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=-density&page=12142",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-density&page=12140",
"results": [
{
"id": "mp-1206519",
"created_at": "2022-09-04T14:45:20.237847Z",
"structure_string": "Hf2 Sb3\n1.0\n8.826732 0.000000 0.000000\n0.000000 8.826732 0.000000\n0.000000 0.000000 34.718055\nHf Sb\n2 3\ndirect\n0.500000 0.500000 0.284765 Hf\n0.500000 0.500000 0.715235 Hf\n0.500000 0.500000 0.642741 Sb\n0.500000 0.500000 0.357259 Sb\n0.500000 0.500000 0.000000 Sb\n",
"nsites": 5,
"nelements": 2,
"elements": [
"Hf",
"Sb"
],
"chemical_system": "Hf-Sb",
"density": 0.44339153035601325,
"density_atomic": 0.001848479916178715,
"volume": 2704.9252503301686,
"volume_molar": 325.7888120553302,
"formula_full": "Hf2 Sb3",
"formula_reduced": "Hf2Sb3",
"formula_anonymous": "A2B3",
"energy": -18.17216956,
"energy_per_atom": -3.634433912,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -17.59616956,
"band_gap": 0.1916999999999999,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.9860698,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:03.477000Z",
"spacegroup": 123
},
{
"id": "mp-1096756",
"created_at": "2022-09-04T14:43:15.890605Z",
"structure_string": "Al1 Si1 Ni2\n1.0\n-4.451736 5.068156 7.159908\n4.451736 -5.068156 7.159908\n4.451736 5.068156 -7.159908\nAl Si Ni\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Al\n0.000000 0.500000 0.500000 Si\n0.000000 0.266587 0.266587 Ni\n0.000000 0.733413 0.733413 Ni\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Al",
"Si",
"Ni"
],
"chemical_system": "Al-Ni-Si",
"density": 0.44317489865510706,
"density_atomic": 0.006190321174844736,
"volume": 646.1700268888434,
"volume_molar": 97.28317142043998,
"formula_full": "Al1 Si1 Ni2",
"formula_reduced": "AlSiNi2",
"formula_anonymous": "ABC2",
"energy": -12.91212663,
"energy_per_atom": -3.2280316575,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -12.91212663,
"band_gap": 0.2884000000000002,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.2936145,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:12.559000Z",
"spacegroup": 71
},
{
"id": "mp-1093672",
"created_at": "2022-09-04T14:39:16.487110Z",
"structure_string": "Ba2 Cd1 In1\n1.0\n-6.792592 7.120712 9.734589\n6.792592 -7.120712 9.734589\n6.792592 7.120712 -9.734589\nBa Cd In\n2 1 1\ndirect\n0.736881 0.000000 0.736881 Ba\n0.263119 0.000000 0.263119 Ba\n0.000000 0.000000 0.000000 Cd\n0.500000 0.000000 0.500000 In\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Cd",
"In"
],
"chemical_system": "Ba-Cd-In",
"density": 0.4425017791386481,
"density_atomic": 0.002123847989626484,
"volume": 1883.3739606305207,
"volume_molar": 283.5485773658924,
"formula_full": "Ba2 Cd1 In1",
"formula_reduced": "Ba2CdIn",
"formula_anonymous": "ABC2",
"energy": -3.18488725,
"energy_per_atom": -0.7962218125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.18488725,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.3096606,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:38.551000Z",
"spacegroup": 71
},
{
"id": "mp-1096042",
"created_at": "2022-09-04T14:47:58.841279Z",
"structure_string": "Mn1 Al2 Tc1\n1.0\n-5.062616 5.212184 7.356616\n5.062616 -5.212184 7.356616\n5.062616 5.212184 -7.356616\nMn Al Tc\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Mn\n0.000000 0.257993 0.257993 Al\n0.000000 0.742007 0.742007 Al\n0.000000 0.500000 0.500000 Tc\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mn",
"Al",
"Tc"
],
"chemical_system": "Al-Mn-Tc",
"density": 0.44246522027352503,
"density_atomic": 0.005151422690180843,
"volume": 776.4845248720171,
"volume_molar": 116.90247766852521,
"formula_full": "Mn1 Al2 Tc1",
"formula_reduced": "MnAl2Tc",
"formula_anonymous": "ABC2",
"energy": -16.32809552,
"energy_per_atom": -4.08202388,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -16.32809552,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 7.2822843,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:26.191000Z",
"spacegroup": 71
},
{
"id": "mp-1207317",
"created_at": "2022-09-04T14:45:18.714773Z",
