HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=spacegroup&page=12190",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=spacegroup&page=12188",
"results": [
{
"id": "mp-15103",
"created_at": "2022-09-04T14:46:34.355367Z",
"structure_string": "Sr12 Y8 Ge12 O48\n1.0\n-6.629743 6.629743 6.629743\n6.629743 -6.629743 6.629743\n6.629743 6.629743 -6.629743\nSr Y Ge O\n12 8 12 48\ndirect\n0.750000 0.125000 0.375000 Sr\n0.250000 0.375000 0.125000 Sr\n0.125000 0.250000 0.375000 Sr\n0.375000 0.750000 0.125000 Sr\n0.750000 0.625000 0.875000 Sr\n0.125000 0.375000 0.750000 Sr\n0.625000 0.875000 0.750000 Sr\n0.250000 0.875000 0.625000 Sr\n0.875000 0.625000 0.250000 Sr\n0.625000 0.250000 0.875000 Sr\n0.875000 0.750000 0.625000 Sr\n0.375000 0.125000 0.250000 Sr\n0.000000 0.000000 0.000000 Y\n0.500000 0.000000 0.000000 Y\n0.000000 0.500000 0.000000 Y\n0.500000 0.500000 0.000000 Y\n0.000000 0.500000 0.500000 Y\n0.500000 0.000000 0.500000 Y\n0.500000 0.500000 0.500000 Y\n0.000000 0.000000 0.500000 Y\n0.125000 0.875000 0.250000 Ge\n0.875000 0.125000 0.750000 Ge\n0.250000 0.625000 0.375000 Ge\n0.375000 0.250000 0.625000 Ge\n0.750000 0.875000 0.125000 Ge\n0.125000 0.750000 0.875000 Ge\n0.375000 0.625000 0.750000 Ge\n0.625000 0.750000 0.375000 Ge\n0.875000 0.250000 0.125000 Ge\n0.250000 0.125000 0.875000 Ge\n0.750000 0.375000 0.625000 Ge\n0.625000 0.375000 0.250000 Ge\n0.409757 0.802187 0.789800 O\n0.880043 0.392430 0.090243 O\n0.107570 0.987613 0.697813 O\n0.512387 0.619957 0.710200 O\n0.697813 0.090243 0.710200 O\n0.619957 0.710200 0.512387 O\n0.619957 0.409757 0.107570 O\n0.710200 0.512387 0.619957 O\n0.802187 0.512387 0.392430 O\n0.987613 0.789800 0.880043 O\n0.789800 0.880043 0.987613 O\n0.710200 0.697813 0.090243 O\n0.409757 0.107570 0.619957 O\n0.392430 0.802187 0.512387 O\n0.090243 0.710200 0.697813 O\n0.107570 0.619957 0.409757 O\n0.512387 0.392430 0.802187 O\n0.090243 0.880043 0.392430 O\n0.987613 0.697813 0.107570 O\n0.197813 0.487613 0.607570 O\n0.697813 0.107570 0.987613 O\n0.789800 0.409757 0.802187 O\n0.392430 0.090243 0.880043 O\n0.880043 0.987613 0.789800 O\n0.590243 0.197813 0.210200 O\n0.119957 0.607570 0.909757 O\n0.892430 0.012387 0.302187 O\n0.487613 0.380043 0.289800 O\n0.302187 0.909757 0.289800 O\n0.380043 0.289800 0.487613 O\n0.380043 0.590243 0.892430 O\n0.289800 0.487613 0.380043 O\n0.119957 0.012387 0.210200 O\n0.607570 0.909757 0.119957 O\n0.210200 0.590243 0.197813 O\n0.197813 0.210200 0.590243 O\n0.302187 0.892430 0.012387 O\n0.012387 0.302187 0.892430 O\n0.909757 0.119957 0.607570 O\n0.487613 0.607570 0.197813 O\n0.892430 0.380043 0.590243 O\n0.909757 0.289800 0.302187 O\n0.607570 0.197813 0.487613 O\n0.590243 0.892430 0.380043 O\n0.289800 0.302187 0.909757 O\n0.210200 0.119957 0.012387 O\n0.012387 0.210200 0.119957 O\n0.802187 0.789800 0.409757 O\n",
"nsites": 80,
"nelements": 4,
"elements": [
"Sr",
"Y",
"Ge",
"O"
],
"chemical_system": "Ge-O-Sr-Y",
"density": 4.847038636464743,
"density_atomic": 0.0686340956084585,
"volume": 1165.6014301751907,
"volume_molar": 8.774269853215387,
"formula_full": "Sr12 Y8 Ge12 O48",
"formula_reduced": "Sr3Y2(GeO4)3",
"formula_anonymous": "A2B3C3D12",
"energy": -609.76653968,
"energy_per_atom": -7.622081746000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -576.79053968,
"band_gap": 2.9416,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0358888,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:32.950000Z",
"spacegroup": 230
},
{
"id": "mp-1157313",
"created_at": "2022-09-04T14:46:34.835447Z",
"structure_string": "Y8 Cr12 Si12 O48\n1.0\n-6.235160 6.235160 6.235160\n6.235160 -6.235160 6.235160\n6.235160 6.235160 -6.235160\nY Cr Si O\n8 12 12 48\ndirect\n0.000000 0.000000 0.000000 Y\n0.500000 0.000000 0.000000 Y\n0.500000 0.500000 0.000000 Y\n0.000000 0.500000 0.500000 Y\n0.000000 0.000000 0.500000 Y\n0.500000 0.500000 0.500000 Y\n0.000000 0.500000 0.000000 Y\n0.500000 0.000000 0.500000 Y\n0.875000 0.750000 0.625000 Cr\n0.875000 0.625000 0.250000 Cr\n0.625000 0.875000 0.750000 Cr\n0.250000 0.875000 0.625000 Cr\n0.750000 0.625000 0.875000 Cr\n0.625000 0.250000 0.875000 Cr\n0.125000 0.250000 0.375000 Cr\n0.125000 0.375000 0.750000 Cr\n0.375000 0.125000 0.250000 Cr\n0.750000 0.125000 0.375000 Cr\n0.250000 0.375000 0.125000 Cr\n0.375000 0.750000 0.125000 Cr\n0.125000 0.750000 0.875000 Si\n0.750000 0.875000 0.125000 Si\n0.250000 0.625000 0.375000 Si\n0.625000 0.750000 0.375000 Si\n0.875000 0.125000 0.750000 Si\n0.375000 0.250000 0.625000 Si\n0.375000 0.625000 0.750000 Si\n0.250000 0.125000 0.875000 Si\n0.625000 0.375000 0.250000 Si\n0.125000 0.875000 0.250000 Si\n0.750000 0.375000 0.625000 Si\n0.875000 0.250000 0.125000 Si\n0.591336 0.888054 0.370085 O\n0.370085 0.591336 0.888054 O\n0.278749 0.296719 0.908664 O\n0.482030 0.611946 0.203281 O\n0.296719 0.888054 0.017970 O\n0.129915 0.017970 0.221251 O\n0.370085 0.278749 0.482030 O\n0.888054 0.370085 0.591336 O\n0.203281 0.221251 0.591336 O\n0.482030 0.370085 0.278749 O\n0.888054 0.017970 0.296719 O\n0.611946 0.908664 0.129915 O\n0.908664 0.129915 0.611946 O\n0.278749 0.482030 0.370085 O\n0.591336 0.203281 0.221251 O\n0.221251 0.591336 0.203281 O\n0.017970 0.296719 0.888054 O\n0.908664 0.278749 0.296719 O\n0.017970 0.221251 0.129915 O\n0.796719 0.778749 0.408664 O\n0.296719 0.908664 0.278749 O\n0.611946 0.203281 0.482030 O\n0.221251 0.129915 0.017970 O\n0.129915 0.611946 0.908664 O\n0.408664 0.111946 0.629915 O\n0.629915 0.408664 0.111946 O\n0.721251 0.703281 0.091336 O\n0.517970 0.388054 0.796719 O\n0.703281 0.111946 0.982030 O\n0.870085 0.982030 0.778749 O\n0.629915 0.721251 0.517970 O\n0.111946 0.629915 0.408664 O\n0.870085 0.388054 0.091336 O\n0.778749 0.870085 0.982030 O\n0.388054 0.796719 0.517970 O\n0.703281 0.091336 0.721251 O\n0.796719 0.517970 0.388054 O\n0.982030 0.778749 0.870085 O\n0.091336 0.721251 0.703281 O\n0.982030 0.703281 0.111946 O\n0.778749 0.408664 0.796719 O\n0.408664 0.796719 0.778749 O\n0.721251 0.517970 0.629915 O\n0.091336 0.870085 0.388054 O\n0.388054 0.091336 0.870085 O\n0.111946 0.982030 0.703281 O\n0.517970 0.629915 0.721251 O\n0.203281 0.482030 0.611946 O\n",
