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=chemical_system&page=111",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=chemical_system&page=109",
"results": [
{
"id": "mp-675111",
"created_at": "2022-09-04T14:47:44.405128Z",
"structure_string": "Ce4 Ag4 P8\n1.0\n3.758836 4.012289 0.000000\n-3.758836 4.012289 0.000000\n0.000000 1.359295 10.991379\nCe Ag P\n4 4 8\ndirect\n0.685898 0.889854 0.159217 Ce\n0.889854 0.685898 0.659217 Ce\n0.314102 0.110146 0.840783 Ce\n0.110146 0.314102 0.340783 Ce\n0.808296 0.363542 0.960961 Ag\n0.636458 0.191704 0.539039 Ag\n0.191704 0.636458 0.039039 Ag\n0.363542 0.808296 0.460961 Ag\n0.821032 0.899835 0.903155 P\n0.178968 0.100165 0.096845 P\n0.486937 0.618257 0.837974 P\n0.100165 0.178968 0.596845 P\n0.618257 0.486937 0.337974 P\n0.899835 0.821032 0.403155 P\n0.513063 0.381743 0.162026 P\n0.381743 0.513063 0.662026 P\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Ce",
"Ag",
"P"
],
"chemical_system": "Ag-Ce-P",
"density": 6.209367398301029,
"density_atomic": 0.048260544656017514,
"volume": 331.5337635337895,
"volume_molar": 12.47839369183147,
"formula_full": "Ce4 Ag4 P8",
"formula_reduced": "CeAgP2",
"formula_anonymous": "ABC2",
"energy": -87.37416905,
"energy_per_atom": -5.460885565625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -87.37416905,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.8976139,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:20.670000Z",
"spacegroup": 15
},
{
"id": "mp-1227171",
"created_at": "2022-09-04T14:47:06.007184Z",
"structure_string": "Ce2 Ag2 Pb2\n1.0\n2.770824 -4.799208 0.000000\n2.770824 4.799208 0.000000\n0.000000 0.000000 8.765927\nCe Ag Pb\n2 2 2\ndirect\n0.000000 0.000000 0.250957 Ce\n0.000000 0.000000 0.749043 Ce\n0.333333 0.666667 0.455265 Ag\n0.666667 0.333333 0.544735 Ag\n0.666667 0.333333 0.954722 Pb\n0.333333 0.666667 0.045278 Pb\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ce",
"Ag",
"Pb"
],
"chemical_system": "Ag-Ce-Pb",
"density": 6.484252422929614,
"density_atomic": 0.02573622776960253,
"volume": 233.13439924893328,
"volume_molar": 23.39946947125191,
"formula_full": "Ce2 Ag2 Pb2",
"formula_reduced": "CeAgPb",
"formula_anonymous": "ABC",
"energy": -23.70145105,
"energy_per_atom": -3.9502418416666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -23.70145105,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.0345407,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:53.552000Z",
"spacegroup": 164
},
{
"id": "mp-867239",
"created_at": "2022-09-04T14:41:24.278751Z",
"structure_string": "Ce2 Ag1 Pb1\n1.0\n0.000000 3.854491 3.854491\n3.854491 0.000000 3.854491\n3.854491 3.854491 0.000000\nCe Ag Pb\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ce\n0.750000 0.750000 0.750000 Ce\n0.000000 0.000000 0.000000 Ag\n0.500000 0.500000 0.500000 Pb\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ce",
"Ag",
"Pb"
],
"chemical_system": "Ag-Ce-Pb",
"density": 8.630859013343166,
"density_atomic": 0.03492439470104606,
"volume": 114.53312317192979,
"volume_molar": 17.243364735594472,
"formula_full": "Ce2 Ag1 Pb1",
"formula_reduced": "Ce2AgPb",
"formula_anonymous": "ABC2",
"energy": -19.35694143,
"energy_per_atom": -4.8392353575,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -19.35694143,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.0174834,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:23.753000Z",