"structure_string": "U2 P3\n1.0\n8.250859 0.000000 0.000000\n0.000000 8.250859 0.000000\n0.000000 0.000000 31.371657\nU P\n2 3\ndirect\n0.500000 0.500000 0.284012 U\n0.500000 0.500000 0.715988 U\n0.500000 0.500000 0.641843 P\n0.500000 0.500000 0.358157 P\n0.500000 0.500000 0.000000 P\n",
"nsites": 5,
"nelements": 2,
"elements": [
"U",
"P"
],
"chemical_system": "P-U",
"density": 0.44239440632105526,
"density_atomic": 0.002341176819261537,
"volume": 2135.6780738915395,
"volume_molar": 257.22707958041065,
"formula_full": "U2 P3",
"formula_reduced": "U2P3",
"formula_anonymous": "A2B3",
"energy": -22.87982689,
"energy_per_atom": -4.575965378,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -22.87982689,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.7260956,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:02.068000Z",
"spacegroup": 123
},
{
"id": "mp-1215079",
"created_at": "2022-09-04T14:48:31.118781Z",
"structure_string": "Al2 N8 F24\n1.0\n0.000000 10.530466 10.530466\n10.530466 0.000000 10.530466\n10.530466 10.530466 0.000000\nAl N F\n2 8 24\ndirect\n0.000000 0.000000 0.000000 Al\n0.250000 0.250000 0.250000 Al\n0.374105 0.374105 0.374105 N\n0.374105 0.374105 0.877685 N\n0.374105 0.877685 0.374105 N\n0.875895 0.875895 0.372315 N\n0.875895 0.875895 0.875895 N\n0.877685 0.374105 0.374105 N\n0.875895 0.372315 0.875895 N\n0.372315 0.875895 0.875895 N\n0.929751 0.307630 0.307630 F\n0.307630 0.929751 0.454989 F\n0.307630 0.454989 0.929751 F\n0.307630 0.929751 0.307630 F\n0.320249 0.942370 0.795011 F\n0.320249 0.942370 0.942370 F\n0.454989 0.307630 0.307630 F\n0.454989 0.307630 0.929751 F\n0.942370 0.320249 0.942370 F\n0.942370 0.320249 0.795011 F\n0.929751 0.307630 0.454989 F\n0.942370 0.795011 0.942370 F\n0.942370 0.795011 0.320249 F\n0.307630 0.454989 0.307630 F\n0.795011 0.942370 0.320249 F\n0.795011 0.942370 0.942370 F\n0.307630 0.307630 0.929751 F\n0.454989 0.929751 0.307630 F\n0.307630 0.307630 0.454989 F\n0.929751 0.454989 0.307630 F\n0.795011 0.320249 0.942370 F\n0.942370 0.942370 0.320249 F\n0.320249 0.795011 0.942370 F\n0.942370 0.942370 0.795011 F\n",
"nsites": 34,
"nelements": 3,
"elements": [
"Al",
"N",
"F"
],
"chemical_system": "Al-F-N",
"density": 0.44223346299307065,
"density_atomic": 0.014558148686118651,
"volume": 2335.461790716519,
"volume_molar": 41.36611659793099,
"formula_full": "Al2 N8 F24",
"formula_reduced": "Al(NF3)4",
"formula_anonymous": "AB4C12",
"energy": -138.84638216,
"energy_per_atom": -4.083717122352941,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -127.75838216,
"band_gap": 0.0030000000000001,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.9970947,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:50.591000Z",
"spacegroup": 227
},
{
"id": "mp-1097501",
"created_at": "2022-09-04T14:39:13.697313Z",
"structure_string": "Na1 Cd2 Ag1\n1.0\n-5.851366 6.356006 8.977754\n5.851366 -6.356006 8.977754\n5.851366 6.356006 -8.977754\nNa Cd Ag\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Na\n0.000000 0.261983 0.261983 Cd\n0.000000 0.738017 0.738017 Cd\n0.000000 0.500000 0.500000 Ag\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Na",
"Cd",
"Ag"
],
"chemical_system": "Ag-Cd-Na",
"density": 0.4422208861550998,
"density_atomic": 0.0029949580008671126,
"volume": 1335.5779943631608,
"volume_molar": 201.07596695033604,
"formula_full": "Na1 Cd2 Ag1",
"formula_reduced": "NaCd2Ag",
"formula_anonymous": "ABC2",
"energy": -3.3574504,
"energy_per_atom": -0.8393626,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.3574504,
"band_gap": 0.6533000000000002,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:31.156000Z",
"spacegroup": 71
},
{
"id": "mp-1093927",
"created_at": "2022-09-04T14:44:30.345246Z",
"structure_string": "Ba1 Sr1 Ag2\n1.0\n-6.490749 6.706106 9.508083\n6.490749 -6.706106 9.508083\n6.490749 6.706106 -9.508083\nBa Sr Ag\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Ba\n0.000000 0.000000 0.000000 Sr\n0.000000 0.244612 0.244612 Ag\n0.000000 0.755388 0.755388 Ag\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Sr",
"Ag"
],
"chemical_system": "Ag-Ba-Sr",
"density": 0.4420359635359198,
"density_atomic": 0.0024162496652385523,
"volume": 1655.4580669150705,
"volume_molar": 249.23503753100132,
"formula_full": "Ba1 Sr1 Ag2",
