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=-formula_reduced&page=1752",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-formula_reduced&page=1750",
"results": [
{
"id": "mp-3114",
"created_at": "2022-09-04T14:46:29.644719Z",
"structure_string": "Tb8 Mo12 O48\n1.0\n10.558188 0.000000 0.000000\n0.000000 10.567519 0.000000\n0.000000 0.000000 10.750035\nTb Mo O\n8 12 48\ndirect\n0.996442 0.187643 0.262765 Tb\n0.003558 0.812357 0.262765 Tb\n0.503558 0.687643 0.262765 Tb\n0.496442 0.312357 0.262765 Tb\n0.687724 0.001927 0.738076 Tb\n0.312276 0.998073 0.738076 Tb\n0.812276 0.501927 0.738076 Tb\n0.187724 0.498073 0.738076 Tb\n0.745478 0.253526 0.000280 Mo\n0.254522 0.746474 0.000280 Mo\n0.754522 0.753526 0.000280 Mo\n0.245478 0.246474 0.000280 Mo\n0.501294 0.292944 0.644255 Mo\n0.498706 0.707056 0.644255 Mo\n0.998706 0.792944 0.644255 Mo\n0.001294 0.207056 0.644255 Mo\n0.706792 0.006487 0.356473 Mo\n0.293208 0.993513 0.356473 Mo\n0.793208 0.506487 0.356473 Mo\n0.206792 0.493513 0.356473 Mo\n0.674914 0.136826 0.901393 O\n0.325086 0.863174 0.901393 O\n0.825086 0.636826 0.901393 O\n0.174914 0.363174 0.901393 O\n0.861113 0.181619 0.099696 O\n0.138887 0.818381 0.099696 O\n0.638887 0.681619 0.099696 O\n0.361113 0.318381 0.099696 O\n0.817771 0.372085 0.904622 O\n0.182229 0.627915 0.904622 O\n0.682229 0.872085 0.904622 O\n0.317771 0.127915 0.904622 O\n0.625645 0.324421 0.095289 O\n0.374355 0.675579 0.095289 O\n0.874355 0.824421 0.095289 O\n0.125645 0.175579 0.095289 O\n0.871496 0.124823 0.713217 O\n0.876319 0.373875 0.294353 O\n0.623681 0.873875 0.294353 O\n0.376319 0.126125 0.294353 O\n0.195354 0.493957 0.521874 O\n0.804646 0.506043 0.521874 O\n0.304646 0.993957 0.521874 O\n0.695354 0.006043 0.521874 O\n0.487704 0.304151 0.479273 O\n0.512296 0.695849 0.479273 O\n0.012296 0.804151 0.479273 O\n0.987704 0.195849 0.479273 O\n0.126501 0.002726 0.308755 O\n0.873499 0.997274 0.308755 O\n0.373499 0.502726 0.308755 O\n0.626501 0.497274 0.308755 O\n0.496541 0.126351 0.692402 O\n0.503459 0.873649 0.692402 O\n0.003459 0.626351 0.692402 O\n0.996541 0.373649 0.692402 O\n0.150283 0.144151 0.691895 O\n0.849717 0.855849 0.691895 O\n0.349717 0.644151 0.691895 O\n0.650283 0.355849 0.691895 O\n0.145051 0.346717 0.301392 O\n0.854949 0.653283 0.301392 O\n0.354949 0.846717 0.301392 O\n0.645051 0.153283 0.301392 O\n0.371496 0.375177 0.713217 O\n0.628504 0.624823 0.713217 O\n0.128504 0.875177 0.713217 O\n0.123681 0.626125 0.294353 O\n",
"nsites": 68,
"nelements": 3,
"elements": [
"Tb",
"Mo",
"O"
],
"chemical_system": "Mo-O-Tb",
"density": 4.4172960016694525,
"density_atomic": 0.0566939356341536,
"volume": 1199.4228172622293,
"volume_molar": 10.62219564163074,
"formula_full": "Tb8 Mo12 O48",
"formula_reduced": "Tb2(MoO4)3",
"formula_anonymous": "A2B3C12",
"energy": -585.4247335300001,
"energy_per_atom": -8.609187257794119,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -514.02473353,
"band_gap": 3.5663,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 4.27e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:43.288000Z",
"spacegroup": 32
},
{
"id": "mp-29945",
"created_at": "2022-09-04T14:40:15.780243Z",