"spacegroup": 225
},
{
"id": "mp-1106401",
"created_at": "2022-09-04T14:47:55.080533Z",
"structure_string": "Ce10 Ag2 Pb6\n1.0\n4.854435 -8.408129 0.000000\n4.854435 8.408129 0.000000\n0.000000 0.000000 6.620162\nCe Ag Pb\n10 2 6\ndirect\n0.666667 0.333333 0.500000 Ce\n0.333333 0.666667 0.500000 Ce\n0.333333 0.666667 0.000000 Ce\n0.666667 0.333333 0.000000 Ce\n0.716718 0.716718 0.250000 Ce\n0.283282 0.000000 0.250000 Ce\n0.000000 0.283282 0.250000 Ce\n0.283282 0.283282 0.750000 Ce\n0.716718 0.000000 0.750000 Ce\n0.000000 0.716718 0.750000 Ce\n0.000000 0.000000 0.500000 Ag\n0.000000 0.000000 0.000000 Ag\n0.371785 0.371785 0.250000 Pb\n0.628215 0.000000 0.250000 Pb\n0.000000 0.628215 0.250000 Pb\n0.628215 0.628215 0.750000 Pb\n0.371785 0.000000 0.750000 Pb\n0.000000 0.371785 0.750000 Pb\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Ce",
"Ag",
"Pb"
],
"chemical_system": "Ag-Ce-Pb",
"density": 8.78806174460547,
"density_atomic": 0.03330702445322257,
"volume": 540.42654051189,
"volume_molar": 18.080692763346914,
"formula_full": "Ce10 Ag2 Pb6",
"formula_reduced": "Ce5AgPb3",
"formula_anonymous": "AB3C5",
"energy": -93.82789234999998,
"energy_per_atom": -5.212660686111111,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -93.82789234999998,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 13.7321125,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:16.150000Z",
"spacegroup": 193
},
{
"id": "mp-13407",
"created_at": "2022-09-04T14:48:21.611699Z",
"structure_string": "Ce2 Ag2 Pb2\n1.0\n2.469219 -4.276813 0.000000\n2.469219 4.276813 0.000000\n0.000000 0.000000 7.616610\nCe Ag Pb\n2 2 2\ndirect\n0.000000 0.000000 0.000657 Ce\n0.000000 0.000000 0.500657 Ce\n0.666667 0.333333 0.304315 Ag\n0.333333 0.666667 0.804315 Ag\n0.333333 0.666667 0.222128 Pb\n0.666667 0.333333 0.722128 Pb\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ce",
"Ag",
"Pb"
],
"chemical_system": "Ag-Ce-Pb",
"density": 9.397118122704372,
"density_atomic": 0.03729749500938031,
"volume": 160.8687124561851,
"volume_molar": 16.1462338381852,
"formula_full": "Ce2 Ag2 Pb2",
"formula_reduced": "CeAgPb",
"formula_anonymous": "ABC",
"energy": -27.07515907,
"energy_per_atom": -4.512526511666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -27.07515907,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.0044961,
"is_theoretical": false,
"updated_at": "2021-11-28T01:39:11.491000Z",
"spacegroup": 186
},
{
"id": "mp-1226935",
"created_at": "2022-09-04T14:44:19.113456Z",
"structure_string": "Ce2 Ag2 P4 Se12\n1.0\n7.501010 0.000000 0.000000\n0.000000 6.763372 0.000000\n0.000000 6.424785 9.964544\nCe Ag P Se\n2 2 4 12\ndirect\n0.138219 0.715918 0.244674 Ce\n0.861781 0.715918 0.744674 Ce\n0.677851 0.288950 0.260935 Ag\n0.322149 0.288950 0.760935 Ag\n0.641013 0.629695 0.435057 P\n0.143887 0.371813 0.061710 P\n0.856113 0.371813 0.561710 P\n0.358987 0.629695 0.935057 P\n0.452635 0.399446 0.415032 Se\n0.928159 0.598430 0.061750 Se\n0.071841 0.598430 0.561750 Se\n0.547365 0.399446 0.915032 Se\n0.538175 0.757225 0.557765 Se\n0.041012 0.204381 0.957296 Se\n0.958988 0.204381 0.457296 Se\n0.461825 0.757225 0.057765 Se\n0.765328 0.904364 0.240516 Se\n0.268407 0.125068 0.258775 Se\n0.731593 0.125068 0.758775 Se\n0.234672 0.904364 0.740516 Se\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Ce",
"Ag",
"P",
"Se"
],
"chemical_system": "Ag-Ce-P-Se",
