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_molar&page=122",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-volume_molar&page=120",
"results": [
{
"id": "mp-1096656",
"created_at": "2022-09-04T14:46:20.078153Z",
"structure_string": "Ta2 Cr1 Re1\n1.0\n-4.940744 5.639850 7.785329\n4.940744 -5.639850 7.785329\n4.940744 5.639850 -7.785329\nTa Cr Re\n2 1 1\ndirect\n0.000000 0.267370 0.267370 Ta\n0.000000 0.732630 0.732630 Ta\n0.000000 0.000000 0.000000 Cr\n0.000000 0.500000 0.500000 Re\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ta",
"Cr",
"Re"
],
"chemical_system": "Cr-Re-Ta",
"density": 1.1483520033767785,
"density_atomic": 0.004609598764278816,
"volume": 867.7544846196197,
"volume_molar": 130.64349128751513,
"formula_full": "Ta2 Cr1 Re1",
"formula_reduced": "Ta2CrRe",
"formula_anonymous": "ABC2",
"energy": -27.3070905,
"energy_per_atom": -6.826772625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -27.3070905,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9486273,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:23.550000Z",
"spacegroup": 71
},
{
"id": "mp-1093669",
"created_at": "2022-09-04T14:44:10.676298Z",
"structure_string": "Zr2 Fe1 Pt1\n1.0\n-4.763519 5.659004 8.039021\n4.763519 -5.659004 8.039021\n4.763519 5.659004 -8.039021\nZr Fe Pt\n2 1 1\ndirect\n0.000000 0.233295 0.233295 Zr\n0.000000 0.766705 0.766705 Zr\n0.000000 0.000000 0.000000 Fe\n0.000000 0.500000 0.500000 Pt\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Zr",
"Fe",
"Pt"
],
"chemical_system": "Fe-Pt-Zr",
"density": 0.8302022368271478,
"density_atomic": 0.0046145455168757855,
"volume": 866.8242593710821,
"volume_molar": 130.50344260288512,
"formula_full": "Zr2 Fe1 Pt1",
"formula_reduced": "Zr2FePt",
"formula_anonymous": "ABC2",
"energy": -20.65468986,
"energy_per_atom": -5.163672465,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -20.65468986,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9977035,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:31.113000Z",
"spacegroup": 71
},
{
"id": "mp-1097252",
"created_at": "2022-09-04T14:39:41.959088Z",
"structure_string": "Mn1 Tc2 Sb1\n1.0\n-5.163738 5.433050 7.706332\n5.163738 -5.433050 7.706332\n5.163738 5.433050 -7.706332\nMn Tc Sb\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Mn\n0.000000 0.256418 0.256418 Tc\n0.000000 0.743582 0.743582 Tc\n0.000000 0.500000 0.500000 Sb\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mn",
"Tc",
"Sb"
],
"chemical_system": "Mn-Sb-Tc",
"density": 0.7156334055561344,
"density_atomic": 0.004625347688428608,
"volume": 864.7998527779735,
"volume_molar": 130.1986610664058,
"formula_full": "Mn1 Tc2 Sb1",
"formula_reduced": "MnTc2Sb",
"formula_anonymous": "ABC2",
"energy": -21.08798179,
"energy_per_atom": -5.2719954475,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -20.89598179,
"band_gap": 0.0179,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 10.121634,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:30.735000Z",
"spacegroup": 71
},
{
"id": "mp-1097382",
"created_at": "2022-09-04T14:47:58.758633Z",
"structure_string": "Zr2 Mo1 Pd1\n1.0\n-4.721904 5.657555 8.091062\n4.721904 -5.657555 8.091062\n4.721904 5.657555 -8.091062\nZr Mo Pd\n2 1 1\ndirect\n0.000000 0.236791 0.236791 Zr\n0.000000 0.763209 0.763209 Zr\n0.000000 0.000000 0.000000 Mo\n0.000000 0.500000 0.500000 Pd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Zr",
"Mo",
"Pd"
],
"chemical_system": "Mo-Pd-Zr",
"density": 0.7390634608553559,
"density_atomic": 0.004626457031435713,
"volume": 864.5924889869113,
"volume_molar": 130.16744171794826,
"formula_full": "Zr2 Mo1 Pd1",
"formula_reduced": "Zr2MoPd",
"formula_anonymous": "ABC2",
"energy": -20.45210855,
"energy_per_atom": -5.1130271375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -20.45210855,
