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=-volume&page=11505",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-volume&page=11503",
"results": [
{
"id": "mp-8566",
"created_at": "2022-09-04T14:42:04.924127Z",
"structure_string": "Ag4\n1.0\n1.475603 -2.555819 0.000000\n1.475603 2.555819 0.000000\n0.000000 0.000000 9.585754\nAg\n4\ndirect\n0.000000 0.000000 0.000000 Ag\n0.000000 0.000000 0.500000 Ag\n0.333333 0.666667 0.250000 Ag\n0.666667 0.333333 0.750000 Ag\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Ag"
],
"chemical_system": "Ag",
"density": 9.90938316383208,
"density_atomic": 0.05532279233174705,
"volume": 72.30293033680795,
"volume_molar": 10.88546059621829,
"formula_full": "Ag4",
"formula_reduced": "Ag",
"formula_anonymous": "A",
"energy": -11.30131807,
"energy_per_atom": -2.8253295175,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -11.30131807,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 5.1e-06,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:35.746000Z",
"spacegroup": 194
},
{
"id": "mp-1385829",
"created_at": "2022-09-04T14:40:39.130466Z",
"structure_string": "Ca1 Mn2 N2\n1.0\n3.266582 0.000000 0.000000\n0.000000 3.266582 0.000000\n0.000000 0.000000 6.775199\nCa Mn N\n1 2 2\ndirect\n0.500000 0.500000 0.000000 Ca\n0.000000 0.000000 0.647886 Mn\n0.000000 0.000000 0.352114 Mn\n0.000000 0.500000 0.244115 N\n0.500000 0.000000 0.755885 N\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ca",
"Mn",
"N"
],
"chemical_system": "Ca-Mn-N",
"density": 4.087714803228663,
"density_atomic": 0.06916092916825918,
"volume": 72.29515363848968,
"volume_molar": 8.70743182953622,
"formula_full": "Ca1 Mn2 N2",
"formula_reduced": "Ca(MnN)2",
"formula_anonymous": "AB2C2",
"energy": -38.27116817,
"energy_per_atom": -7.654233634000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -37.54916817,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 3.24e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:02.134000Z",
"spacegroup": 115
},
{
"id": "mp-631394",
"created_at": "2022-09-04T14:43:05.394102Z",
"structure_string": "Ca1 Zr1 Pd1\n1.0\n0.000000 3.306400 3.306400\n3.306400 0.000000 3.306400\n3.306400 3.306400 0.000000\nCa Zr Pd\n1 1 1\ndirect\n0.750000 0.750000 0.750000 Ca\n0.500000 0.500000 0.500000 Zr\n0.000000 0.000000 0.000000 Pd\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ca",
"Zr",
"Pd"
],
"chemical_system": "Ca-Pd-Zr",
"density": 5.460372872458491,
"density_atomic": 0.0414978008573808,
"volume": 72.292987532288,
"volume_molar": 14.511951562678778,
"formula_full": "Ca1 Zr1 Pd1",
"formula_reduced": "CaZrPd",
"formula_anonymous": "ABC",
"energy": -13.44155403,
"energy_per_atom": -4.48051801,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -13.44155403,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0030393,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:58.126000Z",
"spacegroup": 216
},
{
"id": "mp-1206234",
"created_at": "2022-09-04T14:40:31.017676Z",
"structure_string": "Sc2 O4\n1.0\n3.286379 0.000000 0.000000\n0.000000 4.367493 0.000000\n0.000000 0.000000 5.035962\nSc O\n2 4\ndirect\n0.000000 0.000000 0.500000 Sc\n0.500000 0.500000 0.000000 Sc\n0.000000 0.771966 0.869110 O\n0.500000 0.728034 0.369110 O\n0.000000 0.228034 0.130890 O\n0.500000 0.271966 0.630890 O\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Sc",
"O"
],
"chemical_system": "O-Sc",
"density": 3.53575367600367,
"density_atomic": 0.08300780725528493,
"volume": 72.28235750822093,
"volume_molar": 7.2549088563191555,
"formula_full": "Sc2 O4",
"formula_reduced": "ScO2",
"formula_anonymous": "AB2",
"energy": -50.65427608,
"energy_per_atom": -8.442379346666668,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -47.90627608,
"band_gap": 0.2983999999999998,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9995501,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:51.649000Z",
