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=22",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-volume_molar&page=20",
"results": [
{
"id": "mp-1095754",
"created_at": "2022-09-04T14:41:45.209904Z",
"structure_string": "Sr2 Li1 Cd1\n1.0\n-6.709643 7.236002 9.486992\n6.709643 -7.236002 9.486992\n6.709643 7.236002 -9.486992\nSr Li Cd\n2 1 1\ndirect\n0.250489 0.000000 0.250489 Sr\n0.749512 0.000000 0.749511 Sr\n0.000000 0.000000 0.000000 Li\n0.500000 0.000000 0.500000 Cd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sr",
"Li",
"Cd"
],
"chemical_system": "Cd-Li-Sr",
"density": 0.26551155679415317,
"density_atomic": 0.0021710677397535397,
"volume": 1842.4114212364839,
"volume_molar": 277.381522912944,
"formula_full": "Sr2 Li1 Cd1",
"formula_reduced": "Sr2LiCd",
"formula_anonymous": "ABC2",
"energy": -1.9306816,
"energy_per_atom": -0.4826704,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1.9306816,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0058047,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:25.089000Z",
"spacegroup": 71
},
{
"id": "mp-1093602",
"created_at": "2022-09-04T14:39:59.541302Z",
"structure_string": "Ba2 Zn1 Pb1\n1.0\n-6.276325 7.189133 10.167398\n6.276325 -7.189133 10.167398\n6.276325 7.189133 -10.167398\nBa Zn Pb\n2 1 1\ndirect\n0.000000 0.252126 0.252126 Ba\n0.000000 0.747874 0.747874 Ba\n0.000000 0.000000 0.000000 Zn\n0.000000 0.500000 0.500000 Pb\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Zn",
"Pb"
],
"chemical_system": "Ba-Pb-Zn",
"density": 0.49521458440537564,
"density_atomic": 0.002179757765260707,
"volume": 1835.066292112319,
"volume_molar": 276.2756878757916,
"formula_full": "Ba2 Zn1 Pb1",
"formula_reduced": "Ba2ZnPb",
"formula_anonymous": "ABC2",
"energy": -4.2695968,
"energy_per_atom": -1.0673992,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.2695968,
"band_gap": 0.1117999999999999,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 1.83e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:45.681000Z",
"spacegroup": 71
},
{
"id": "mp-1096526",
"created_at": "2022-09-04T14:46:37.215740Z",
"structure_string": "Cs1 Rb1 I2\n1.0\n-6.805289 7.001317 9.626026\n6.805289 -7.001317 9.626026\n6.805289 7.001317 -9.626026\nCs Rb I\n1 1 2\ndirect\n0.500000 0.000000 0.500000 Cs\n0.000000 0.000000 0.000000 Rb\n0.243408 0.000000 0.243408 I\n0.756592 0.000000 0.756592 I\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Cs",
"Rb",
"I"
],
"chemical_system": "Cs-I-Rb",
"density": 0.4273909923639106,
"density_atomic": 0.002180352212017429,
"volume": 1834.565983400862,
"volume_molar": 276.2003646386954,
"formula_full": "Cs1 Rb1 I2",
"formula_reduced": "CsRbI2",
"formula_anonymous": "ABC2",
"energy": -10.22389663,
"energy_per_atom": -2.5559741575,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -9.46589663,
"band_gap": 3.7251,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 5.36e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:42.462000Z",
"spacegroup": 71
},
{
"id": "mp-1096608",
"created_at": "2022-09-04T14:44:13.182627Z",
"structure_string": "Ba1 Sr1 Tl2\n1.0\n-6.228109 7.204033 10.201383\n6.228109 -7.204033 10.201383\n6.228109 7.204033 -10.201383\nBa Sr Tl\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Ba\n0.000000 0.000000 0.000000 Sr\n0.000000 0.247226 0.247226 Tl\n0.000000 0.752774 0.752774 Tl\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Sr",
"Tl"
],
"chemical_system": "Ba-Sr-Tl",
"density": 0.5747661491472121,
"density_atomic": 0.0021847867272811092,
"volume": 1830.8423197800457,
"volume_molar": 275.6397539770092,
"formula_full": "Ba1 Sr1 Tl2",
"formula_reduced": "BaSrTl2",
"formula_anonymous": "ABC2",
"energy": -3.79513794,
"energy_per_atom": -0.948784485,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.79513794,
"band_gap": 0.4237999999999999,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:30.482000Z",
