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=spacegroup&page=10216",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=spacegroup&page=10214",
"results": [
{
"id": "mp-1197924",
"created_at": "2022-09-04T14:41:14.447691Z",
"structure_string": "Y4 Ga4 Co30\n1.0\n0.000000 0.000000 -8.195349\n-4.176915 -7.250874 0.000000\n-4.176915 7.250874 0.000000\nY Ga Co\n4 4 30\ndirect\n0.750000 0.000124 0.999876 Y\n0.250000 0.999876 0.000124 Y\n0.250000 0.667113 0.332887 Y\n0.750000 0.332887 0.667113 Y\n0.595621 0.666936 0.333064 Ga\n0.404379 0.333064 0.666936 Ga\n0.095621 0.333064 0.666936 Ga\n0.904379 0.666936 0.333064 Ga\n0.500000 0.500000 0.000000 Co\n0.500000 0.500000 0.500000 Co\n0.500000 0.000000 0.500000 Co\n0.000000 0.500000 0.000000 Co\n0.000000 0.500000 0.500000 Co\n0.000000 0.000000 0.500000 Co\n0.750000 0.672574 0.046944 Co\n0.750000 0.374216 0.327378 Co\n0.750000 0.953310 0.625728 Co\n0.750000 0.374272 0.046690 Co\n0.750000 0.953056 0.327426 Co\n0.750000 0.672622 0.625784 Co\n0.250000 0.327426 0.953056 Co\n0.250000 0.625784 0.672622 Co\n0.250000 0.046690 0.374272 Co\n0.250000 0.625728 0.953310 Co\n0.250000 0.046944 0.672574 Co\n0.250000 0.327378 0.374216 Co\n0.474666 0.837787 0.674901 Co\n0.474296 0.837358 0.162642 Co\n0.474666 0.325099 0.162213 Co\n0.525334 0.162213 0.325099 Co\n0.525704 0.162642 0.837358 Co\n0.525334 0.674901 0.837787 Co\n0.974666 0.162213 0.325099 Co\n0.974296 0.162642 0.837358 Co\n0.974666 0.674901 0.837787 Co\n0.025334 0.837787 0.674901 Co\n0.025704 0.837358 0.162642 Co\n0.025334 0.325099 0.162213 Co\n",
"nsites": 38,
"nelements": 3,
"elements": [
"Y",
"Ga",
"Co"
],
"chemical_system": "Co-Ga-Y",
"density": 8.036576500647975,
"density_atomic": 0.0765491111611297,
"volume": 496.41334071159974,
"volume_molar": 7.867028981334453,
"formula_full": "Y4 Ga4 Co30",
"formula_reduced": "Y2Ga2Co15",
"formula_anonymous": "A2B2C15",
"energy": -255.45218227,
"energy_per_atom": -6.722425849210526,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -255.45218227,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 42.6981288,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:14.269000Z",
"spacegroup": 194
},
{
"id": "mp-1186986",
"created_at": "2022-09-04T14:41:15.175119Z",
"structure_string": "Sc2 Fe6\n1.0\n2.743493 -4.751870 0.000000\n2.743493 4.751870 0.000000\n0.000000 0.000000 4.351954\nSc Fe\n2 6\ndirect\n0.333333 0.666667 0.750000 Sc\n0.666667 0.333333 0.250000 Sc\n0.148273 0.296546 0.250000 Fe\n0.703454 0.851727 0.250000 Fe\n0.148273 0.851727 0.250000 Fe\n0.851727 0.703454 0.750000 Fe\n0.296546 0.148273 0.750000 Fe\n0.851727 0.148273 0.750000 Fe\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Sc",
"Fe"
],
"chemical_system": "Fe-Sc",
"density": 6.219231950514366,
"density_atomic": 0.07050294976950329,
"volume": 113.47042962251311,
"volume_molar": 8.541686241055595,
"formula_full": "Sc2 Fe6",
"formula_reduced": "ScFe3",
"formula_anonymous": "AB3",
"energy": -63.25487599,
"energy_per_atom": -7.90685949875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -63.25487599,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 13.4651347,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:14.565000Z",
"spacegroup": 194
},
{
"id": "mp-12325",
"created_at": "2022-09-04T14:41:15.181039Z",
"structure_string": "Cs2 Yb2 Se4\n1.0\n2.208034 -3.824427 0.000000\n2.208034 3.824427 0.000000\n0.000000 0.000000 16.399759\nCs Yb Se\n2 2 4\ndirect\n0.666667 0.333333 0.750000 Cs\n0.333333 0.666667 0.250000 Cs\n0.000000 0.000000 0.000000 Yb\n0.000000 0.000000 0.500000 Yb\n0.333333 0.666667 0.908683 Se\n0.666667 0.333333 0.408683 Se\n0.333333 0.666667 0.591317 Se\n0.666667 0.333333 0.091317 Se\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Cs",