"spacegroup": 58
},
{
"id": "mp-632927",
"created_at": "2022-09-04T14:40:22.001183Z",
"structure_string": "Ca1 U1 O4\n1.0\n2.126035 3.059293 0.000000\n-2.126035 3.059293 0.000000\n0.000000 2.756994 5.556581\nCa U O\n1 1 4\ndirect\n0.000000 0.000000 0.500000 Ca\n0.000000 0.000000 0.000000 U\n0.249731 0.249731 0.661947 O\n0.750269 0.750269 0.338053 O\n0.725769 0.725769 0.897605 O\n0.274231 0.274231 0.102395 O\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ca",
"U",
"O"
],
"chemical_system": "Ca-O-U",
"density": 7.8592077483251,
"density_atomic": 0.08300841518666748,
"volume": 72.28182813160971,
"volume_molar": 7.254855723311358,
"formula_full": "Ca1 U1 O4",
"formula_reduced": "CaUO4",
"formula_anonymous": "ABC4",
"energy": -53.48791629,
"energy_per_atom": -8.914652715,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -50.73991629,
"band_gap": 1.7785000000000002,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1e-07,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:05.423000Z",
"spacegroup": 12
},
{
"id": "mp-19839",
"created_at": "2022-09-04T14:41:55.277368Z",
"structure_string": "La1 Ga2\n1.0\n2.164450 -3.748937 0.000000\n2.164450 3.748937 0.000000\n0.000000 0.000000 4.453790\nLa Ga\n1 2\ndirect\n0.000000 0.000000 0.000000 La\n0.333333 0.666667 0.500000 Ga\n0.666667 0.333333 0.500000 Ga\n",
"nsites": 3,
"nelements": 2,
"elements": [
"La",
"Ga"
],
"chemical_system": "Ga-La",
"density": 6.394803221708668,
"density_atomic": 0.041505516547413385,
"volume": 72.27954858899255,
"volume_molar": 14.509253855739088,
"formula_full": "La1 Ga2",
"formula_reduced": "LaGa2",
"formula_anonymous": "AB2",
"energy": -13.10294252,
"energy_per_atom": -4.367647506666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -13.10294252,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0009804,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:31.609000Z",
"spacegroup": 191
},
{
"id": "mp-1019271",
"created_at": "2022-09-04T14:45:43.046816Z",
"structure_string": "Ta2 N4\n1.0\n2.729791 -4.728138 0.000000\n2.729791 4.728138 0.000000\n0.000000 0.000000 2.799952\nTa N\n2 4\ndirect\n0.666667 0.333333 0.500000 Ta\n0.333333 0.666667 0.500000 Ta\n0.000000 0.000000 0.000000 N\n0.500000 0.500000 0.000000 N\n0.500000 0.000000 0.000000 N\n0.000000 0.500000 0.000000 N\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ta",
"N"
],
"chemical_system": "N-Ta",
"density": 9.6016260952298,
"density_atomic": 0.08301395917513311,
"volume": 72.27700087574313,
"volume_molar": 7.254371216406139,
"formula_full": "Ta2 N4",
"formula_reduced": "TaN2",
"formula_anonymous": "AB2",
"energy": -58.02628480999999,
"energy_per_atom": -9.671047468333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -56.58228481,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.4383349,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:17.443000Z",
"spacegroup": 191
},
{
"id": "mp-7041",
"created_at": "2022-09-04T14:40:17.928279Z",
"structure_string": "Ca1 Hg1 O2\n1.0\n6.382131 -1.820488 0.000000\n6.382131 1.820488 0.000000\n5.862841 0.000000 3.110124\nCa Hg O\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ca\n0.000000 0.000000 0.000000 Hg\n0.893949 0.893949 0.893949 O\n0.106051 0.106051 0.106051 O\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ca",
"Hg",
"O"
],
"chemical_system": "Ca-Hg-O",
"density": 6.26498627133873,
"density_atomic": 0.055347595231260406,
"volume": 72.27052924859134,
"volume_molar": 10.880582498367854,
"formula_full": "Ca1 Hg1 O2",
"formula_reduced": "CaHgO2",
"formula_anonymous": "ABC2",
"energy": -20.58312932,
"energy_per_atom": -5.14578233,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -19.20912932,
"band_gap": 2.1724,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:50.035000Z",