"spacegroup": 71
},
{
"id": "mp-1096227",
"created_at": "2022-09-04T14:44:07.657597Z",
"structure_string": "Ca1 Cd2 In1\n1.0\n-6.171129 7.215129 10.273753\n6.171129 -7.215129 10.273753\n6.171129 7.215129 -10.273753\nCa Cd In\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Ca\n0.000000 0.262118 0.262118 Cd\n0.000000 0.737882 0.737882 Cd\n0.000000 0.500000 0.500000 In\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ca",
"Cd",
"In"
],
"chemical_system": "Ca-Cd-In",
"density": 0.3445977563086004,
"density_atomic": 0.002186060386695095,
"volume": 1829.7756202641935,
"volume_molar": 275.4791586111821,
"formula_full": "Ca1 Cd2 In1",
"formula_reduced": "CaCd2In",
"formula_anonymous": "ABC2",
"energy": -2.38388471,
"energy_per_atom": -0.5959711775,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -2.38388471,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.0484644,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:29.224000Z",
"spacegroup": 71
},
{
"id": "mp-1097195",
"created_at": "2022-09-04T14:39:06.463512Z",
"structure_string": "Sr1 Ca1 Cd2\n1.0\n-6.700021 7.196469 9.467469\n6.700021 -7.196469 9.467469\n6.700021 7.196469 -9.467469\nSr Ca Cd\n1 1 2\ndirect\n0.500000 0.000000 0.500000 Sr\n0.000000 0.000000 0.000000 Ca\n0.245277 0.000000 0.245277 Cd\n0.754723 0.000000 0.754723 Cd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sr",
"Ca",
"Cd"
],
"chemical_system": "Ca-Cd-Sr",
"density": 0.3205851143346066,
"density_atomic": 0.0021906373366060053,
"volume": 1825.9526271917166,
"volume_molar": 274.90359355100804,
"formula_full": "Sr1 Ca1 Cd2",
"formula_reduced": "SrCaCd2",
"formula_anonymous": "ABC2",
"energy": -1.39642433,
"energy_per_atom": -0.3491060825,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1.39642433,
"band_gap": 0.3840000000000001,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0081102,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:29.895000Z",
"spacegroup": 71
},
{
"id": "mp-1096664",
"created_at": "2022-09-04T14:46:26.910956Z",
"structure_string": "Sr2 Zn1 Pb1\n1.0\n-6.784940 6.896298 9.744662\n6.784940 -6.896298 9.744662\n6.784940 6.896298 -9.744662\nSr Zn Pb\n2 1 1\ndirect\n0.000000 0.254968 0.254968 Sr\n0.000000 0.745032 0.745032 Sr\n0.000000 0.000000 0.000000 Zn\n0.000000 0.500000 0.500000 Pb\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sr",
"Zn",
"Pb"
],
"chemical_system": "Pb-Sr-Zn",
"density": 0.40774806032006405,
"density_atomic": 0.0021931644056036475,
"volume": 1823.8486771806959,
"volume_molar": 274.5868364730488,
"formula_full": "Sr2 Zn1 Pb1",
"formula_reduced": "Sr2ZnPb",
"formula_anonymous": "ABC2",
"energy": -3.73261368,
"energy_per_atom": -0.93315342,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.73261368,
"band_gap": 0.1513999999999999,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 2.0000701,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:36.901000Z",
"spacegroup": 71
},
{
"id": "mp-1096164",
"created_at": "2022-09-04T14:47:13.417829Z",
"structure_string": "K1 Rb1 Hg2\n1.0\n-6.580816 7.442841 9.302626\n6.580816 -7.442841 9.302626\n6.580816 7.442841 -9.302626\nK Rb Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 K\n0.500000 0.000000 0.500000 Rb\n0.246586 0.000000 0.246586 Hg\n0.753414 0.000000 0.753414 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"K",
"Rb",
"Hg"
],
"chemical_system": "Hg-K-Rb",
"density": 0.47900617871118706,
"density_atomic": 0.0021947039714458024,
"volume": 1822.5692631179436,
"volume_molar": 274.39421618364327,
"formula_full": "K1 Rb1 Hg2",
"formula_reduced": "KRbHg2",
"formula_anonymous": "ABC2",
"energy": -1.45662428,
"energy_per_atom": -0.36415607,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1.45662428,
"band_gap": 0.1083999999999998,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 5.7e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:00.367000Z",
"spacegroup": 71
},