"Yb",
"Se"
],
"chemical_system": "Cs-Se-Yb",
"density": 5.562006952480652,
"density_atomic": 0.028883538233179934,
"volume": 276.9743767337344,
"volume_molar": 20.84973354504772,
"formula_full": "Cs2 Yb2 Se4",
"formula_reduced": "CsYbSe2",
"formula_anonymous": "ABC2",
"energy": -30.84254346,
"energy_per_atom": -3.8553179325,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -28.95454346,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.008072,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:17.743000Z",
"spacegroup": 194
},
{
"id": "mp-1212837",
"created_at": "2022-09-04T14:41:15.217273Z",
"structure_string": "Eu4 Zn4 Cu2 P6\n1.0\n2.046957 -3.545434 0.000000\n2.046957 3.545434 0.000000\n0.000000 0.000000 21.925788\nEu Zn Cu P\n4 4 2 6\ndirect\n0.000000 0.000000 0.157634 Eu\n0.000000 0.000000 0.842366 Eu\n0.000000 0.000000 0.657634 Eu\n0.000000 0.000000 0.342366 Eu\n0.333333 0.666667 0.542069 Zn\n0.666667 0.333333 0.457931 Zn\n0.666667 0.333333 0.042069 Zn\n0.333333 0.666667 0.957931 Zn\n0.333333 0.666667 0.250000 Cu\n0.666667 0.333333 0.750000 Cu\n0.333333 0.666667 0.750000 P\n0.666667 0.333333 0.250000 P\n0.333333 0.666667 0.074325 P\n0.666667 0.333333 0.925675 P\n0.666667 0.333333 0.574325 P\n0.333333 0.666667 0.425675 P\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Eu",
"Zn",
"Cu",
"P"
],
"chemical_system": "Cu-Eu-P-Zn",
"density": 6.169641756129155,
"density_atomic": 0.05027552930469585,
"volume": 318.2462764943096,
"volume_molar": 11.978274208716325,
"formula_full": "Eu4 Zn4 Cu2 P6",
"formula_reduced": "Eu2Zn2CuP3",
"formula_anonymous": "AB2C2D3",
"energy": -99.37164591,
"energy_per_atom": -6.210727869375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -99.37164591,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 27.999999,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:15.143000Z",
"spacegroup": 194
},
{
"id": "mp-1191559",
"created_at": "2022-09-04T14:41:15.324647Z",
"structure_string": "Nb6 Rh18\n1.0\n2.772390 -4.801920 0.000000\n2.772390 4.801920 0.000000\n0.000000 0.000000 13.507159\nNb Rh\n6 18\ndirect\n0.000000 0.000000 0.250000 Nb\n0.000000 0.000000 0.750000 Nb\n0.333333 0.666667 0.410693 Nb\n0.666667 0.333333 0.589307 Nb\n0.666667 0.333333 0.910693 Nb\n0.333333 0.666667 0.089307 Nb\n0.503841 0.496159 0.250000 Rh\n0.503841 0.007682 0.250000 Rh\n0.992318 0.496159 0.250000 Rh\n0.496159 0.503841 0.750000 Rh\n0.496159 0.992318 0.750000 Rh\n0.007682 0.503841 0.750000 Rh\n0.166001 0.332001 0.917469 Rh\n0.667999 0.833999 0.917469 Rh\n0.166001 0.833999 0.917469 Rh\n0.833999 0.667999 0.082531 Rh\n0.332001 0.166001 0.082531 Rh\n0.833999 0.166001 0.082531 Rh\n0.833999 0.667999 0.417469 Rh\n0.332001 0.166001 0.417469 Rh\n0.833999 0.166001 0.417469 Rh\n0.166001 0.332001 0.582531 Rh\n0.667999 0.833999 0.582531 Rh\n0.166001 0.833999 0.582531 Rh\n",
"nsites": 24,
"nelements": 2,
"elements": [
"Nb",
"Rh"
],
"chemical_system": "Nb-Rh",
"density": 11.126422364979316,
"density_atomic": 0.06673412795632858,
"volume": 359.63607729624965,
"volume_molar": 9.024079499384397,
"formula_full": "Nb6 Rh18",
"formula_reduced": "NbRh3",
"formula_anonymous": "AB3",
"energy": -205.36611675,
"energy_per_atom": -8.55692153125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -205.36611675,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000968,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:15.434000Z",
"spacegroup": 194
},
{
"id": "mp-982044",
"created_at": "2022-09-04T14:41:15.458361Z",