"band_gap": 0.1504000000000003,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0100819,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:24.691000Z",
"spacegroup": 71
},
{
"id": "mp-1095831",
"created_at": "2022-09-04T14:42:27.992218Z",
"structure_string": "In1 Cu1 Au2\n1.0\n-5.111807 5.473215 7.724137\n5.111807 -5.473215 7.724137\n5.111807 5.473215 -7.724137\nIn Cu Au\n1 1 2\ndirect\n0.000000 0.500000 0.500000 In\n0.000000 0.000000 0.000000 Cu\n0.000000 0.238956 0.238956 Au\n0.000000 0.761044 0.761044 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"In",
"Cu",
"Au"
],
"chemical_system": "Au-Cu-In",
"density": 1.099369680058717,
"density_atomic": 0.004627357729597929,
"volume": 864.4241992389811,
"volume_molar": 130.14210510418573,
"formula_full": "In1 Cu1 Au2",
"formula_reduced": "InCuAu2",
"formula_anonymous": "ABC2",
"energy": -9.37929503,
"energy_per_atom": -2.3448237575,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -9.37929503,
"band_gap": 1.3736000000000002,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 6.41e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:45.578000Z",
"spacegroup": 71
},
{
"id": "mp-1093556",
"created_at": "2022-09-04T14:43:58.942734Z",
"structure_string": "Hf1 Ga1 Pd2\n1.0\n-4.838379 5.618665 7.946805\n4.838379 -5.618665 7.946805\n4.838379 5.618665 -7.946805\nHf Ga Pd\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Hf\n0.000000 0.000000 0.000000 Ga\n0.000000 0.259084 0.259084 Pd\n0.000000 0.740916 0.740916 Pd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Hf",
"Ga",
"Pd"
],
"chemical_system": "Ga-Hf-Pd",
"density": 0.8859605385278712,
"density_atomic": 0.004628863989748716,
"volume": 864.1429104114043,
"volume_molar": 130.09975608133865,
"formula_full": "Hf1 Ga1 Pd2",
"formula_reduced": "HfGaPd2",
"formula_anonymous": "ABC2",
"energy": -16.31139392,
"energy_per_atom": -4.07784848,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -16.31139392,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.000109,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:23.067000Z",
"spacegroup": 71
},
{
"id": "mp-1080294",
"created_at": "2022-09-04T14:45:05.254564Z",
"structure_string": "Ce1 Se2\n1.0\n4.116818 0.000000 0.000000\n0.000000 5.545151 0.000000\n0.000000 0.000000 28.387017\nCe Se\n1 2\ndirect\n0.000000 0.500000 0.500000 Ce\n0.500000 0.500000 0.435215 Se\n0.500000 0.500000 0.564785 Se\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Ce",
"Se"
],
"chemical_system": "Ce-Se",
"density": 0.7637004050988495,
"density_atomic": 0.004629418599998304,
"volume": 648.0295387418842,
"volume_molar": 130.08416996471664,
"formula_full": "Ce1 Se2",
"formula_reduced": "CeSe2",
"formula_anonymous": "AB2",
"energy": -16.66659711,
"energy_per_atom": -5.555532370000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.72259711,
"band_gap": 0.7343999999999999,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 6.35e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:49.573000Z",
"spacegroup": 47
},
{
"id": "mp-1097411",
"created_at": "2022-09-04T14:43:34.127954Z",
"structure_string": "Ga1 Sn1 Ru2\n1.0\n-4.986511 5.526028 7.832858\n4.986511 -5.526028 7.832858\n4.986511 5.526028 -7.832858\nGa Sn Ru\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ga\n0.000000 0.500000 0.500000 Sn\n0.000000 0.246131 0.246131 Ru\n0.000000 0.753869 0.753869 Ru\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ga",
"Sn",
"Ru"
],
"chemical_system": "Ga-Ru-Sn",
"density": 0.7512097357034585,
"density_atomic": 0.0046330809044680355,
"volume": 863.3563890806424,
"volume_molar": 129.98134252722392,
"formula_full": "Ga1 Sn1 Ru2",
"formula_reduced": "GaSnRu2",
"formula_anonymous": "ABC2",
"energy": -15.18011943,
"energy_per_atom": -3.7950298575,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.18011943,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.2398016,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:14.765000Z",