"structure_string": "Tb4 Mo8 O30\n1.0\n9.747010 0.000000 0.000000\n0.000000 6.955173 0.000000\n0.000000 2.805675 10.470578\nTb Mo O\n4 8 30\ndirect\n0.523527 0.206779 0.225343 Tb\n0.023527 0.793221 0.274657 Tb\n0.476473 0.793221 0.774657 Tb\n0.976473 0.206779 0.725343 Tb\n0.257145 0.080394 0.990045 Mo\n0.757145 0.919606 0.509955 Mo\n0.742855 0.919606 0.009955 Mo\n0.242855 0.080394 0.490045 Mo\n0.905761 0.383037 0.155505 Mo\n0.405761 0.616963 0.344495 Mo\n0.094239 0.616963 0.844495 Mo\n0.594239 0.383037 0.655505 Mo\n0.166274 0.885617 0.100338 O\n0.666274 0.114383 0.399662 O\n0.833726 0.114383 0.899662 O\n0.333726 0.885617 0.600338 O\n0.972991 0.455841 0.289064 O\n0.472991 0.544159 0.210936 O\n0.027009 0.544159 0.710936 O\n0.527009 0.455841 0.789064 O\n0.372426 0.972610 0.899219 O\n0.872426 0.027390 0.600781 O\n0.627574 0.027390 0.100781 O\n0.127574 0.972610 0.399219 O\n0.500000 0.500000 0.500000 O\n0.000000 0.500000 0.000000 O\n0.363577 0.241205 0.383467 O\n0.863577 0.758795 0.116533 O\n0.636423 0.758795 0.616533 O\n0.136423 0.241205 0.883467 O\n0.776037 0.385523 0.650657 O\n0.276037 0.614477 0.849343 O\n0.223963 0.614477 0.349343 O\n0.723963 0.385523 0.150657 O\n0.149858 0.218663 0.580968 O\n0.649858 0.781337 0.919032 O\n0.850142 0.781337 0.419032 O\n0.350142 0.218663 0.080968 O\n0.551864 0.127159 0.684905 O\n0.051864 0.872841 0.815095 O\n0.448136 0.872841 0.315095 O\n0.948136 0.127159 0.184905 O\n",
"nsites": 42,
"nelements": 3,
"elements": [
"Tb",
"Mo",
"O"
],
"chemical_system": "Mo-O-Tb",
"density": 4.405511326155491,
"density_atomic": 0.05916968884360257,
"volume": 709.8228978525556,
"volume_molar": 10.177746203664741,
"formula_full": "Tb4 Mo8 O30",
"formula_reduced": "Tb2Mo4O15",
"formula_anonymous": "A2B4C15",
"energy": -359.64943879000003,
"energy_per_atom": -8.563081875952381,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -313.42343879,
"band_gap": 3.3306,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0021987,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:51.888000Z",
"spacegroup": 14
},
{
"id": "mp-19200",
"created_at": "2022-09-04T14:46:38.622586Z",
"structure_string": "Tb4 Mo4 O14\n1.0\n0.000000 5.216802 5.216802\n5.216802 0.000000 5.216802\n5.216802 5.216802 0.000000\nTb Mo O\n4 4 14\ndirect\n0.125000 0.125000 0.125000 Tb\n0.625000 0.125000 0.125000 Tb\n0.125000 0.125000 0.625000 Tb\n0.125000 0.625000 0.125000 Tb\n0.625000 0.625000 0.625000 Mo\n0.125000 0.625000 0.625000 Mo\n0.625000 0.625000 0.125000 Mo\n0.625000 0.125000 0.625000 Mo\n0.000000 0.000000 0.000000 O\n0.250000 0.250000 0.250000 O\n0.286961 0.286961 0.713039 O\n0.536961 0.536961 0.963039 O\n0.713039 0.286961 0.713039 O\n0.713039 0.286961 0.286961 O\n0.286961 0.713039 0.713039 O\n0.286961 0.713039 0.286961 O\n0.713039 0.713039 0.286961 O\n0.963039 0.536961 0.536961 O\n0.536961 0.963039 0.963039 O\n0.963039 0.963039 0.536961 O\n0.963039 0.536961 0.963039 O\n0.536961 0.963039 0.536961 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Tb",
"Mo",
"O"
],
"chemical_system": "Mo-O-Tb",
"density": 7.271690988009973,
"density_atomic": 0.07747821812158255,
"volume": 283.9507739514161,
"volume_molar": 7.772688771119861,
"formula_full": "Tb4 Mo4 O14",
"formula_reduced": "Tb2Mo2O7",
"formula_anonymous": "A2B2C7",
"energy": -195.2456143,
"energy_per_atom": -8.87480065,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -172.8196143,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 8.0001529,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:42.654000Z",