"nsites": 80,
"nelements": 4,
"elements": [
"Y",
"Cr",
"Si",
"O"
],
"chemical_system": "Cr-O-Si-Y",
"density": 4.178988957024427,
"density_atomic": 0.08250631462861668,
"volume": 969.6227538474081,
"volume_molar": 7.299005884709905,
"formula_full": "Y8 Cr12 Si12 O48",
"formula_reduced": "Y2Cr3(SiO4)3",
"formula_anonymous": "A2B3C3D12",
"energy": -702.70457831,
"energy_per_atom": -8.783807228875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -645.74057831,
"band_gap": 2.2234,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 47.9979086,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:35.977000Z",
"spacegroup": 230
},
{
"id": "mp-1214140",
"created_at": "2022-09-04T14:46:35.263724Z",
"structure_string": "Ca12 Mg8 As12 O48\n1.0\n-6.301450 6.301450 6.301450\n6.301450 -6.301450 6.301450\n6.301450 6.301450 -6.301450\nCa Mg As O\n12 8 12 48\ndirect\n0.250000 0.375000 0.125000 Ca\n0.750000 0.625000 0.875000 Ca\n0.750000 0.125000 0.375000 Ca\n0.125000 0.250000 0.375000 Ca\n0.375000 0.750000 0.125000 Ca\n0.250000 0.875000 0.625000 Ca\n0.875000 0.750000 0.625000 Ca\n0.625000 0.250000 0.875000 Ca\n0.375000 0.125000 0.250000 Ca\n0.625000 0.875000 0.750000 Ca\n0.125000 0.375000 0.750000 Ca\n0.875000 0.625000 0.250000 Ca\n0.000000 0.000000 0.000000 Mg\n0.500000 0.000000 0.500000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.000000 0.000000 Mg\n0.500000 0.500000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.000000 0.000000 0.500000 Mg\n0.000000 0.500000 0.000000 Mg\n0.250000 0.625000 0.375000 As\n0.750000 0.375000 0.625000 As\n0.750000 0.875000 0.125000 As\n0.375000 0.250000 0.625000 As\n0.625000 0.750000 0.375000 As\n0.250000 0.125000 0.875000 As\n0.125000 0.750000 0.875000 As\n0.875000 0.250000 0.125000 As\n0.625000 0.375000 0.250000 As\n0.375000 0.625000 0.750000 As\n0.875000 0.125000 0.750000 As\n0.125000 0.875000 0.250000 As\n0.482822 0.379156 0.291921 O\n0.517178 0.620844 0.708079 O\n0.587235 0.190901 0.208079 O\n0.912765 0.120844 0.603666 O\n0.291921 0.482822 0.379156 O\n0.309099 0.912765 0.291921 O\n0.412765 0.809099 0.791921 O\n0.087235 0.879156 0.396334 O\n0.708079 0.517178 0.620844 O\n0.690901 0.087235 0.708079 O\n0.017178 0.309099 0.896334 O\n0.208079 0.587235 0.190901 O\n0.120844 0.017178 0.208079 O\n0.982822 0.690901 0.103666 O\n0.791921 0.412765 0.809099 O\n0.879156 0.982822 0.791921 O\n0.603666 0.912765 0.120844 O\n0.190901 0.482822 0.603666 O\n0.396334 0.087235 0.879156 O\n0.809099 0.517178 0.396334 O\n0.896334 0.017178 0.309099 O\n0.379156 0.587235 0.896334 O\n0.103666 0.982822 0.690901 O\n0.620844 0.412765 0.103666 O\n0.379156 0.291921 0.482822 O\n0.587235 0.896334 0.379156 O\n0.620844 0.708079 0.517178 O\n0.412765 0.103666 0.620844 O\n0.120844 0.603666 0.912765 O\n0.017178 0.208079 0.120844 O\n0.879156 0.396334 0.087235 O\n0.982822 0.791921 0.879156 O\n0.309099 0.896334 0.017178 O\n0.912765 0.291921 0.309099 O\n0.690901 0.103666 0.982822 O\n0.087235 0.708079 0.690901 O\n0.190901 0.208079 0.587235 O\n0.482822 0.603666 0.190901 O\n0.809099 0.791921 0.412765 O\n0.517178 0.396334 0.809099 O\n0.291921 0.309099 0.912765 O\n0.708079 0.690901 0.087235 O\n0.208079 0.120844 0.017178 O\n0.791921 0.879156 0.982822 O\n0.896334 0.379156 0.587235 O\n0.103666 0.620844 0.412765 O\n0.603666 0.190901 0.482822 O\n0.396334 0.809099 0.517178 O\n",
"nsites": 80,
"nelements": 4,
"elements": [
"Ca",
"Mg",
"As",
"O"
],
"chemical_system": "As-Ca-Mg-O",
"density": 3.886242243539529,
"density_atomic": 0.07992976052709214,
"volume": 1000.8787649611944,
"volume_molar": 7.534291007864086,
"formula_full": "Ca12 Mg8 As12 O48",
"formula_reduced": "Ca3Mg2(AsO4)3",
"formula_anonymous": "A2B3C3D12",
"energy": -538.12342554,
"energy_per_atom": -6.72654281925,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -505.14742554,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0921381,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:37.169000Z",
"spacegroup": 230
},
{
"id": "mp-557717",
"created_at": "2022-09-04T14:46:35.777497Z",
