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=12184",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=volume_molar&page=12182",
"results": [
{
"id": "mp-1097299",
"created_at": "2022-09-04T14:47:28.089918Z",
"structure_string": "Rb2 Na1 Hg1\n1.0\n-7.163023 7.764362 10.125819\n7.163023 -7.764362 10.125819\n7.163023 7.764362 -10.125819\nRb Na Hg\n2 1 1\ndirect\n0.249841 0.000000 0.249841 Rb\n0.750159 0.000000 0.750159 Rb\n0.000000 0.000000 0.000000 Na\n0.500000 0.000000 0.500000 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Rb",
"Na",
"Hg"
],
"chemical_system": "Hg-Na-Rb",
"density": 0.29081764404862437,
"density_atomic": 0.001775692330317945,
"volume": 2252.642494256752,
"volume_molar": 339.14325455929134,
"formula_full": "Rb2 Na1 Hg1",
"formula_reduced": "Rb2NaHg",
"formula_anonymous": "ABC2",
"energy": -2.07442825,
"energy_per_atom": -0.5186070625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -2.07442825,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0067687,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:12.453000Z",
"spacegroup": 71
},
{
"id": "mp-1206277",
"created_at": "2022-09-04T14:42:53.534180Z",
"structure_string": "Tb2 Zn1 Sb3\n1.0\n9.202676 0.000000 0.000000\n0.000000 9.202676 0.000000\n0.000000 0.000000 40.040695\nTb Zn Sb\n2 1 3\ndirect\n0.500000 0.500000 0.243068 Tb\n0.500000 0.500000 0.756932 Tb\n0.500000 0.500000 0.500000 Zn\n0.500000 0.500000 0.691061 Sb\n0.500000 0.500000 0.308939 Sb\n0.500000 0.500000 0.000000 Sb\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Tb",
"Zn",
"Sb"
],
"chemical_system": "Sb-Tb-Zn",
"density": 0.36655071006493717,
"density_atomic": 0.001769381080884691,
"volume": 3391.016251287144,
"volume_molar": 340.3529530783118,
"formula_full": "Tb2 Zn1 Sb3",
"formula_reduced": "Tb2ZnSb3",
"formula_anonymous": "AB2C3",
"energy": -11.19840549,
"energy_per_atom": -1.866400915,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -10.62240549,
"band_gap": 0.1316999999999999,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.9275739,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:55.857000Z",
"spacegroup": 123
},
{
"id": "mp-1210578",
"created_at": "2022-09-04T14:41:34.850455Z",
"structure_string": "Nb1 S6\n1.0\n4.555855 -8.419017 0.000000\n4.555855 8.419017 0.000000\n0.000000 0.000000 51.726074\nNb S\n1 6\ndirect\n0.000000 0.000000 0.000000 Nb\n0.000000 0.000000 0.249996 S\n0.000000 0.000000 0.750004 S\n0.242245 0.990732 0.000000 S\n0.757755 0.009268 0.000000 S\n0.990732 0.242245 0.000000 S\n0.009268 0.757755 0.000000 S\n",
"nsites": 7,
"nelements": 2,
"elements": [
"Nb",
"S"
],
"chemical_system": "Nb-S",
"density": 0.11939181829879468,
"density_atomic": 0.0017641164425055379,
"volume": 3967.992039152498,
"volume_molar": 341.36866563336827,
"formula_full": "Nb1 S6",
"formula_reduced": "NbS6",
"formula_anonymous": "AB6",
"energy": -30.13715166,
"energy_per_atom": -4.30530738,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -27.11915166,
"band_gap": 0.0632999999999999,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.9285446,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:28.588000Z",
"spacegroup": 65
},
{
"id": "mp-1206232",
"created_at": "2022-09-04T14:48:10.079041Z",
"structure_string": "Nd2 Cd1 Sb3\n1.0\n9.108975 0.000000 0.000000\n0.000000 9.108975 0.000000\n0.000000 0.000000 41.011323\nNd Cd Sb\n2 1 3\ndirect\n0.500000 0.500000 0.242870 Nd\n0.500000 0.500000 0.757130 Nd\n0.500000 0.500000 0.500000 Cd\n0.500000 0.500000 0.690898 Sb\n0.500000 0.500000 0.309102 Sb\n0.500000 0.500000 0.000000 Sb\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Nd",
"Cd",
"Sb"
],
"chemical_system": "Cd-Nd-Sb",
"density": 0.37388175674075,
"density_atomic": 0.001763227905478751,
"volume": 3402.8499556731335,
"volume_molar": 341.54069030372284,
"formula_full": "Nd2 Cd1 Sb3",
"formula_reduced": "Nd2CdSb3",
"formula_anonymous": "AB2C3",
"energy": -11.8522232,
"energy_per_atom": -1.9753705333333331,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -11.2762232,