"spacegroup": 227
},
{
"id": "mp-1025326",
"created_at": "2022-09-04T14:48:03.547044Z",
"structure_string": "Tb2 Mo2 C3\n1.0\n1.680627 5.925011 0.000000\n-1.680627 5.925011 0.000000\n0.000000 2.243506 5.296024\nTb Mo C\n2 2 3\ndirect\n0.609650 0.609650 0.177346 Tb\n0.390350 0.390350 0.822654 Tb\n0.842183 0.842183 0.325087 Mo\n0.157817 0.157817 0.674913 Mo\n0.751161 0.751161 0.732329 C\n0.248839 0.248839 0.267671 C\n0.000000 0.000000 0.000000 C\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Tb",
"Mo",
"C"
],
"chemical_system": "C-Mo-Tb",
"density": 8.59236248160672,
"density_atomic": 0.06636782763526983,
"volume": 105.47279079961919,
"volume_molar": 9.073885607790569,
"formula_full": "Tb2 Mo2 C3",
"formula_reduced": "Tb2Mo2C3",
"formula_anonymous": "A2B2C3",
"energy": -60.98975936,
"energy_per_atom": -8.712822765714286,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -60.98975936,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0050117,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:22.347000Z",
"spacegroup": 12
},
{
"id": "mp-1217713",
"created_at": "2022-09-04T14:39:44.630569Z",
"structure_string": "Tb4 Mn2 Sb2 O14\n1.0\n-3.574052 3.742983 5.198802\n3.574052 -3.742983 5.198802\n3.574052 3.742983 -5.198802\nTb Mn Sb O\n4 2 2 14\ndirect\n0.000000 0.500000 0.000000 Tb\n0.000000 0.000000 0.500000 Tb\n0.000000 0.500000 0.500000 Tb\n0.500000 0.500000 0.000000 Tb\n0.500000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 Mn\n0.500000 0.000000 0.500000 Sb\n0.000000 0.000000 0.000000 Sb\n0.873041 0.623041 0.250000 O\n0.126959 0.376959 0.750000 O\n0.827935 0.077935 0.750000 O\n0.418679 0.668679 0.750000 O\n0.841943 0.666878 0.760284 O\n0.406594 0.081659 0.739716 O\n0.841943 0.081659 0.175065 O\n0.406594 0.666878 0.324935 O\n0.172065 0.922065 0.250000 O\n0.581321 0.331321 0.250000 O\n0.158057 0.333122 0.239716 O\n0.593406 0.918341 0.260284 O\n0.158057 0.918341 0.824935 O\n0.593406 0.333122 0.675065 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Tb",
"Mn",
"Sb",
"O"
],
"chemical_system": "Mn-O-Sb-Tb",
"density": 7.241020952618524,
"density_atomic": 0.079082554739046,
"volume": 278.1903047087296,
"volume_molar": 7.615005331923912,
"formula_full": "Tb4 Mn2 Sb2 O14",
"formula_reduced": "Tb2MnSbO7",
"formula_anonymous": "ABC2D7",
"energy": -179.31732763,
"energy_per_atom": -8.150787619545454,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -166.36332763,
"band_gap": 0.4295999999999997,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 8.0094752,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:27.264000Z",
"spacegroup": 74
},
{
"id": "mp-1217708",
"created_at": "2022-09-04T14:42:47.842953Z",
"structure_string": "Tb4 Mn2 S8\n1.0\n1.905121 -6.189223 0.000000\n1.905121 6.189223 0.000000\n0.000000 0.000000 12.909250\nTb Mn S\n4 2 8\ndirect\n0.380909 0.619091 0.784212 Tb\n0.619091 0.380909 0.284212 Tb\n0.137225 0.862775 0.581796 Tb\n0.862775 0.137225 0.081796 Tb\n0.126172 0.873828 0.945447 Mn\n0.873828 0.126172 0.445447 Mn\n0.791293 0.208707 0.634413 S\n0.208707 0.791293 0.134413 S\n0.490928 0.509072 0.996293 S\n0.509072 0.490928 0.496293 S\n0.759534 0.240466 0.895235 S\n0.240466 0.759534 0.395235 S\n0.038851 0.961149 0.770605 S\n0.961149 0.038851 0.270605 S\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Tb",