"structure_string": "Li12 Nd12 W8 O48\n1.0\n-6.319511 6.319511 6.319511\n6.319511 -6.319511 6.319511\n6.319511 6.319511 -6.319511\nLi Nd W O\n12 12 8 48\ndirect\n0.250000 0.125000 0.875000 Li\n0.375000 0.625000 0.750000 Li\n0.250000 0.625000 0.375000 Li\n0.875000 0.125000 0.750000 Li\n0.625000 0.750000 0.375000 Li\n0.125000 0.875000 0.250000 Li\n0.125000 0.750000 0.875000 Li\n0.750000 0.375000 0.625000 Li\n0.750000 0.875000 0.125000 Li\n0.625000 0.375000 0.250000 Li\n0.375000 0.250000 0.625000 Li\n0.875000 0.250000 0.125000 Li\n0.375000 0.125000 0.250000 Nd\n0.875000 0.625000 0.250000 Nd\n0.625000 0.250000 0.875000 Nd\n0.250000 0.375000 0.125000 Nd\n0.125000 0.375000 0.750000 Nd\n0.375000 0.750000 0.125000 Nd\n0.875000 0.750000 0.625000 Nd\n0.750000 0.125000 0.375000 Nd\n0.625000 0.875000 0.750000 Nd\n0.125000 0.250000 0.375000 Nd\n0.750000 0.625000 0.875000 Nd\n0.250000 0.875000 0.625000 Nd\n0.000000 0.500000 0.500000 W\n0.500000 0.500000 0.500000 W\n0.500000 0.000000 0.500000 W\n0.500000 0.000000 0.000000 W\n0.500000 0.500000 0.000000 W\n0.000000 0.000000 0.000000 W\n0.000000 0.000000 0.500000 W\n0.000000 0.500000 0.000000 W\n0.579988 0.908338 0.384536 O\n0.591662 0.171650 0.476199 O\n0.115464 0.023801 0.195452 O\n0.976199 0.804548 0.884536 O\n0.328350 0.920012 0.304548 O\n0.384536 0.579988 0.908338 O\n0.828350 0.804548 0.420012 O\n0.920012 0.115464 0.591662 O\n0.091662 0.976199 0.671650 O\n0.804548 0.420012 0.828350 O\n0.408338 0.828350 0.523801 O\n0.328350 0.908338 0.023801 O\n0.884536 0.408338 0.079988 O\n0.476199 0.591662 0.171650 O\n0.195452 0.115464 0.023801 O\n0.304548 0.328350 0.920012 O\n0.908338 0.384536 0.579988 O\n0.591662 0.920012 0.115464 O\n0.476199 0.384536 0.304548 O\n0.420012 0.828350 0.804548 O\n0.195452 0.579988 0.171650 O\n0.804548 0.884536 0.976199 O\n0.695452 0.523801 0.615464 O\n0.523801 0.408338 0.828350 O\n0.304548 0.476199 0.384536 O\n0.384536 0.304548 0.476199 O\n0.171650 0.476199 0.591662 O\n0.023801 0.328350 0.908338 O\n0.408338 0.079988 0.884536 O\n0.976199 0.671650 0.091662 O\n0.079988 0.695452 0.671650 O\n0.615464 0.420012 0.091662 O\n0.420012 0.091662 0.615464 O\n0.579988 0.171650 0.195452 O\n0.523801 0.615464 0.695452 O\n0.115464 0.591662 0.920012 O\n0.884536 0.976199 0.804548 O\n0.023801 0.195452 0.115464 O\n0.671650 0.079988 0.695452 O\n0.908338 0.023801 0.328350 O\n0.695452 0.671650 0.079988 O\n0.079988 0.884536 0.408338 O\n0.828350 0.523801 0.408338 O\n0.671650 0.091662 0.976199 O\n0.920012 0.304548 0.328350 O\n0.171650 0.195452 0.579988 O\n0.091662 0.615464 0.420012 O\n0.615464 0.695452 0.523801 O\n",
"nsites": 80,
"nelements": 4,
"elements": [
"Li",
"Nd",
"W",
"O"
],
"chemical_system": "Li-Nd-O-W",
"density": 6.6665816160376075,
"density_atomic": 0.07924640566099295,
"volume": 1009.5095081312691,
"volume_molar": 7.599260445656083,
"formula_full": "Li12 Nd12 W8 O48",
"formula_reduced": "Li3Nd3(WO6)2",
"formula_anonymous": "A2B3C3D12",
"energy": -659.75226603,
"energy_per_atom": -8.246903325375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -591.27226603,
"band_gap": 3.8179,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0393647,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:40.613000Z",
"spacegroup": 230
},
{
"id": "mp-1013807",
"created_at": "2022-09-04T14:46:37.999807Z",
"structure_string": "Li12 Co8 Ge12 O48\n1.0\n-5.930888 5.930888 5.930888\n5.930888 -5.930888 5.930888\n5.930888 5.930888 -5.930888\nLi Co Ge O\n12 8 12 48\ndirect\n0.750000 0.625000 0.875000 Li\n0.250000 0.875000 0.625000 Li\n0.625000 0.250000 0.875000 Li\n0.875000 0.750000 0.625000 Li\n0.875000 0.625000 0.250000 Li\n0.625000 0.875000 0.750000 Li\n0.250000 0.375000 0.125000 Li\n0.750000 0.125000 0.375000 Li\n0.375000 0.750000 0.125000 Li\n0.125000 0.250000 0.375000 Li\n0.125000 0.375000 0.750000 Li\n0.375000 0.125000 0.250000 Li\n0.500000 0.000000 0.500000 Co\n0.000000 0.500000 0.000000 Co\n0.500000 0.500000 0.500000 Co\n0.000000 0.000000 0.500000 Co\n0.000000 0.000000 0.000000 Co\n0.000000 0.500000 0.500000 Co\n0.500000 0.500000 0.000000 Co\n0.500000 0.000000 0.000000 Co\n0.375000 0.625000 0.750000 Ge\n0.625000 0.375000 0.250000 Ge\n0.625000 0.750000 0.375000 Ge\n0.250000 0.125000 0.875000 Ge\n0.875000 0.250000 0.125000 Ge\n0.750000 0.375000 0.625000 Ge\n0.250000 0.625000 0.375000 Ge\n0.750000 0.875000 0.125000 Ge\n0.125000 0.750000 0.875000 Ge\n0.375000 0.250000 0.625000 Ge\n0.875000 0.125000 0.750000 Ge\n0.125000 0.875000 0.250000 Ge\n0.521772 0.403626 0.824436 O\n0.824436 0.521772 0.403626 O\n0.802664 0.881855 0.978228 O\n0.420809 0.096374 0.618145 O\n0.881855 0.403626 0.079191 O\n0.675564 0.079191 0.697336 O\n0.824436 0.802664 0.420809 O\n0.403626 0.824436 0.521772 O\n0.618145 0.697336 0.521772 O\n0.420809 0.824436 0.802664 O\n0.403626 0.079191 0.881855 O\n0.096374 0.978228 0.675564 O\n0.978228 0.675564 0.096374 O\n0.802664 0.420809 0.824436 O\n0.521772 0.618145 0.697336 O\n0.697336 0.521772 0.618145 O\n0.079191 0.881855 0.403626 O\n0.978228 0.802664 0.881855 O\n0.079191 0.697336 0.675564 O\n0.381855 0.302664 0.478228 O\n0.618145 0.420809 0.096374 O\n0.096374 0.618145 0.420809 O\n0.697336 0.675564 0.079191 O\n0.675564 0.096374 0.978228 O\n0.478228 0.596374 0.175564 O\n0.175564 0.478228 0.596374 O\n0.197336 0.118145 0.021772 O\n0.579191 0.903626 0.381855 O\n0.118145 0.596374 0.920809 O\n0.324436 0.920809 0.302664 O\n0.175564 0.197336 0.579191 O\n0.596374 0.175564 0.478228 O\n0.324436 0.903626 0.021772 O\n0.302664 0.324436 0.920809 O\n0.903626 0.381855 0.579191 O\n0.118145 0.021772 0.197336 O\n0.381855 0.579191 0.903626 O\n0.920809 0.302664 0.324436 O\n0.021772 0.197336 0.118145 O\n0.920809 0.118145 0.596374 O\n0.302664 0.478228 0.381855 O\n0.478228 0.381855 0.302664 O\n0.197336 0.579191 0.175564 O\n0.021772 0.324436 0.903626 O\n0.903626 0.021772 0.324436 O\n0.596374 0.920809 0.118145 O\n0.579191 0.175564 0.197336 O\n0.881855 0.978228 0.802664 O\n",
"nsites": 80,
"nelements": 4,
"elements": [
"Li",
"Co",
"Ge",
"O"
],
"chemical_system": "Co-Ge-Li-O",
"density": 4.366640776607607,
"density_atomic": 0.09586737309296649,
"volume": 834.4862012899921,
"volume_molar": 6.281741708057533,
"formula_full": "Li12 Co8 Ge12 O48",