{
"id": "mp-1093734",
"created_at": "2022-09-04T14:42:14.199620Z",
"structure_string": "Sr2 Li1 Pb1\n1.0\n-6.752733 6.890438 9.769051\n6.752733 -6.890438 9.769051\n6.752733 6.890438 -9.769051\nSr Li Pb\n2 1 1\ndirect\n0.739434 0.000000 0.739434 Sr\n0.260566 0.000000 0.260566 Sr\n0.000000 0.000000 0.000000 Li\n0.500000 0.000000 0.500000 Pb\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sr",
"Li",
"Pb"
],
"chemical_system": "Li-Pb-Sr",
"density": 0.3556190994494182,
"density_atomic": 0.0021999925775206515,
"volume": 1818.1879524829676,
"volume_molar": 273.73459444971553,
"formula_full": "Sr2 Li1 Pb1",
"formula_reduced": "Sr2LiPb",
"formula_anonymous": "ABC2",
"energy": -4.58924092,
"energy_per_atom": -1.14731023,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.58924092,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9999237,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:36.552000Z",
"spacegroup": 71
},
{
"id": "mp-1093547",
"created_at": "2022-09-04T14:41:05.888961Z",
"structure_string": "Ba2 Ag1 Hg1\n1.0\n-6.749469 7.046744 9.541310\n6.749469 -7.046744 9.541310\n6.749469 7.046744 -9.541310\nBa Ag Hg\n2 1 1\ndirect\n0.764543 0.000000 0.764543 Ba\n0.235457 0.000000 0.235457 Ba\n0.000000 0.000000 0.000000 Ag\n0.500000 0.000000 0.500000 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Ag",
"Hg"
],
"chemical_system": "Ag-Ba-Hg",
"density": 0.5334271621972856,
"density_atomic": 0.002203605726012615,
"volume": 1815.2067553563352,
"volume_molar": 273.28576473146836,
"formula_full": "Ba2 Ag1 Hg1",
"formula_reduced": "Ba2AgHg",
"formula_anonymous": "ABC2",
"energy": -3.21890947,
"energy_per_atom": -0.8047273675,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.21890947,
"band_gap": 0.1757000000000002,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.0056708,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:13.585000Z",
"spacegroup": 71
},
{
"id": "mp-1096191",
"created_at": "2022-09-04T14:41:23.447638Z",
"structure_string": "Sr2 Tl1 Zn1\n1.0\n-6.678886 6.935095 9.774679\n6.678886 -6.935095 9.774679\n6.678886 6.935095 -9.774679\nSr Tl Zn\n2 1 1\ndirect\n0.000000 0.259326 0.259326 Sr\n0.000000 0.740674 0.740674 Sr\n0.000000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Zn\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sr",
"Tl",
"Zn"
],
"chemical_system": "Sr-Tl-Zn",
"density": 0.4080578054107514,
"density_atomic": 0.0022087219675960184,
"volume": 1811.002044930814,
"volume_molar": 272.65273078053013,
"formula_full": "Sr2 Tl1 Zn1",
"formula_reduced": "Sr2TlZn",
"formula_anonymous": "ABC2",
"energy": -2.46536251,
"energy_per_atom": -0.6163406275,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -2.46536251,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9995963,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:17.104000Z",
"spacegroup": 71
},
{
"id": "mp-1207287",
"created_at": "2022-09-04T14:48:18.347980Z",
"structure_string": "Nd2 As3 Au1\n1.0\n8.468697 0.000000 0.000000\n0.000000 8.468697 0.000000\n0.000000 0.000000 37.876121\nNd As Au\n2 3 1\ndirect\n0.500000 0.500000 0.243207 Nd\n0.500000 0.500000 0.756793 Nd\n0.500000 0.500000 0.691194 As\n0.500000 0.500000 0.308806 As\n0.500000 0.500000 0.000000 As\n0.500000 0.500000 0.500000 Au\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Nd",
"As",
"Au"
],
"chemical_system": "As-Au-Nd",
"density": 0.43415067355570836,
"density_atomic": 0.0022087805324061973,
"volume": 2716.4310405541883,
"volume_molar": 272.64550151750984,
"formula_full": "Nd2 As3 Au1",
"formula_reduced": "Nd2As3Au",
"formula_anonymous": "AB2C3",
"energy": -13.2072477,
"energy_per_atom": -2.20120795,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -13.2072477,
"band_gap": 0.1190999999999999,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 3.9446314,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:56.406000Z",
"spacegroup": 123
}
]
}