"Mn",
"S"
],
"chemical_system": "Mn-S-Tb",
"density": 5.465996757315114,
"density_atomic": 0.04598734463318816,
"volume": 304.4315802895146,
"volume_molar": 13.09521305923356,
"formula_full": "Tb4 Mn2 S8",
"formula_reduced": "Tb2MnS4",
"formula_anonymous": "AB2C4",
"energy": -96.4778794,
"energy_per_atom": -6.891277100000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -92.4538794,
"band_gap": 0.0441000000000002,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 10.0060483,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:54.595000Z",
"spacegroup": 36
},
{
"id": "mp-573037",
"created_at": "2022-09-04T14:47:27.703371Z",
"structure_string": "Tb4 Mn2 Ni2 O12\n1.0\n5.605733 0.000000 0.000000\n0.000000 5.293633 0.000000\n0.000000 5.245209 7.597722\nTb Mn Ni O\n4 2 2 12\ndirect\n0.570003 0.769758 0.748943 Tb\n0.929997 0.769758 0.248943 Tb\n0.070003 0.230242 0.751057 Tb\n0.429997 0.230242 0.251057 Tb\n0.500000 0.500000 0.500000 Mn\n0.000000 0.500000 0.000000 Mn\n0.000000 0.000000 0.500000 Ni\n0.500000 0.000000 0.000000 Ni\n0.707502 0.259082 0.056039 O\n0.965581 0.636966 0.757430 O\n0.792498 0.259082 0.556039 O\n0.534419 0.636966 0.257430 O\n0.292498 0.740918 0.943961 O\n0.465581 0.363034 0.742570 O\n0.311046 0.150981 0.551845 O\n0.207502 0.740918 0.443961 O\n0.188954 0.150981 0.051845 O\n0.034419 0.363034 0.242570 O\n0.688954 0.849019 0.448155 O\n0.811046 0.849019 0.948155 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Tb",
"Mn",
"Ni",
"O"
],
"chemical_system": "Mn-Ni-O-Tb",
"density": 7.76987901473646,
"density_atomic": 0.08870750398214425,
"volume": 225.46006935361137,
"volume_molar": 6.78876136703405,
"formula_full": "Tb4 Mn2 Ni2 O12",
"formula_reduced": "Tb2MnNiO6",
"formula_anonymous": "ABC2D6",
"energy": -164.81363769,
"energy_per_atom": -8.2406818845,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -148.15163769,
"band_gap": 1.1852999999999998,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 9.9993354,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:14.040000Z",
"spacegroup": 14
},
{
"id": "mp-1087513",
"created_at": "2022-09-04T14:43:21.664394Z",
"structure_string": "Tb2 Mn1 Ga6\n1.0\n0.000000 4.388759 4.388759\n4.388759 0.000000 4.388759\n4.388759 4.388759 0.000000\nTb Mn Ga\n2 1 6\ndirect\n0.750000 0.750000 0.750000 Tb\n0.250000 0.250000 0.250000 Tb\n0.500000 0.500000 0.500000 Mn\n0.781340 0.781340 0.218660 Ga\n0.218660 0.781340 0.218660 Ga\n0.781340 0.218660 0.218660 Ga\n0.218660 0.218660 0.781340 Ga\n0.781340 0.218660 0.781340 Ga\n0.218660 0.781340 0.781340 Ga\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Tb",
"Mn",
"Ga"
],
"chemical_system": "Ga-Mn-Tb",
"density": 7.7703390502007315,
"density_atomic": 0.053233781113624326,
"volume": 169.0655785053111,
"volume_molar": 11.31263012699793,
"formula_full": "Tb2 Mn1 Ga6",
"formula_reduced": "Tb2MnGa6",
"formula_anonymous": "AB2C6",
"energy": -41.35149791,
"energy_per_atom": -4.594610878888889,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -41.35149791,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.3044611,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:06.609000Z",
"spacegroup": 225
},
{
"id": "mp-1217727",