"formula_reduced": "Li3Co2(GeO4)3",
"formula_anonymous": "A2B3C3D12",
"energy": -509.88908449,
"energy_per_atom": -6.373613556125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -463.80908449,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 12.0000006,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:38.308000Z",
"spacegroup": 230
},
{
"id": "mp-1210930",
"created_at": "2022-09-04T14:46:39.011534Z",
"structure_string": "Mn8 V12 Ag12 O48\n1.0\n-6.348051 6.348051 6.348051\n6.348051 -6.348051 6.348051\n6.348051 6.348051 -6.348051\nMn V Ag O\n8 12 12 48\ndirect\n0.000000 0.000000 0.000000 Mn\n0.500000 0.000000 0.500000 Mn\n0.000000 0.500000 0.500000 Mn\n0.500000 0.000000 0.000000 Mn\n0.500000 0.500000 0.000000 Mn\n0.500000 0.500000 0.500000 Mn\n0.000000 0.000000 0.500000 Mn\n0.000000 0.500000 0.000000 Mn\n0.250000 0.625000 0.375000 V\n0.750000 0.375000 0.625000 V\n0.750000 0.875000 0.125000 V\n0.375000 0.250000 0.625000 V\n0.625000 0.750000 0.375000 V\n0.250000 0.125000 0.875000 V\n0.125000 0.750000 0.875000 V\n0.875000 0.250000 0.125000 V\n0.625000 0.375000 0.250000 V\n0.375000 0.625000 0.750000 V\n0.875000 0.125000 0.750000 V\n0.125000 0.875000 0.250000 V\n0.250000 0.375000 0.125000 Ag\n0.750000 0.625000 0.875000 Ag\n0.750000 0.125000 0.375000 Ag\n0.125000 0.250000 0.375000 Ag\n0.375000 0.750000 0.125000 Ag\n0.250000 0.875000 0.625000 Ag\n0.875000 0.750000 0.625000 Ag\n0.625000 0.250000 0.875000 Ag\n0.375000 0.125000 0.250000 Ag\n0.625000 0.875000 0.750000 Ag\n0.125000 0.375000 0.750000 Ag\n0.875000 0.625000 0.250000 Ag\n0.492907 0.392868 0.300187 O\n0.507093 0.607132 0.699813 O\n0.592681 0.192720 0.199813 O\n0.907319 0.107132 0.600038 O\n0.300187 0.492907 0.392868 O\n0.307280 0.907319 0.300187 O\n0.407319 0.807280 0.800187 O\n0.092681 0.892868 0.399962 O\n0.699813 0.507093 0.607132 O\n0.692720 0.092681 0.699813 O\n0.007093 0.307280 0.899962 O\n0.199813 0.592681 0.192720 O\n0.107132 0.007093 0.199813 O\n0.992907 0.692720 0.100038 O\n0.800187 0.407319 0.807280 O\n0.892868 0.992907 0.800187 O\n0.600038 0.907319 0.107132 O\n0.192720 0.492907 0.600038 O\n0.399962 0.092681 0.892868 O\n0.807280 0.507093 0.399962 O\n0.899962 0.007093 0.307280 O\n0.392868 0.592681 0.899962 O\n0.100038 0.992907 0.692720 O\n0.607132 0.407319 0.100038 O\n0.392868 0.300187 0.492907 O\n0.592681 0.899962 0.392868 O\n0.607132 0.699813 0.507093 O\n0.407319 0.100038 0.607132 O\n0.107132 0.600038 0.907319 O\n0.007093 0.199813 0.107132 O\n0.892868 0.399962 0.092681 O\n0.992907 0.800187 0.892868 O\n0.307280 0.899962 0.007093 O\n0.907319 0.300187 0.307280 O\n0.692720 0.100038 0.992907 O\n0.092681 0.699813 0.692720 O\n0.192720 0.199813 0.592681 O\n0.492907 0.600038 0.192720 O\n0.807280 0.800187 0.407319 O\n0.507093 0.399962 0.807280 O\n0.300187 0.307280 0.907319 O\n0.699813 0.692720 0.092681 O\n0.199813 0.107132 0.007093 O\n0.800187 0.892868 0.992907 O\n0.899962 0.392868 0.592681 O\n0.100038 0.607132 0.407319 O\n0.600038 0.192720 0.492907 O\n0.399962 0.807280 0.507093 O\n",
"nsites": 80,
"nelements": 4,
"elements": [
"Mn",
"V",
"Ag",
"O"
],
"chemical_system": "Ag-Mn-O-V",
"density": 5.052121479401423,
"density_atomic": 0.07818235967971314,
"volume": 1023.2487267937821,
"volume_molar": 7.702684831553675,
"formula_full": "Mn8 V12 Ag12 O48",
"formula_reduced": "Mn2V3(AgO4)3",
"formula_anonymous": "A2B3C3D12",
"energy": -594.62690903,
"energy_per_atom": -7.432836362874999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -527.90690903,
"band_gap": 0.0956999999999999,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 31.9999977,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:43.946000Z",
"spacegroup": 230
},
{
"id": "mp-1213411",
"created_at": "2022-09-04T14:46:39.919511Z",
"structure_string": "Eu12 Ga20 O48\n1.0\n-6.317950 6.317950 6.317950\n6.317950 -6.317950 6.317950\n6.317950 6.317950 -6.317950\nEu Ga O\n12 20 48\ndirect\n0.250000 0.375000 0.125000 Eu\n0.750000 0.625000 0.875000 Eu\n0.750000 0.125000 0.375000 Eu\n0.125000 0.250000 0.375000 Eu\n0.375000 0.750000 0.125000 Eu\n0.250000 0.875000 0.625000 Eu\n0.875000 0.750000 0.625000 Eu\n0.625000 0.250000 0.875000 Eu\n0.375000 0.125000 0.250000 Eu\n0.625000 0.875000 0.750000 Eu\n0.125000 0.375000 0.750000 Eu\n0.875000 0.625000 0.250000 Eu\n0.250000 0.625000 0.375000 Ga\n0.750000 0.375000 0.625000 Ga\n0.750000 0.875000 0.125000 Ga\n0.375000 0.250000 0.625000 Ga\n0.625000 0.750000 0.375000 Ga\n0.250000 0.125000 0.875000 Ga\n0.125000 0.750000 0.875000 Ga\n0.875000 0.250000 0.125000 Ga\n0.625000 0.375000 0.250000 Ga\n0.375000 0.625000 0.750000 Ga\n0.875000 0.125000 0.750000 Ga\n0.125000 0.875000 0.250000 Ga\n0.000000 0.000000 0.000000 Ga\n0.500000 0.000000 0.500000 Ga\n0.000000 0.500000 0.500000 Ga\n0.500000 0.000000 0.000000 Ga\n0.500000 0.500000 0.000000 Ga\n0.500000 0.500000 0.500000 Ga\n0.000000 0.000000 0.500000 Ga\n0.000000 0.500000 0.000000 Ga\n0.476244 0.380129 0.298113 O\n0.523756 0.619871 0.701887 O\n0.582017 0.178131 0.201887 O\n0.917983 0.119871 0.596114 O\n0.298113 0.476244 0.380129 O\n0.321869 0.917983 0.298113 O\n0.417983 0.821869 0.798113 O\n0.082017 0.880129 0.403886 O\n0.701887 0.523756 0.619871 O\n0.678131 0.082017 0.701887 O\n0.023756 0.321869 0.903886 O\n0.201887 0.582017 0.178131 O\n0.119871 0.023756 0.201887 O\n0.976244 0.678131 0.096114 O\n0.798113 0.417983 0.821869 O\n0.880129 0.976244 0.798113 O\n0.596114 0.917983 0.119871 O\n0.178131 0.476244 0.596114 O\n0.403886 0.082017 0.880129 O\n0.821869 