"band_gap": 0.1359000000000003,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 3.1427472,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:33.257000Z",
"spacegroup": 123
},
{
"id": "mp-1217805",
"created_at": "2022-09-04T14:48:30.400982Z",
"structure_string": "Ta2\n1.0\n0.000000 0.000000 2.406720\n21.717152 0.000333 0.000000\n0.000333 21.717152 0.000000\nTa\n2\ndirect\n0.000000 0.818090 0.318090 Ta\n0.000000 0.181910 0.681910 Ta\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Ta"
],
"chemical_system": "Ta",
"density": 0.5294211455763627,
"density_atomic": 0.0017619707183544225,
"volume": 1135.092643235231,
"volume_molar": 341.7843836601512,
"formula_full": "Ta2",
"formula_reduced": "Ta",
"formula_anonymous": "A",
"energy": -13.42462527,
"energy_per_atom": -6.712312635,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -13.42462527,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.4133939,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:57.531000Z",
"spacegroup": 65
},
{
"id": "mp-1207379",
"created_at": "2022-09-04T14:40:30.685638Z",
"structure_string": "Y3 Tl1 S6\n1.0\n5.579475 -9.697321 0.000000\n5.579475 9.697321 0.000000\n0.000000 0.000000 52.592400\nY Tl S\n3 1 6\ndirect\n0.000000 0.000000 0.500000 Y\n0.500000 0.000000 0.000000 Y\n0.000000 0.500000 0.000000 Y\n0.000000 0.000000 0.000000 Tl\n0.000000 0.000000 0.231039 S\n0.000000 0.000000 0.768961 S\n0.280478 0.997133 0.000000 S\n0.719522 0.002867 0.000000 S\n0.997133 0.280478 0.000000 S\n0.002867 0.719522 0.000000 S\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Y",
"Tl",
"S"
],
"chemical_system": "S-Tl-Y",
"density": 0.19359134723478236,
"density_atomic": 0.0017571219608662027,
"volume": 5691.124590503856,
"volume_molar": 342.7275336671158,
"formula_full": "Y3 Tl1 S6",
"formula_reduced": "Y3TlS6",
"formula_anonymous": "AB3C6",
"energy": -37.6211459,
"energy_per_atom": -3.7621145900000004,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -34.6031459,
"band_gap": 0.0005999999999994,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.509069,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:03.017000Z",
"spacegroup": 65
},
{
"id": "mp-1096498",
"created_at": "2022-09-04T14:44:43.711218Z",
"structure_string": "Ba2 Na1 Mg1\n1.0\n-7.323016 7.512237 10.373433\n7.323016 -7.512237 10.373433\n7.323016 7.512237 -10.373433\nBa Na Mg\n2 1 1\ndirect\n0.740948 0.000000 0.740948 Ba\n0.259052 0.000000 0.259052 Ba\n0.000000 0.000000 0.000000 Na\n0.500000 0.000000 0.500000 Mg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Na",
"Mg"
],
"chemical_system": "Ba-Mg-Na",
"density": 0.23420389057920193,
"density_atomic": 0.0017523394162980775,
"volume": 2282.662800823279,
"volume_molar": 343.6629173543408,
"formula_full": "Ba2 Na1 Mg1",
"formula_reduced": "Ba2NaMg",
"formula_anonymous": "ABC2",
"energy": -1.68091375,
"energy_per_atom": -0.4202284375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1.68091375,
"band_gap": 0.1331,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.9997494,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:45.729000Z",
"spacegroup": 71
},
{
"id": "mp-1207991",
"created_at": "2022-09-04T14:43:15.603857Z",
"structure_string": "Y2 Ti1 Si2\n1.0\n9.356924 0.000000 0.000000\n0.000000 9.356924 0.000000\n0.000000 0.000000 32.650477\nY Ti Si\n2 1 2\ndirect\n0.500000 0.500000 0.656273 Y\n0.500000 0.500000 0.343727 Y\n0.500000 0.500000 0.000000 Ti\n0.500000 0.500000 0.262233 Si\n0.500000 0.500000 0.737767 Si\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Y",
"Ti",
"Si"
],
"chemical_system": "Si-Ti-Y",
"density": 0.16372346974616706,
"density_atomic": 0.0017490985104255004,
"volume": 2858.6154354357423,
"volume_molar": 344.2996906180547,
"formula_full": "Y2 Ti1 Si2",
"formula_reduced": "Y2TiSi2",
"formula_anonymous": "AB2C2",
"energy": -12.73256742,
"energy_per_atom": -2.546513484,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -12.87456742,
"band_gap": 0.0051999999999998,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.4506919,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:10.538000Z",