"density": 5.148537790119446,
"density_atomic": 0.039563030132232675,
"volume": 505.52245197482125,
"volume_molar": 15.221636815663567,
"formula_full": "Ce2 Ag2 P4 Se12",
"formula_reduced": "CeAg(PSe3)2",
"formula_anonymous": "ABC2D6",
"energy": -97.04736595,
"energy_per_atom": -4.8523682975,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -91.38336595,
"band_gap": 0.1197999999999996,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:40.889000Z",
"spacegroup": 7
},
{
"id": "mp-1226468",
"created_at": "2022-09-04T14:42:22.101709Z",
"structure_string": "Ce1 Zn1 Ag1 P2\n1.0\n2.085272 -3.611796 0.000000\n2.085272 3.611796 0.000000\n0.000000 0.000000 6.741512\nCe Zn Ag P\n1 1 1 2\ndirect\n0.333333 0.666667 0.006967 Ce\n0.666667 0.333333 0.630436 Zn\n0.000000 0.000000 0.364086 Ag\n0.000000 0.000000 0.752255 P\n0.666667 0.333333 0.246257 P\n",
"nsites": 5,
"nelements": 4,
"elements": [
"Ce",
"Zn",
"Ag",
"P"
],
"chemical_system": "Ag-Ce-P-Zn",
"density": 6.137641996537944,
"density_atomic": 0.04923758825915746,
"volume": 101.54843437259693,
"volume_molar": 12.230779314988022,
"formula_full": "Ce1 Zn1 Ag1 P2",
"formula_reduced": "CeZnAgP2",
"formula_anonymous": "ABCD2",
"energy": -24.11525966,
"energy_per_atom": -4.823051932,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -24.11525966,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.9996495,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:41.839000Z",
"spacegroup": 156
},
{
"id": "mp-675643",
"created_at": "2022-09-04T14:42:58.016850Z",
"structure_string": "Ce5 Ag1 S8\n1.0\n-4.256932 4.256932 4.305177\n4.256932 -4.256932 4.305177\n4.256932 4.256932 -4.305177\nCe Ag S\n5 1 8\ndirect\n0.750901 0.132955 0.118842 Ce\n0.367941 0.249099 0.382053 Ce\n0.014113 0.632059 0.881158 Ce\n0.500000 0.500000 0.000000 Ce\n0.867045 0.985887 0.617947 Ce\n0.250000 0.750000 0.500000 Ag\n0.273044 0.026692 0.893165 S\n0.620121 0.726956 0.753648 S\n0.117802 0.357253 0.602800 S\n0.484998 0.882198 0.239452 S\n0.642747 0.245546 0.760548 S\n0.973308 0.866473 0.246352 S\n0.133527 0.379879 0.106835 S\n0.754454 0.515002 0.397200 S\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Ce",
"Ag",
"S"
],
"chemical_system": "Ag-Ce-S",
"density": 5.6668446737962626,
"density_atomic": 0.044862514038852136,
"volume": 312.06454430698255,
"volume_molar": 13.423547228727898,
"formula_full": "Ce5 Ag1 S8",
"formula_reduced": "Ce5AgS8",
"formula_anonymous": "AB5C8",
"energy": -94.58743911,
"energy_per_atom": -6.756245650714286,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -90.56343911,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.0000001,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:08.088000Z",
"spacegroup": 82
},
{
"id": "mp-1206228",
"created_at": "2022-09-04T14:40:14.312927Z",
"structure_string": "Ce2 Ag3 Sb3\n1.0\n3.015752 0.000000 0.000000\n0.000000 3.015752 0.000000\n0.000000 0.000000 23.261607\nCe Ag Sb\n2 3 3\ndirect\n0.500000 0.500000 0.748838 Ce\n0.500000 0.500000 0.251162 Ce\n0.500000 0.500000 0.120736 Ag\n0.500000 0.500000 0.879264 Ag\n0.500000 0.500000 0.500000 Ag\n0.500000 0.500000 0.382800 Sb\n0.500000 0.500000 0.617200 Sb\n0.500000 0.500000 0.000000 Sb\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ce",
"Ag",
"Sb"
],
"chemical_system": "Ag-Ce-Sb",
"density": 7.60666284147891,
"density_atomic": 0.03781455759695208,
"volume": 211.55873579874472,