"spacegroup": 166
},
{
"id": "mp-556891",
"created_at": "2022-09-04T14:47:05.735943Z",
"structure_string": "K1 Fe1 F3\n1.0\n4.165310 0.000000 0.000000\n0.000000 4.165310 0.000000\n0.000000 0.000000 4.165310\nK Fe F\n1 1 3\ndirect\n0.000000 0.000000 0.000000 K\n0.500000 0.500000 0.500000 Fe\n0.000000 0.500000 0.500000 F\n0.500000 0.000000 0.500000 F\n0.500000 0.500000 0.000000 F\n",
"nsites": 5,
"nelements": 3,
"elements": [
"K",
"Fe",
"F"
],
"chemical_system": "F-Fe-K",
"density": 3.4912019583547695,
"density_atomic": 0.06918756040656103,
"volume": 72.26732624504928,
"volume_molar": 8.70408021993058,
"formula_full": "K1 Fe1 F3",
"formula_reduced": "KFeF3",
"formula_anonymous": "ABC3",
"energy": -27.86217335,
"energy_per_atom": -5.57243467,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -24.22017335,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.0003698,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:56.099000Z",
"spacegroup": 221
},
{
"id": "mp-972966",
"created_at": "2022-09-04T14:43:17.831439Z",
"structure_string": "Sc2 Os1 Au1\n1.0\n0.000000 3.305963 3.305963\n3.305963 0.000000 3.305963\n3.305963 3.305963 0.000000\nSc Os Au\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Sc\n0.750000 0.750000 0.750000 Sc\n0.000000 0.000000 0.000000 Os\n0.500000 0.500000 0.500000 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sc",
"Os",
"Au"
],
"chemical_system": "Au-Os-Sc",
"density": 10.963322565714146,
"density_atomic": 0.0553523456551987,
"volume": 72.26432687996339,
"volume_molar": 10.879648709944778,
"formula_full": "Sc2 Os1 Au1",
"formula_reduced": "Sc2OsAu",
"formula_anonymous": "ABC2",
"energy": -29.52218939,
"energy_per_atom": -7.3805473475,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -29.52218939,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0023531,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:13.735000Z",
"spacegroup": 225
},
{
"id": "mp-865358",
"created_at": "2022-09-04T14:48:15.675625Z",
"structure_string": "Dy1 Sn1 Ru2\n1.0\n0.000000 3.305927 3.305927\n3.305927 0.000000 3.305927\n3.305927 3.305927 0.000000\nDy Sn Ru\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Dy\n0.500000 0.500000 0.500000 Sn\n0.750000 0.750000 0.750000 Ru\n0.250000 0.250000 0.250000 Ru\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Dy",
"Sn",
"Ru"
],
"chemical_system": "Dy-Ru-Sn",
"density": 11.107109320770059,
"density_atomic": 0.05535415395841568,
"volume": 72.26196615713727,
"volume_molar": 10.879293294815922,
"formula_full": "Dy1 Sn1 Ru2",
"formula_reduced": "DySnRu2",
"formula_anonymous": "ABC2",
"energy": -28.59527939,
"energy_per_atom": -7.1488198475,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -28.59527939,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.016504,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:44.629000Z",
"spacegroup": 225
},
{
"id": "mp-1184588",
"created_at": "2022-09-04T14:48:15.980984Z",
"structure_string": "Hf2 Mo1 Pt1\n1.0\n0.000000 3.305919 3.305919\n3.305919 0.000000 3.305919\n3.305919 3.305919 0.000000\nHf Mo Pt\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Hf\n0.750000 0.750000 0.750000 Hf\n0.500000 0.500000 0.500000 Mo\n0.000000 0.000000 0.000000 Pt\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Hf",
"Mo",
"Pt"
],
"chemical_system": "Hf-Mo-Pt",
"density": 14.89087311431237,
"density_atomic": 0.05535455581427177,
"volume": 72.26144155904692,
"volume_molar": 10.879214314727358,
"formula_full": "Hf2 Mo1 Pt1",
"formula_reduced": "Hf2MoPt",
"formula_anonymous": "ABC2",
"energy": -39.3671979,
"energy_per_atom": -9.841799475,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -39.3671979,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 2.78e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:48.745000Z",
"spacegroup": 225
}
]
}