"created_at": "2022-09-04T14:44:41.277557Z",
"structure_string": "Tb4 Mn2 Cr2 O12\n1.0\n5.750384 0.000000 0.000000\n0.000000 5.381810 0.000000\n0.000000 5.306561 7.500178\nTb Mn Cr O\n4 2 2 12\ndirect\n0.571472 0.730712 0.750450 Tb\n0.071472 0.269288 0.749550 Tb\n0.428528 0.269288 0.249550 Tb\n0.928528 0.730712 0.250450 Tb\n0.500000 0.000000 0.000000 Mn\n0.000000 0.000000 0.500000 Mn\n0.500000 0.500000 0.500000 Cr\n0.000000 0.500000 0.000000 Cr\n0.813742 0.254028 0.942664 O\n0.313742 0.745972 0.557336 O\n0.195062 0.364890 0.446212 O\n0.695062 0.635110 0.053788 O\n0.186258 0.745972 0.057336 O\n0.686258 0.254028 0.442664 O\n0.804938 0.635110 0.553788 O\n0.304938 0.364890 0.946212 O\n0.960185 0.867392 0.744763 O\n0.460185 0.132608 0.755237 O\n0.039815 0.132608 0.255237 O\n0.539815 0.867392 0.244763 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Tb",
"Mn",
"Cr",
"O"
],
"chemical_system": "Cr-Mn-O-Tb",
"density": 7.451396092984714,
"density_atomic": 0.08616546117357829,
"volume": 232.1115645131925,
"volume_molar": 6.989042567611329,
"formula_full": "Tb4 Mn2 Cr2 O12",
"formula_reduced": "Tb2MnCrO6",
"formula_anonymous": "ABC2D6",
"energy": -177.61386493999998,
"energy_per_atom": -8.880693247,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -162.03586494,
"band_gap": 0.9641999999999996,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 14.0033869,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:41.061000Z",
"spacegroup": 14
},
{
"id": "mp-639228",
"created_at": "2022-09-04T14:40:29.408023Z",
"structure_string": "Tb8 Mn12 Si20\n1.0\n10.573674 0.000000 0.000000\n0.000000 10.573674 0.000000\n0.000000 0.000000 5.444905\nTb Mn Si\n8 12 20\ndirect\n0.075088 0.236401 0.000000 Tb\n0.575088 0.263599 0.500000 Tb\n0.736401 0.575088 0.500000 Tb\n0.924912 0.763599 0.000000 Tb\n0.424912 0.736401 0.500000 Tb\n0.236401 0.924912 0.000000 Tb\n0.763599 0.075088 0.000000 Tb\n0.263599 0.424912 0.500000 Tb\n0.878587 0.145945 0.500000 Mn\n0.621413 0.645945 0.000000 Mn\n0.378587 0.354055 0.000000 Mn\n0.145945 0.121413 0.500000 Mn\n0.645945 0.378587 0.000000 Mn\n0.500000 0.000000 0.750000 Mn\n0.354055 0.621413 0.000000 Mn\n0.854055 0.878587 0.500000 Mn\n0.121413 0.854055 0.500000 Mn\n0.500000 0.000000 0.250000 Mn\n0.000000 0.500000 0.250000 Mn\n0.000000 0.500000 0.750000 Mn\n0.000000 0.000000 0.737932 Si\n0.674625 0.825375 0.250000 Si\n0.476729 0.815461 0.000000 Si\n0.815461 0.523271 0.000000 Si\n0.315461 0.976729 0.500000 Si\n0.976729 0.684539 0.500000 Si\n0.184539 0.476729 0.000000 Si\n0.674625 0.825375 0.750000 Si\n0.174625 0.674625 0.250000 Si\n0.023271 0.315461 0.500000 Si\n0.500000 0.500000 0.762068 Si\n0.174625 0.674625 0.750000 Si\n0.325375 0.174625 0.750000 Si\n0.325375 0.174625 0.250000 Si\n0.500000 0.500000 0.237932 Si\n0.523271 0.184539 0.000000 Si\n0.825375 0.325375 0.750000 Si\n0.000000 0.000000 0.262068 Si\n0.684539 0.023271 0.500000 Si\n0.825375 0.325375 0.250000 Si\n",
"nsites": 40,
"nelements": 3,
"elements": [
"Tb",
"Mn",
"Si"
],
"chemical_system": "Mn-Si-Tb",
"density": 6.7985979339143165,
"density_atomic": 0.06570793996820055,
"volume": 608.7544369730364,
"volume_molar": 9.165012269315435,
"formula_full": "Tb8 Mn12 Si20",
"formula_reduced": "Tb2Mn3Si5",
"formula_anonymous": "A2B3C5",
"energy": -279.06932533,