"spacegroup": 71
},
{
"id": "mp-1096681",
"created_at": "2022-09-04T14:46:20.912388Z",
"structure_string": "Cd1 Sb1 Rh2\n1.0\n-5.134021 5.428849 7.743852\n5.134021 -5.428849 7.743852\n5.134021 5.428849 -7.743852\nCd Sb Rh\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Cd\n0.000000 0.500000 0.500000 Sb\n0.000000 0.268943 0.268943 Rh\n0.000000 0.731057 0.731057 Rh\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Cd",
"Sb",
"Rh"
],
"chemical_system": "Cd-Rh-Sb",
"density": 0.8462556252163537,
"density_atomic": 0.004633162716434627,
"volume": 863.3411440119102,
"volume_molar": 129.97904732847886,
"formula_full": "Cd1 Sb1 Rh2",
"formula_reduced": "CdSbRh2",
"formula_anonymous": "ABC2",
"energy": -12.02648318,
"energy_per_atom": -3.006620795,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -12.02648318,
"band_gap": 0.0660000000000002,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.0000467,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:22.893000Z",
"spacegroup": 71
},
{
"id": "mp-1095793",
"created_at": "2022-09-04T14:47:41.461237Z",
"structure_string": "Zn1 Cd1 Rh2\n1.0\n-5.077014 5.501170 7.721571\n5.077014 -5.501170 7.721571\n5.077014 5.501170 -7.721571\nZn Cd Rh\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Zn\n0.000000 0.500000 0.500000 Cd\n0.000000 0.238777 0.238777 Rh\n0.000000 0.761223 0.761223 Rh\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Zn",
"Cd",
"Rh"
],
"chemical_system": "Cd-Rh-Zn",
"density": 0.7384714401159302,
"density_atomic": 0.004636933888194534,
"volume": 862.638997330511,
"volume_molar": 129.87333667474002,
"formula_full": "Zn1 Cd1 Rh2",
"formula_reduced": "ZnCdRh2",
"formula_anonymous": "ABC2",
"energy": -8.42989566,
"energy_per_atom": -2.107473915,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -8.42989566,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.3162239,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:20.112000Z",
"spacegroup": 71
},
{
"id": "mp-1097629",
"created_at": "2022-09-04T14:46:16.029992Z",
"structure_string": "Zr1 Ta1 Os2\n1.0\n-4.728108 5.593876 8.150030\n4.728108 -5.593876 8.150030\n4.728108 5.593876 -8.150030\nZr Ta Os\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Zr\n0.000000 0.500000 0.500000 Ta\n0.000000 0.256061 0.256061 Os\n0.000000 0.743939 0.743939 Os\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Zr",
"Ta",
"Os"
],
"chemical_system": "Os-Ta-Zr",
"density": 1.256891994300372,
"density_atomic": 0.004639173012761623,
"volume": 862.2226394654047,
"volume_molar": 129.81065253298496,
"formula_full": "Zr1 Ta1 Os2",
"formula_reduced": "ZrTaOs2",
"formula_anonymous": "ABC2",
"energy": -26.60502533,
"energy_per_atom": -6.6512563325,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -26.60502533,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.1851615,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:29.284000Z",
"spacegroup": 71
},
{
"id": "mp-1097120",
"created_at": "2022-09-04T14:39:42.480249Z",
"structure_string": "Li1 Si1 Ag2\n1.0\n-5.092427 5.473000 7.732831\n5.092427 -5.473000 7.732831\n5.092427 5.473000 -7.732831\nLi Si Ag\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.500000 Si\n0.000000 0.263657 0.263657 Ag\n0.000000 0.736343 0.736343 Ag\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Si",
"Ag"
],
"chemical_system": "Ag-Li-Si",
"density": 0.4830183285505791,
"density_atomic": 0.004639927780699194,
"volume": 862.0823834023635,
"volume_molar": 129.789536489133,
"formula_full": "Li1 Si1 Ag2",
"formula_reduced": "LiSiAg2",
"formula_anonymous": "ABC2",
"energy": -6.89585839,
"energy_per_atom": -1.7239645975,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.96685839,
"band_gap": 0.6611000000000002,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 1.7082616,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:33.124000Z",
"spacegroup": 71
}
]
}