"structure_string": "Sm6 Zn2\n1.0\n3.490715 -6.046095 0.000000\n3.490715 6.046095 0.000000\n0.000000 0.000000 5.300306\nSm Zn\n6 2\ndirect\n0.176659 0.353318 0.250000 Sm\n0.646682 0.823341 0.250000 Sm\n0.176659 0.823341 0.250000 Sm\n0.823341 0.646682 0.750000 Sm\n0.353318 0.176659 0.750000 Sm\n0.823341 0.176659 0.750000 Sm\n0.333333 0.666667 0.750000 Zn\n0.666667 0.333333 0.250000 Zn\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Sm",
"Zn"
],
"chemical_system": "Sm-Zn",
"density": 7.666901287993108,
"density_atomic": 0.035757709275725566,
"volume": 223.72797816304384,
"volume_molar": 16.841517205600702,
"formula_full": "Sm6 Zn2",
"formula_reduced": "Sm3Zn",
"formula_anonymous": "AB3",
"energy": -31.16872393,
"energy_per_atom": -3.89609049125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -31.16872393,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0276315,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:16.739000Z",
"spacegroup": 194
},
{
"id": "mp-1094034",
"created_at": "2022-09-04T14:41:15.529271Z",
"structure_string": "Ti6 C4\n1.0\n1.535322 -2.659255 0.000000\n1.535322 2.659255 0.000000\n0.000000 0.000000 15.130966\nTi C\n6 4\ndirect\n0.666667 0.333333 0.343208 Ti\n0.333333 0.666667 0.843208 Ti\n0.333333 0.666667 0.656792 Ti\n0.666667 0.333333 0.156792 Ti\n0.000000 0.000000 0.500000 Ti\n0.000000 0.000000 0.000000 Ti\n0.333333 0.666667 0.414108 C\n0.666667 0.333333 0.914108 C\n0.333333 0.666667 0.085892 C\n0.666667 0.333333 0.585892 C\n",
"nsites": 10,
"nelements": 2,
"elements": [
"Ti",
"C"
],
"chemical_system": "C-Ti",
"density": 4.505624960490742,
"density_atomic": 0.080936401498909,
"volume": 123.55380045077489,
"volume_molar": 7.440583777475178,
"formula_full": "Ti6 C4",
"formula_reduced": "Ti3C2",
"formula_anonymous": "A2B3",
"energy": -91.09501351999998,
"energy_per_atom": -9.109501351999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -91.09501351999998,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0137951,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:10.050000Z",
"spacegroup": 194
},
{
"id": "mp-570007",
"created_at": "2022-09-04T14:41:15.564650Z",
"structure_string": "Sm4 Os8\n1.0\n2.673994 -4.631493 0.000000\n2.673994 4.631493 0.000000\n0.000000 0.000000 9.028468\nSm Os\n4 8\ndirect\n0.333333 0.666667 0.435906 Sm\n0.666667 0.333333 0.564094 Sm\n0.666667 0.333333 0.935906 Sm\n0.333333 0.666667 0.064094 Sm\n0.170821 0.341642 0.750000 Os\n0.170821 0.829179 0.750000 Os\n0.341642 0.170821 0.250000 Os\n0.829179 0.658358 0.250000 Os\n0.658358 0.829179 0.750000 Os\n0.000000 0.000000 0.000000 Os\n0.829179 0.170821 0.250000 Os\n0.000000 0.000000 0.500000 Os\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Sm",
"Os"
],
"chemical_system": "Os-Sm",
"density": 15.766339251843343,
"density_atomic": 0.053660627488032894,
"volume": 223.62764957745185,
"volume_molar": 11.222643196528079,
"formula_full": "Sm4 Os8",
"formula_reduced": "SmOs2",
"formula_anonymous": "AB2",
"energy": -110.88276009999998,
"energy_per_atom": -9.240230008333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -110.88276009999998,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.008951,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:13.587000Z",
"spacegroup": 194
},
{
"id": "mp-1182102",
"created_at": "2022-09-04T14:41:15.662361Z",
"structure_string": "Ba2 H4\n1.0\n2.227943 -3.858911 0.000000\n2.227943 3.858911 0.000000\n0.000000 0.000000 6.060413\nBa H\n2 4\ndirect\n0.333333 0.666667 0.250000 Ba\n0.666667 0.333333 0.750000 Ba\n0.666667 0.333333 0.250000 H\n0.333333 0.666667 0.750000 H\n0.000000 0.000000 0.000000 H\n0.000000 0.000000 0.500000 H\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ba",
"H"
],