"energy_per_atom": -6.976733133250001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -280.48932533,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 11.9921265,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:50.600000Z",
"spacegroup": 128
},
{
"id": "mp-1217720",
"created_at": "2022-09-04T14:47:38.128250Z",
"structure_string": "Tb2 Mn3 Sb3 O14\n1.0\n3.684835 6.181509 0.000000\n-3.684835 6.181509 0.000000\n0.000000 4.084801 6.045937\nTb Mn Sb O\n2 3 3 14\ndirect\n0.500000 0.000000 0.000000 Tb\n0.000000 0.500000 0.000000 Tb\n0.500000 0.500000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.000000 0.000000 0.500000 Mn\n0.500000 0.500000 0.000000 Sb\n0.000000 0.500000 0.500000 Sb\n0.500000 0.000000 0.500000 Sb\n0.883337 0.883337 0.869802 O\n0.116663 0.116663 0.130198 O\n0.591227 0.591227 0.147978 O\n0.171632 0.171632 0.571997 O\n0.173148 0.571862 0.587001 O\n0.579572 0.170820 0.174441 O\n0.170820 0.579572 0.174441 O\n0.571862 0.173148 0.587001 O\n0.408773 0.408773 0.852022 O\n0.828368 0.828368 0.428003 O\n0.826852 0.428138 0.412999 O\n0.420428 0.829180 0.825559 O\n0.829180 0.420428 0.825559 O\n0.428138 0.826852 0.412999 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Tb",
"Mn",
"Sb",
"O"
],
"chemical_system": "Mn-O-Sb-Tb",
"density": 6.462669779899479,
"density_atomic": 0.07987603821814815,
"volume": 275.4267799301232,
"volume_molar": 7.539358353694293,
"formula_full": "Tb2 Mn3 Sb3 O14",
"formula_reduced": "Tb2Mn3Sb3O14",
"formula_anonymous": "A2B3C3D14",
"energy": -170.07608531,
"energy_per_atom": -7.730731150454545,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -155.45408531,
"band_gap": 1.2811999999999992,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.0042816,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:14.387000Z",
"spacegroup": 12
},
{
"id": "mp-1191830",
"created_at": "2022-09-04T14:46:30.349712Z",
"structure_string": "Tb2 Mn3 Cu9 P7\n1.0\n3.752298 0.000000 0.000000\n0.000000 9.433321 0.000000\n0.000000 4.660083 8.203518\nTb Mn Cu P\n2 3 9 7\ndirect\n0.000000 0.334614 0.330321 Tb\n0.500000 0.665385 0.670721 Tb\n0.500000 0.872792 0.919792 Mn\n0.500000 0.913742 0.212355 Mn\n0.500000 0.218285 0.863499 Mn\n0.000000 0.615482 0.953753 Cu\n0.000000 0.952432 0.434017 Cu\n0.000000 0.433854 0.616289 Cu\n0.000000 0.120987 0.714140 Cu\n0.000000 0.719722 0.165649 Cu\n0.000000 0.158815 0.115097 Cu\n0.500000 0.037558 0.576069 Cu\n0.500000 0.574264 0.386430 Cu\n0.500000 0.383150 0.042489 Cu\n0.000000 0.870284 0.722007 P\n0.000000 0.717145 0.414241 P\n0.000000 0.409190 0.873302 P\n0.500000 0.294692 0.581239 P\n0.500000 0.587789 0.121233 P\n0.500000 0.120284 0.292201 P\n0.000000 0.999533 0.995155 P\n",
"nsites": 21,
"nelements": 4,
"elements": [
"Tb",
"Mn",
"Cu",
"P"
],
"chemical_system": "Cu-Mn-P-Tb",
"density": 7.270555334754568,
"density_atomic": 0.07231980134511812,
"volume": 290.37690382728886,
"volume_molar": 8.327098039528172,
"formula_full": "Tb2 Mn3 Cu9 P7",
"formula_reduced": "Tb2Mn3Cu9P7",
"formula_anonymous": "A2B3C7D9",
"energy": -120.39360485,
"energy_per_atom": -5.733028802380953,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -120.39360485,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 10.0590771,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:29.264000Z",
"spacegroup": 6
}
]
}