0.523756 0.403886 O\n0.903886 0.023756 0.321869 O\n0.380129 0.582017 0.903886 O\n0.096114 0.976244 0.678131 O\n0.619871 0.417983 0.096114 O\n0.380129 0.298113 0.476244 O\n0.582017 0.903886 0.380129 O\n0.619871 0.701887 0.523756 O\n0.417983 0.096114 0.619871 O\n0.119871 0.596114 0.917983 O\n0.023756 0.201887 0.119871 O\n0.880129 0.403886 0.082017 O\n0.976244 0.798113 0.880129 O\n0.321869 0.903886 0.023756 O\n0.917983 0.298113 0.321869 O\n0.678131 0.096114 0.976244 O\n0.082017 0.701887 0.678131 O\n0.178131 0.201887 0.582017 O\n0.476244 0.596114 0.178131 O\n0.821869 0.798113 0.417983 O\n0.523756 0.403886 0.821869 O\n0.298113 0.321869 0.917983 O\n0.701887 0.678131 0.082017 O\n0.201887 0.119871 0.023756 O\n0.798113 0.880129 0.976244 O\n0.903886 0.380129 0.582017 O\n0.096114 0.619871 0.417983 O\n0.596114 0.178131 0.476244 O\n0.403886 0.821869 0.523756 O\n",
"nsites": 80,
"nelements": 3,
"elements": [
"Eu",
"Ga",
"O"
],
"chemical_system": "Eu-Ga-O",
"density": 6.561418813807452,
"density_atomic": 0.0793051593100487,
"volume": 1008.7616076431393,
"volume_molar": 7.593630493138597,
"formula_full": "Eu12 Ga20 O48",
"formula_reduced": "Eu3Ga5O12",
"formula_anonymous": "A3B5C12",
"energy": -635.84066761,
"energy_per_atom": -7.948008345124999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -602.86466761,
"band_gap": 0.0485999999999999,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 72.0422654,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:48.168000Z",
"spacegroup": 230
},
{
"id": "mp-1210498",
"created_at": "2022-09-04T14:46:42.737701Z",
"structure_string": "Nd12 Ho8 Ga12 O48\n1.0\n-6.538073 6.538073 6.538073\n6.538073 -6.538073 6.538073\n6.538073 6.538073 -6.538073\nNd Ho Ga O\n12 8 12 48\ndirect\n0.250000 0.375000 0.125000 Nd\n0.750000 0.625000 0.875000 Nd\n0.750000 0.125000 0.375000 Nd\n0.125000 0.250000 0.375000 Nd\n0.375000 0.750000 0.125000 Nd\n0.250000 0.875000 0.625000 Nd\n0.875000 0.750000 0.625000 Nd\n0.625000 0.250000 0.875000 Nd\n0.375000 0.125000 0.250000 Nd\n0.625000 0.875000 0.750000 Nd\n0.125000 0.375000 0.750000 Nd\n0.875000 0.625000 0.250000 Nd\n0.000000 0.000000 0.000000 Ho\n0.500000 0.000000 0.500000 Ho\n0.000000 0.500000 0.500000 Ho\n0.500000 0.000000 0.000000 Ho\n0.500000 0.500000 0.000000 Ho\n0.500000 0.500000 0.500000 Ho\n0.000000 0.000000 0.500000 Ho\n0.000000 0.500000 0.000000 Ho\n0.250000 0.625000 0.375000 Ga\n0.750000 0.375000 0.625000 Ga\n0.750000 0.875000 0.125000 Ga\n0.375000 0.250000 0.625000 Ga\n0.625000 0.750000 0.375000 Ga\n0.250000 0.125000 0.875000 Ga\n0.125000 0.750000 0.875000 Ga\n0.875000 0.250000 0.125000 Ga\n0.625000 0.375000 0.250000 Ga\n0.375000 0.625000 0.750000 Ga\n0.875000 0.125000 0.750000 Ga\n0.125000 0.875000 0.250000 Ga\n0.471748 0.371822 0.283251 O\n0.528252 0.628178 0.716749 O\n0.588571 0.188496 0.216749 O\n0.911429 0.128178 0.599925 O\n0.283251 0.471748 0.371822 O\n0.311504 0.911429 0.283251 O\n0.411429 0.811504 0.783251 O\n0.088571 0.871822 0.400075 O\n0.716749 0.528252 0.628178 O\n0.688496 0.088571 0.716749 O\n0.028252 0.311504 0.900075 O\n0.216749 0.588571 0.188496 O\n0.128178 0.028252 0.216749 O\n0.971748 0.688496 0.099925 O\n0.783251 0.411429 0.811504 O\n0.871822 0.971748 0.783251 O\n0.599925 0.911429 0.128178 O\n0.188496 0.471748 0.599925 O\n0.400075 0.088571 0.871822 O\n0.811504 0.528252 0.400075 O\n0.900075 0.028252 0.311504 O\n0.371822 0.588571 0.900075 O\n0.099925 0.971748 0.688496 O\n0.628178 0.411429 0.099925 O\n0.371822 0.283251 0.471748 O\n0.588571 0.900075 0.371822 O\n0.628178 0.716749 0.528252 O\n0.411429 0.099925 0.628178 O\n0.128178 0.599925 0.911429 O\n0.028252 0.216749 0.128178 O\n0.871822 0.400075 0.088571 O\n0.971748 0.783251 0.871822 O\n0.311504 0.900075 0.028252 O\n0.911429 0.283251 0.311504 O\n0.688496 0.099925 0.971748 O\n0.088571 0.716749 0.688496 O\n0.188496 0.216749 0.588571 O\n0.471748 0.599925 0.188496 O\n0.811504 0.783251 0.411429 O\n0.528252 0.400075 0.811504 O\n0.283251 0.311504 0.911429 O\n0.716749 0.688496 0.088571 O\n0.216749 0.128178 0.028252 O\n0.783251 0.871822 0.971748 O\n0.900075 0.371822 0.588571 O\n0.099925 0.628178 0.411429 O\n0.599925 0.188496 0.471748 O\n0.400075 0.811504 0.528252 O\n",
"nsites": 80,
"nelements": 4,
"elements": [
"Nd",
"Ho",
"Ga",
"O"
],
"chemical_system": "Ga-Ho-Nd-O",
"density": 6.914470264535997,
"density_atomic": 0.07156170835040619,
"volume": 1117.9162969150375,
"volume_molar": 8.415311622400386,
"formula_full": "Nd12 Ho8 Ga12 O48",
"formula_reduced": "Nd3Ho2(GaO4)3",
"formula_anonymous": "A2B3C3D12",
"energy": -634.92126864,
"energy_per_atom": -7.936515858,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -601.94526864,
"band_gap": 3.5775,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0020168,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:50.685000Z",
"spacegroup": 230
},
{
"id": "mp-1199290",
"created_at": "2022-09-04T14:46:52.921151Z",
