 O48",
"formula_reduced": "LiSiBiO4",
"formula_anonymous": "ABCD4",
"energy": -578.84702162,
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"updated_at": "2021-11-28T01:35:43.302000Z",
"spacegroup": 33
},
{
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}