"chemical_system": "Ba-H",
"density": 4.440816427797771,
"density_atomic": 0.05757715419710093,
"volume": 104.20799853116232,
"volume_molar": 10.459253924542212,
"formula_full": "Ba2 H4",
"formula_reduced": "BaH2",
"formula_anonymous": "AB2",
"energy": -20.88064806,
"energy_per_atom": -3.48010801,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -20.16464806,
"band_gap": 1.6461,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0006779,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:10.307000Z",
"spacegroup": 194
},
{
"id": "mp-865798",
"created_at": "2022-09-04T14:41:15.783852Z",
"structure_string": "Ga2 Cu6\n1.0\n2.610866 -4.522153 0.000000\n2.610866 4.522153 0.000000\n0.000000 0.000000 4.231465\nGa Cu\n2 6\ndirect\n0.333333 0.666667 0.750000 Ga\n0.666667 0.333333 0.250000 Ga\n0.165350 0.330700 0.250000 Cu\n0.669300 0.834650 0.250000 Cu\n0.165350 0.834650 0.250000 Cu\n0.834650 0.669300 0.750000 Cu\n0.330700 0.165350 0.750000 Cu\n0.834650 0.165350 0.750000 Cu\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ga",
"Cu"
],
"chemical_system": "Cu-Ga",
"density": 8.653751915577427,
"density_atomic": 0.08006439083539613,
"volume": 99.91957618771058,
"volume_molar": 7.521621906024215,
"formula_full": "Ga2 Cu6",
"formula_reduced": "GaCu3",
"formula_anonymous": "AB3",
"energy": -31.39546326,
"energy_per_atom": -3.9244329075,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -31.39546326,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0006073,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:15.617000Z",
"spacegroup": 194
},
{
"id": "mp-1018733",
"created_at": "2022-09-04T14:41:15.820347Z",
"structure_string": "Ir2 N4\n1.0\n1.547450 -2.680262 0.000000\n1.547450 2.680262 0.000000\n0.000000 0.000000 7.495540\nIr N\n2 4\ndirect\n0.666667 0.333333 0.250000 Ir\n0.333333 0.666667 0.750000 Ir\n0.000000 0.000000 0.416391 N\n0.000000 0.000000 0.583609 N\n0.000000 0.000000 0.916391 N\n0.000000 0.000000 0.083609 N\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ir",
"N"
],
"chemical_system": "Ir-N",
"density": 11.763310604410272,
"density_atomic": 0.09649936469421147,
"volume": 62.17657514132745,
"volume_molar": 6.240601457929846,
"formula_full": "Ir2 N4",
"formula_reduced": "IrN2",
"formula_anonymous": "AB2",
"energy": -46.52681883,
"energy_per_atom": -7.754469805,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -45.08281883,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0038684,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:14.288000Z",
"spacegroup": 194
},
{
"id": "mp-1399857",
"created_at": "2022-09-04T14:41:15.892840Z",
"structure_string": "Y2 Ni2 O6\n1.0\n1.773737 -3.072203 0.000000\n1.773737 3.072203 0.000000\n0.000000 0.000000 11.365723\nY Ni O\n2 2 6\ndirect\n0.000000 0.000000 0.500000 Y\n0.000000 0.000000 0.000000 Y\n0.666667 0.333333 0.750000 Ni\n0.333333 0.666667 0.250000 Ni\n0.333333 0.666667 0.411602 O\n0.666667 0.333333 0.911602 O\n0.666667 0.333333 0.588398 O\n0.333333 0.666667 0.088398 O\n0.000000 0.000000 0.250000 O\n0.000000 0.000000 0.750000 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Y",
"Ni",
"O"
],
"chemical_system": "Ni-O-Y",
"density": 5.24416181940283,
"density_atomic": 0.08072978624101514,
"volume": 123.87001707331976,
"volume_molar": 7.459626787591349,
"formula_full": "Y2 Ni2 O6",
"formula_reduced": "YNiO3",
"formula_anonymous": "ABC3",
"energy": -76.37785980000001,
"energy_per_atom": -7.637785980000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -67.1738598,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.926362,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:25.118000Z",
"spacegroup": 194
}
]
}