"structure_string": "Cs24 U8 Cu48 S60\n1.0\n-9.603577 -9.603577 9.603577\n-9.603577 9.603577 -9.603577\n9.603577 -9.603577 -9.603577\nCs U Cu S\n24 8 48 60\ndirect\n0.816548 0.908274 0.158274 Cs\n0.683452 0.341726 0.591726 Cs\n0.750000 0.591726 0.908274 Cs\n0.750000 0.158274 0.341726 Cs\n0.158274 0.816548 0.908274 Cs\n0.591726 0.683452 0.341726 Cs\n0.908274 0.750000 0.591726 Cs\n0.341726 0.750000 0.158274 Cs\n0.908274 0.158274 0.816548 Cs\n0.341726 0.591726 0.683452 Cs\n0.591726 0.908274 0.750000 Cs\n0.158274 0.341726 0.750000 Cs\n0.183452 0.091726 0.841726 Cs\n0.316548 0.658274 0.408274 Cs\n0.250000 0.408274 0.091726 Cs\n0.250000 0.841726 0.658274 Cs\n0.841726 0.183452 0.091726 Cs\n0.408274 0.316548 0.658274 Cs\n0.091726 0.250000 0.408274 Cs\n0.658274 0.250000 0.841726 Cs\n0.091726 0.841726 0.183452 Cs\n0.658274 0.408274 0.316548 Cs\n0.408274 0.091726 0.250000 Cs\n0.841726 0.658274 0.250000 Cs\n-0.000000 0.500000 0.000000 U\n0.500000 -0.000000 0.000000 U\n-0.000000 -0.000000 0.500000 U\n0.500000 0.500000 0.500000 U\n-0.000000 0.500000 0.500000 U\n0.500000 -0.000000 0.500000 U\n0.500000 0.500000 0.000000 U\n-0.000000 -0.000000 0.000000 U\n0.932547 0.567836 0.847510 Cu\n0.567453 0.914963 0.135289 Cu\n0.779674 0.932164 0.364711 Cu\n0.720326 0.585037 0.652490 Cu\n0.847510 0.932547 0.567836 Cu\n0.135289 0.567453 0.914963 Cu\n0.364711 0.779674 0.932164 Cu\n0.652490 0.720326 0.585037 Cu\n0.567836 0.847510 0.932547 Cu\n0.914963 0.135289 0.567453 Cu\n0.932164 0.364711 0.779674 Cu\n0.585037 0.652490 0.720326 Cu\n0.067453 0.432164 0.152490 Cu\n0.432547 0.085037 0.864711 Cu\n0.220326 0.067836 0.635289 Cu\n0.279674 0.414963 0.347510 Cu\n0.152490 0.067453 0.432164 Cu\n0.864711 0.432547 0.085037 Cu\n0.635289 0.220326 0.067836 Cu\n0.347510 0.279674 0.414963 Cu\n0.432164 0.152490 0.067453 Cu\n0.085037 0.864711 0.432547 Cu\n0.067836 0.635289 0.220326 Cu\n0.414963 0.347510 0.279674 Cu\n0.067836 0.432547 0.347510 Cu\n0.414963 0.067453 0.635289 Cu\n0.432164 0.279674 0.864711 Cu\n0.085037 0.220326 0.152490 Cu\n0.432547 0.347510 0.067836 Cu\n0.067453 0.635289 0.414963 Cu\n0.279674 0.864711 0.432164 Cu\n0.220326 0.152490 0.085037 Cu\n0.347510 0.067836 0.432547 Cu\n0.635289 0.414963 0.067453 Cu\n0.864711 0.432164 0.279674 Cu\n0.152490 0.085037 0.220326 Cu\n0.932164 0.567453 0.652490 Cu\n0.585037 0.932547 0.364711 Cu\n0.567836 0.720326 0.135289 Cu\n0.914963 0.779674 0.847510 Cu\n0.567453 0.652490 0.932164 Cu\n0.932547 0.364711 0.585037 Cu\n0.720326 0.135289 0.567836 Cu\n0.779674 0.847510 0.914963 Cu\n0.652490 0.932164 0.567453 Cu\n0.364711 0.585037 0.932547 Cu\n0.135289 0.567836 0.720326 Cu\n0.847510 0.914963 0.779674 Cu\n0.077842 0.656554 0.669145 S\n0.422158 0.591303 0.078713 S\n0.512591 0.843446 0.421287 S\n0.987409 0.908697 0.830855 S\n0.669145 0.077842 0.656554 S\n0.078713 0.422158 0.591303 S\n0.421287 0.512591 0.843446 S\n0.830855 0.987409 0.908697 S\n0.656554 0.669145 0.077842 S\n0.591303 0.078713 0.422158 S\n0.843446 0.421287 0.512591 S\n0.908697 0.830855 0.987409 S\n0.922158 0.343446 0.330855 S\n0.577842 0.408697 0.921287 S\n0.487409 0.156554 0.578713 S\n0.012591 0.091303 0.169145 S\n0.330855 0.922158 0.343446 S\n0.921287 0.577842 0.408697 S\n0.578713 0.487409 0.156554 S\n0.169145 0.012591 0.091303 S\n0.343446 0.330855 0.922158 S\n0.408697 0.921287 0.577842 S\n0.156554 0.578713 0.487409 S\n0.091303 0.169145 0.012591 S\n0.156554 0.577842 0.169145 S\n0.091303 0.922158 0.578713 S\n0.343446 0.012591 0.921287 S\n0.408697 0.487409 0.330855 S\n0.577842 0.169145 0.156554 S\n0.922158 0.578713 0.091303 S\n0.012591 0.921287 0.343446 S\n0.487409 0.330855 0.408697 S\n0.169145 0.156554 0.577842 S\n0.578713 0.091303 0.922158 S\n0.921287 0.343446 0.012591 S\n0.330855 0.408697 0.487409 S\n0.843446 0.422158 0.830855 S\n0.908697 0.077842 0.421287 S\n0.656554 0.987409 0.078713 S\n0.591303 0.512591 0.669145 S\n0.422158 0.830855 0.843446 S\n0.077842 0.421287 0.908697 S\n0.987409 0.078713 0.656554 S\n0.512591 0.669145 0.591303 S\n0.830855 0.843446 0.422158 S\n0.421287 0.908697 0.077842 S\n0.078713 0.656554 0.987409 S\n0.669145 0.591303 0.512591 S\n0.250000 0.625000 0.875000 S\n0.750000 0.875000 0.625000 S\n0.875000 0.250000 0.625000 S\n0.625000 0.750000 0.875000 S\n0.625000 0.875000 0.250000 S\n0.875000 0.625000 0.750000 S\n0.750000 0.375000 0.125000 S\n0.250000 0.125000 0.375000 S\n0.125000 0.750000 0.375000 S\n0.375000 0.250000 0.125000 S\n0.375000 0.125000 0.750000 S\n0.125000 0.375000 0.250000 S\n",
"nsites": 140,
"nelements": 4,
"elements": [
"Cs",
"U",
"Cu",
"S"
],
"chemical_system": "Cs-Cu-S-U",
"density": 4.7188510537648485,
"density_atomic": 0.03951563596317573,
"volume": 3542.9013499988905,
"volume_molar": 15.239893306062388,
"formula_full": "Cs24 U8 Cu48 S60",
"formula_reduced": "Cs6U2(Cu4S5)3",
"formula_anonymous": "A2B6C12D15",
"energy": -705.73276498,
"energy_per_atom": -5.040948321285714,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -675.55276498,
"band_gap": 0.4981,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0001487,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:41.948000Z",
"spacegroup": 230
},
{
"id": "mp-21757",
"created_at": "2022-09-04T14:46:53.369988Z",
"structure_string": "Eu12 Al20 O48\n1.0\n-6.138773 6.138773 6.138773\n6.138773 -6.138773 6.138773\n6.138773 6.138773 -6.138773\nEu Al O\n12 20 48\ndirect\n0.875000 0.625000 0.250000 Eu\n0.625000 0.250000 0.875000 Eu\n0.875000 0.750000 0.625000 Eu\n0.750000 0.625000 0.875000 Eu\n0.250000 0.875000 0.625000 Eu\n0.625000 0.875000 0.750000 Eu\n0.125000 0.375000 0.750000 Eu\n0.375000 0.750000 0.125000 Eu\n0.125000 0.250000 0.375000 Eu\n0.250000 0.375000 0.125000 Eu\n0.750000 0.125000 0.375000 Eu\n0.375000 0.125000 0.250000 Eu\n0.125000 0.875000 0.250000 Al\n0.875000 0.125000 0.750000 Al\n0.250000 0.625000 0.375000 Al\n0.375000 0.250000 0.625000 Al\n0.750000 0.875000 0.125000 Al\n0.125000 0.750000 0.875000 Al\n0.375000 0.625000 0.750000 Al\n0.625000 0.750000 0.375000 Al\n0.875000 0.250000 0.125000 Al\n0.250000 0.125000 0.875000 