"spacegroup": 123
},
{
"id": "mp-1206461",
"created_at": "2022-09-04T14:43:17.196749Z",
"structure_string": "Sm2 Mn1 Sb3\n1.0\n9.242805 0.000000 0.000000\n0.000000 9.242805 0.000000\n0.000000 0.000000 40.179076\nSm Mn Sb\n2 1 3\ndirect\n0.500000 0.500000 0.242742 Sm\n0.500000 0.500000 0.757258 Sm\n0.500000 0.500000 0.500000 Mn\n0.500000 0.500000 0.690696 Sb\n0.500000 0.500000 0.309304 Sb\n0.500000 0.500000 0.000000 Sb\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Sm",
"Mn",
"Sb"
],
"chemical_system": "Mn-Sb-Sm",
"density": 0.3487703167120185,
"density_atomic": 0.0017480092405516398,
"volume": 3432.4761338827416,
"volume_molar": 344.51424055970796,
"formula_full": "Sm2 Mn1 Sb3",
"formula_reduced": "Sm2MnSb3",
"formula_anonymous": "AB2C3",
"energy": -16.660805110000002,
"energy_per_atom": -2.776800851666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -16.08480511,
"band_gap": 0.0821999999999998,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 7.9631099,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:13.237000Z",
"spacegroup": 123
},
{
"id": "mp-1206475",
"created_at": "2022-09-04T14:44:24.762594Z",
"structure_string": "La2 Ag1 Sb3\n1.0\n9.179092 0.000000 0.000000\n0.000000 9.179092 0.000000\n0.000000 0.000000 40.754130\nLa Ag Sb\n2 1 3\ndirect\n0.500000 0.500000 0.242859 La\n0.500000 0.500000 0.757141 La\n0.500000 0.500000 0.500000 Ag\n0.500000 0.500000 0.690858 Sb\n0.500000 0.500000 0.309142 Sb\n0.500000 0.500000 0.000000 Sb\n",
"nsites": 6,
"nelements": 3,
"elements": [
"La",
"Ag",
"Sb"
],
"chemical_system": "Ag-La-Sb",
"density": 0.363156927497468,
"density_atomic": 0.0017473511031089984,
"volume": 3433.768971401579,
"volume_molar": 344.6440013850121,
"formula_full": "La2 Ag1 Sb3",
"formula_reduced": "La2AgSb3",
"formula_anonymous": "AB2C3",
"energy": -12.98597977,
"energy_per_atom": -2.1643299616666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -12.40997977,
"band_gap": 0.0995999999999996,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.8667946,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:43.438000Z",
"spacegroup": 123
},
{
"id": "mp-1097489",
"created_at": "2022-09-04T14:48:15.291520Z",
"structure_string": "Ba1 Na2 Pb1\n1.0\n-6.957831 7.719183 10.711220\n6.957831 -7.719183 10.711220\n6.957831 7.719183 -10.711220\nBa Na Pb\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Ba\n0.000000 0.284857 0.284857 Na\n0.000000 0.715143 0.715143 Na\n0.000000 0.500000 0.500000 Pb\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Na",
"Pb"
],
"chemical_system": "Ba-Na-Pb",
"density": 0.2817949875851593,
"density_atomic": 0.0017382644475500812,
"volume": 2301.145838676975,
"volume_molar": 346.4456037450249,
"formula_full": "Ba1 Na2 Pb1",
"formula_reduced": "BaNa2Pb",
"formula_anonymous": "ABC2",
"energy": -3.96687177,
"energy_per_atom": -0.9917179425,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.96687177,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.5457888,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:46.977000Z",
"spacegroup": 71
},
{
"id": "mp-1097135",
"created_at": "2022-09-04T14:41:04.366046Z",
"structure_string": "Ca2 Tl1 In1\n1.0\n-6.356433 7.968901 11.423965\n6.356433 -7.968901 11.423965\n6.356433 7.968901 -11.423965\nCa Tl In\n2 1 1\ndirect\n0.000000 0.249030 0.249030 Ca\n0.000000 0.750970 0.750970 Ca\n0.000000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 In\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ca",
"Tl",
"In"
],
"chemical_system": "Ca-In-Tl",
"density": 0.28649824408972874,
"density_atomic": 0.001728109393765856,
"volume": 2314.668281087977,
"volume_molar": 348.48145503547613,
"formula_full": "Ca2 Tl1 In1",
"formula_reduced": "Ca2TlIn",
"formula_anonymous": "ABC2",
"energy": -4.04066587,
"energy_per_atom": -1.0101664675,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.04066587,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.4153128,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:22.411000Z",
"spacegroup": 71
}
]
}