"formula_reduced": "BaSrAg2",
"formula_anonymous": "ABC2",
"energy": -5.1995649,
"energy_per_atom": -1.299891225,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.1995649,
"band_gap": 0.1698999999999999,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 4.03e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:42.647000Z",
"spacegroup": 71
},
{
"id": "mp-1096482",
"created_at": "2022-09-04T14:43:41.193541Z",
"structure_string": "Li1 La2 Ge1\n1.0\n-6.147011 6.197339 8.820842\n6.147011 -6.197339 8.820842\n6.147011 6.197339 -8.820842\nLi La Ge\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.284776 0.000000 0.284776 La\n0.715224 0.000000 0.715224 La\n0.500000 0.000000 0.500000 Ge\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"La",
"Ge"
],
"chemical_system": "Ge-La-Li",
"density": 0.4415242624129279,
"density_atomic": 0.0029759163098358574,
"volume": 1344.12382054542,
"volume_molar": 202.36257115483747,
"formula_full": "Li1 La2 Ge1",
"formula_reduced": "LiLa2Ge",
"formula_anonymous": "ABC2",
"energy": -9.37433915,
"energy_per_atom": -2.3435847875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -9.37433915,
"band_gap": 0.0927,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.0026981,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:15.681000Z",
"spacegroup": 71
},
{
"id": "mp-1096182",
"created_at": "2022-09-04T14:44:19.181488Z",
"structure_string": "Ca2 Cd1 Au1\n1.0\n-6.292015 6.416382 9.090497\n6.292015 -6.416382 9.090497\n6.292015 6.416382 -9.090497\nCa Cd Au\n2 1 1\ndirect\n0.000000 0.269421 0.269421 Ca\n0.000000 0.730579 0.730579 Ca\n0.000000 0.000000 0.000000 Cd\n0.000000 0.500000 0.500000 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ca",
"Cd",
"Au"
],
"chemical_system": "Au-Ca-Cd",
"density": 0.44062223311839893,
"density_atomic": 0.002724786074333451,
"volume": 1468.0051537545005,
"volume_molar": 221.0133418078761,
"formula_full": "Ca2 Cd1 Au1",
"formula_reduced": "Ca2CdAu",
"formula_anonymous": "ABC2",
"energy": -4.84864762,
"energy_per_atom": -1.212161905,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.84864762,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0033334,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:35.994000Z",
"spacegroup": 71
},
{
"id": "mp-1097450",
"created_at": "2022-09-04T14:39:41.668201Z",
"structure_string": "Mg1 Sc1 Ni2\n1.0\n-4.677170 5.158189 7.290178\n4.677170 -5.158189 7.290178\n4.677170 5.158189 -7.290178\nMg Sc Ni\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Mg\n0.000000 0.500000 0.500000 Sc\n0.000000 0.274804 0.274804 Ni\n0.000000 0.725196 0.725196 Ni\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mg",
"Sc",
"Ni"
],
"chemical_system": "Mg-Ni-Sc",
"density": 0.44054800403399724,
"density_atomic": 0.005685667537669283,
"volume": 703.5233723215047,
"volume_molar": 105.91791940174973,
"formula_full": "Mg1 Sc1 Ni2",
"formula_reduced": "MgScNi2",
"formula_anonymous": "ABC2",
"energy": -12.37590993,
"energy_per_atom": -3.0939774825,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -12.37590993,
"band_gap": 0.4196999999999999,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0010476,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:33.962000Z",
"spacegroup": 71
},
{
"id": "mp-1097365",
"created_at": "2022-09-04T14:41:20.218240Z",
"structure_string": "Ba2 Zn1 Ag1\n1.0\n-6.564502 6.818154 9.432126\n6.564502 -6.818154 9.432126\n6.564502 6.818154 -9.432126\nBa Zn Ag\n2 1 1\ndirect\n0.742007 0.000000 0.742007 Ba\n0.257993 0.000000 0.257993 Ba\n0.000000 0.000000 0.000000 Zn\n0.500000 0.000000 0.500000 Ag\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Zn",
"Ag"
],
"chemical_system": "Ag-Ba-Zn",
"density": 0.440475984388458,
"density_atomic": 0.0023687641140456763,
"volume": 1688.6442918827793,
"volume_molar": 254.2313404822156,
"formula_full": "Ba2 Zn1 Ag1",
"formula_reduced": "Ba2ZnAg",
"formula_anonymous": "ABC2",
"energy": -3.26761951,
"energy_per_atom": -0.8169048775,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.26761951,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.9997972,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:16.983000Z",
"spacegroup": 71
}
]
}