Al\n0.750000 0.375000 0.625000 Al\n0.625000 0.375000 0.250000 Al\n0.500000 0.500000 0.500000 Al\n0.500000 0.000000 0.500000 Al\n0.000000 0.500000 0.500000 Al\n0.500000 0.500000 0.000000 Al\n0.000000 0.000000 0.500000 Al\n0.000000 0.500000 0.000000 Al\n0.500000 0.000000 0.000000 Al\n0.000000 0.000000 0.000000 Al\n0.920190 0.115472 0.600491 O\n0.180301 0.195282 0.579810 O\n0.304718 0.485019 0.384528 O\n0.014981 0.319699 0.899509 O\n0.384528 0.579810 0.899509 O\n0.319699 0.899509 0.014981 O\n0.319699 0.920190 0.304718 O\n0.899509 0.014981 0.319699 O\n0.115472 0.014981 0.195282 O\n0.485019 0.600491 0.180301 O\n0.600491 0.180301 0.485019 O\n0.899509 0.384528 0.579810 O\n0.920190 0.304718 0.319699 O\n0.195282 0.115472 0.014981 O\n0.579810 0.899509 0.384528 O\n0.304718 0.319699 0.920190 O\n0.014981 0.195282 0.115472 O\n0.579810 0.180301 0.195282 O\n0.485019 0.384528 0.304718 O\n0.884528 0.985019 0.804718 O\n0.384528 0.304718 0.485019 O\n0.600491 0.920190 0.115472 O\n0.195282 0.579810 0.180301 O\n0.180301 0.485019 0.600491 O\n0.079810 0.884528 0.399509 O\n0.819699 0.804718 0.420190 O\n0.695282 0.514981 0.615472 O\n0.985019 0.680301 0.100491 O\n0.615472 0.420190 0.100491 O\n0.680301 0.100491 0.985019 O\n0.680301 0.079810 0.695282 O\n0.100491 0.985019 0.680301 O\n0.819699 0.514981 0.399509 O\n0.804718 0.420190 0.819699 O\n0.399509 0.079810 0.884528 O\n0.884528 0.399509 0.079810 O\n0.615472 0.695282 0.514981 O\n0.514981 0.615472 0.695282 O\n0.420190 0.819699 0.804718 O\n0.985019 0.804718 0.884528 O\n0.695282 0.680301 0.079810 O\n0.420190 0.100491 0.615472 O\n0.804718 0.884528 0.985019 O\n0.079810 0.695282 0.680301 O\n0.100491 0.615472 0.420190 O\n0.399509 0.819699 0.514981 O\n0.514981 0.399509 0.819699 O\n0.115472 0.600491 0.920190 O\n",
"nsites": 80,
"nelements": 3,
"elements": [
"Eu",
"Al",
"O"
],
"chemical_system": "Al-Eu-O",
"density": 5.618896424882195,
"density_atomic": 0.08645403603326318,
"volume": 925.3471980095875,
"volume_molar": 6.96571384785666,
"formula_full": "Eu12 Al20 O48",
"formula_reduced": "Eu3Al5O12",
"formula_anonymous": "A3B5C12",
"energy": -707.32394988,
"energy_per_atom": -8.8415493735,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -674.34794988,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 72.1026187,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:44.756000Z",
"spacegroup": 230
},
{
"id": "mp-559829",
"created_at": "2022-09-04T14:46:55.378702Z",
"structure_string": "Si48 O96\n1.0\n-10.471158 10.471158 10.471158\n10.471158 -10.471158 10.471158\n10.471158 10.471158 -10.471158\nSi O\n48 96\ndirect\n0.168114 0.154616 0.857913 Si\n0.154616 0.857913 0.168114 Si\n0.703297 0.857913 0.189799 Si\n0.513499 0.703297 0.345384 Si\n0.689799 0.831886 0.486501 Si\n0.345384 0.513499 0.703297 Si\n0.845384 0.203297 0.013499 Si\n0.203297 0.013499 0.845384 Si\n0.986501 0.331886 0.189799 Si\n0.831886 0.845384 0.142087 Si\n0.857913 0.168114 0.154616 Si\n0.845384 0.142087 0.831886 Si\n0.654616 0.486501 0.296703 Si\n0.296703 0.142087 0.810201 Si\n0.654616 0.668114 0.357913 Si\n0.986501 0.154616 0.796703 Si\n0.642087 0.796703 0.310201 Si\n0.331886 0.642087 0.345384 Si\n0.810201 0.013499 0.668114 Si\n0.513499 0.310201 0.168114 Si\n0.310201 0.168114 0.513499 Si\n0.296703 0.654616 0.486501 Si\n0.013499 0.845384 0.203297 Si\n0.331886 0.189799 0.986501 Si\n0.357913 0.203297 0.689799 Si\n0.154616 0.796703 0.986501 Si\n0.203297 0.689799 0.357913 Si\n0.689799 0.357913 0.203297 Si\n0.703297 0.345384 0.513499 Si\n0.345384 0.331886 0.642087 Si\n0.486501 0.689799 0.831886 Si\n0.189799 0.986501 0.331886 Si\n0.168114 0.513499 0.310201 Si\n0.810201 0.296703 0.142087 Si\n0.831886 0.486501 0.689799 Si\n0.857913 0.189799 0.703297 Si\n0.142087 0.831886 0.845384 Si\n0.668114 0.357913 0.654616 Si\n0.796703 0.310201 0.642087 Si\n0.357913 0.654616 0.668114 Si\n0.642087 0.345384 0.331886 Si\n0.310201 0.642087 0.796703 Si\n0.486501 0.296703 0.654616 Si\n0.796703 0.986501 0.154616 Si\n0.013499 0.668114 0.810201 Si\n0.668114 0.810201 0.013499 Si\n0.142087 0.810201 0.296703 Si\n0.189799 0.703297 0.857913 Si\n0.783706 0.452921 0.580604 O\n0.830785 0.127683 0.047079 O\n0.750000 0.964886 0.214886 O\n0.214886 0.964886 0.250000 O\n0.372317 0.669215 0.452921 O\n0.035114 0.785114 0.250000 O\n0.250000 0.035114 0.785114 O\n0.169215 0.796898 0.216294 O\n0.591605 0.750000 0.908395 O\n0.080604 0.952921 0.283706 O\n0.330785 0.547079 0.627683 O\n0.535114 0.750000 0.285114 O\n0.183210 0.841605 0.091605 O\n0.203102 0.783706 0.830785 O\n0.964886 0.250000 0.214886 O\n0.580604 0.296898 0.127683 O\n0.952921 0.283706 0.080604 O\n0.669215 0.716294 0.296898 O\n0.785114 0.250000 0.035114 O\n0.047079 0.716294 0.919396 O\n0.250000 0.091605 0.408395 O\n0.283706 0.080604 0.952921 O\n0.872317 0.419396 0.703102 O\n0.547079 0.419396 0.216294 O\n0.158395 0.750000 0.341605 O\n0.216294 0.169215 0.796898 O\n0.658395 0.316790 0.408395 O\n0.964886 0.214886 0.750000 O\n0.716294 0.919396 0.047079 O\n0.841605 0.250000 0.658395 O\n0.047079 0.830785 0.127683 O\n0.419396 0.216294 0.547079 O\n0.285114 0.535114 0.750000 O\n0.919396 0.372317 0.203102 O\n0.464886 0.714886 0.750000 O\n0.330785 0.283706 0.703102 O\n0.785114 0.035114 0.750000 O\n0.214886 0.750000 0.964886 O\n0.341605 0.683210 0.591605 O\n0.750000 0.785114 0.035114 O\n0.591605 0.341605 0.683210 O\n0.250000 0.535114 0.285114 O\n0.408395 0.658395 0.316790 O\n0.452921 0.372317 0.669215 O\n0.547079 0.627683 0.330785 O\n0.250000 0.214886 0.964886 O\n0.464886 0.250000 0.714886 O\n0.830785 0.203102 0.783706 O\n0.816790 0.158395 0.908395 O\n0.216294 0.547079 0.419396 O\n0.908395 0.816790 0.158395 O\n0.452921 0.580604 0.783706 O\n0.158395 0.908395 0.816790 O\n0.250000 0.658395 0.841605 O\n0.714886 0.750000 0.464886 O\n0.783706 0.830785 0.203102 O\n0.283706 0.703102 0.330785 O\n0.580604 0.783706 0.452921 O\n0.419396 0.703102 0.872317 O\n0.203102 0.919396 0.372317 O\n0.250000 0.714886 0.464886 O\n0.127683 0.047079 0.830785 O\n0.296898 0.669215 0.716294 O\n0.127683 0.580604 0.296898 O\n0.372317 0.203102 0.919396 O\n0.750000 0.908395 0.591605 O\n0.919396 0.047079 0.716294 O\n0.796898 0.216294 0.169215 O\n0.669215 0.452921 0.372317 O\n0.796898 0.080604 0.627683 O\n0.750000 0.341605 0.158395 O\n0.750000 0.285114 0.535114 O\n0.908395 0.591605 0.750000 O\n0.091605 0.183210 0.841605 O\n0.952921 0.169215 0.872317 O\n0.872317 0.952921 0.169215 O\n0.627683 0.330785 0.547079 O\n0.035114 0.750000 0.785114 O\n0.169215 0.872317 0.952921 O\n0.285114 0.250000 0.535114 O\n0.296898 0.127683 0.580604 O\n0.627683 0.796898 0.080604 O\n0.341605 0.158395 0.750000 O\n0.316790 0.408395 0.658395 O\n0.703102 0.872317 0.419396 O\n0.841605 0.091605 0.183210 O\n0.683210 0.591605 0.341605 O\n0.703102 0.330785 0.283706 O\n0.080604 0.627683 0.796898 O\n0.408395 0.250000 0.091605 O\n0.750000 0.464886 0.714886 O\n0.658395 0.841605 0.250000 O\n0.716294 0.296898 0.669215 O\n0.535114 0.285114 0.250000 O\n0.091605 0.408395 0.250000 O\n0.714886 0.464886 0.250000 O\n",
"nsites": 144,
"nelements": 2,
"elements": [
"Si",
"O"
],
"chemical_system": "O-Si",
"density": 1.042814859958526,
"density_atomic": 0.03135583442992674,
"volume": 4592.44675251133,
"volume_molar": 19.205806094741742,
"formula_full": "Si48 O96",
"formula_reduced": "SiO2",
"formula_anonymous": "AB2",
"energy": -1186.2140731,
"energy_per_atom": -8.237597729861111,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1120.2620731,
"band_gap": 6.106,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0026546,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:45.935000Z",
"spacegroup": 230
},
{
"id": "mp-1325795",
"created_at": "2022-09-04T14:46:56.265315Z",
"structure_string": "Zn12 Ni8 Ge12 O48\n1.0\n-5.999643 5.999643 5.999643\n5.999643 -5.999643 5.999643\n5.999643 5.999643 -5.999643\nZn Ni Ge O\n12 8 12 48\ndirect\n0.250000 0.875000 0.625000 Zn\n0.750000 0.625000 0.875000 Zn\n0.625000 0.875000 0.750000 Zn\n0.875000 0.625000 0.250000 Zn\n0.625000 0.250000 0.875000 Zn\n0.875000 0.750000 0.625000 Zn\n0.750000 0.125000 0.375000 Zn\n0.250000 0.375000 0.125000 Zn\n0.375000 0.125000 0.250000 Zn\n0.125000 0.375000 0.750000 Zn\n0.375000 0.750000 0.125000 Zn\n0.125000 0.250000 0.375000 Zn\n0.500000 0.500000 0.500000 Ni\n0.500000 0.000000 0.500000 Ni\n0.000000 0.500000 0.500000 Ni\n0.500000 0.500000 0.000000 Ni\n0.000000 0.000000 0.500000 Ni\n0.000000 0.500000 0.000000 Ni\n0.500000 0.000000 0.000000 Ni\n0.000000 0.000000 0.000000 Ni\n0.125000 0.750000 0.875000 Ge\n0.875000 0.250000 0.125000 Ge\n0.625000 0.375000 0.250000 Ge\n0.750000 0.875000 0.125000 Ge\n0.875000 0.125000 0.750000 Ge\n0.250000 0.625000 0.375000 Ge\n0.750000 0.375000 0.625000 Ge\n0.250000 0.125000 0.875000 Ge\n0.125000 0.875000 0.250000 Ge\n0.375000 0.625000 0.750000 Ge\n0.625000 0.750000 0.375000 Ge\n0.375000 0.250000 0.625000 Ge\n0.420055 0.819935 0.792249 O\n0.872194 0.399880 0.079945 O\n0.100120 0.972314 0.680065 O\n0.527686 0.627806 0.707751 O\n0.680065 0.079945 0.707751 O\n0.627806 0.707751 0.527686 O\n0.627806 0.420055 0.100120 O\n0.707751 0.527686 0.627806 O\n0.819935 0.527686 0.399880 O\n0.972314 0.792249 0.872194 O\n0.792249 0.872194 0.972314 O\n0.707751 0.680065 0.079945 O\n0.420055 0.100120 0.627806 O\n0.399880 0.819935 0.527686 O\n0.079945 0.707751 0.680065 O\n0.100120 0.627806 0.420055 O\n0.527686 0.399880 0.819935 O\n0.079945 0.872194 0.399880 O\n0.972314 0.680065 0.100120 O\n0.180065 0.472314 0.600120 O\n0.680065 0.100120 0.972314 O\n0.792249 0.420055 0.819935 O\n0.399880 0.079945 0.872194 O\n0.872194 0.972314 0.792249 O\n0.579945 0.180065 0.207751 O\n0.127806 0.600120 0.920055 O\n0.899880 0.027686 0.319935 O\n0.472314 0.372194 0.292249 O\n0.319935 0.920055 0.292249 O\n0.372194 0.292249 0.472314 O\n0.372194 0.579945 0.899880 O\n0.292249 0.472314 0.372194 O\n0.127806 0.027686 0.207751 O\n0.600120 0.920055 0.127806 O\n0.207751 0.579945 0.180065 O\n0.180065 0.207751 0.579945 O\n0.319935 0.899880 0.027686 O\n0.027686 0.319935 0.899880 O\n0.920055 0.127806 0.600120 O\n0.472314 0.600120 0.180065 O\n0.899880 0.372194 0.579945 O\n0.920055 0.292249 0.319935 O\n0.600120 0.180065 0.472314 O\n0.579945 0.899880 0.372194 O\n0.292249 0.319935 0.920055 O\n0.207751 0.127806 0.027686 O\n0.027686 0.207751 0.127806 O\n0.819935 0.792249 0.420055 O\n",
"nsites": 80,
"nelements": 4,
"elements": [
"Zn",
"Ni",
"Ge",
"O"
],
"chemical_system": "Ge-Ni-O-Zn",
"density": 5.563234575621787,
"density_atomic": 0.09260912233737098,
"volume": 863.845785176146,
"volume_molar": 6.502751141579341,
"formula_full": "Zn12 Ni8 Ge12 O48",
"formula_reduced": "Zn3Ni2(GeO4)3",
"formula_anonymous": "A2B3C3D12",
"energy": -483.89819908,
"energy_per_atom": -6.0487274885,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -430.59419908,
"band_gap": 0.0817000000000001,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 7.9912157,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:48.250000Z",
"spacegroup": 230
}
]
}