"volume_molar": 15.925456074846148,
"formula_full": "Ce2 Ag3 Sb3",
"formula_reduced": "Ce2(AgSb)3",
"formula_anonymous": "A2B3C3",
"energy": -30.86674285,
"energy_per_atom": -3.85834285625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -30.29074285,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.7342451,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:53.430000Z",
"spacegroup": 123
},
{
"id": "mp-510280",
"created_at": "2022-09-04T14:47:10.736277Z",
"structure_string": "Ce2 Ag2 Sb4\n1.0\n4.410020 0.000000 0.000000\n0.000000 4.410020 0.000000\n0.000000 0.000000 10.497458\nCe Ag Sb\n2 2 4\ndirect\n0.500000 0.000000 0.235286 Ce\n0.000000 0.500000 0.764714 Ce\n0.000000 0.000000 0.500000 Ag\n0.500000 0.500000 0.500000 Ag\n0.000000 0.000000 0.000000 Sb\n0.500000 0.500000 0.000000 Sb\n0.500000 0.000000 0.681964 Sb\n0.000000 0.500000 0.318036 Sb\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ce",
"Ag",
"Sb"
],
"chemical_system": "Ag-Ce-Sb",
"density": 7.995415957529628,
"density_atomic": 0.03918543959350341,
"volume": 204.15746468559018,
"volume_molar": 15.368312369266915,
"formula_full": "Ce2 Ag2 Sb4",
"formula_reduced": "CeAgSb2",
"formula_anonymous": "ABC2",
"energy": -40.12338663,
"energy_per_atom": -5.01542332875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -39.35538663,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.3578283,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:59.341000Z",
"spacegroup": 129
},
{
"id": "mp-676143",
"created_at": "2022-09-04T14:43:35.274137Z",
"structure_string": "Ce5 Ag1 Se8\n1.0\n-4.423953 4.423953 4.511988\n4.423953 -4.423953 4.511988\n4.423953 4.423953 -4.511988\nCe Ag Se\n5 1 8\ndirect\n0.012120 0.632804 0.880126 Ce\n0.868006 0.987880 0.620684 Ce\n0.752678 0.131994 0.119874 Ce\n0.500000 0.500000 0.000000 Ce\n0.367196 0.247322 0.379316 Ce\n0.250000 0.750000 0.500000 Ag\n0.136374 0.384998 0.111655 Se\n0.643329 0.245681 0.760299 Se\n0.975282 0.863626 0.248624 Se\n0.754319 0.514618 0.397649 Se\n0.485382 0.883030 0.239701 Se\n0.615002 0.726658 0.751376 Se\n0.273342 0.024718 0.888345 Se\n0.116970 0.356671 0.602351 Se\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Ce",
"Ag",
"Se"
],
"chemical_system": "Ag-Ce-Se",
"density": 6.770197156803499,
"density_atomic": 0.039635021640043504,
"volume": 353.222968493493,
"volume_molar": 15.193988828091857,
"formula_full": "Ce5 Ag1 Se8",
"formula_reduced": "Ce5AgSe8",
"formula_anonymous": "AB5C8",
"energy": -87.08179084,
"energy_per_atom": -6.2201279171428565,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -83.30579084,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.9999999,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:15.339000Z",
"spacegroup": 82
},
{
"id": "mp-18071",
"created_at": "2022-09-04T14:43:20.999335Z",
"structure_string": "Ce6 Si2 Ag2 Se14\n1.0\n5.396164 -9.346430 0.000000\n5.396164 9.346430 0.000000\n0.000000 0.000000 6.065071\nCe Si Ag Se\n6 2 2 14\ndirect\n0.125558 0.356900 0.740076 Ce\n0.768658 0.125558 0.240076 Ce\n0.356900 0.231342 0.240076 Ce\n0.643100 0.768658 0.740076 Ce\n0.231342 0.874442 0.740076 Ce\n0.874442 0.643100 0.240076 Ce\n0.333333 0.666667 0.330951 Si\n0.666667 0.333333 0.830951 Si\n0.000000 0.000000 0.184995 Ag\n0.000000 0.000000 0.684995 Ag\n0.522349 0.108593 0.980086 Se\n0.477651 0.891407 0.480086 Se\n0.108593 0.586245 0.480086 Se\n0.586245 0.477651 0.980086 Se\n0.093969 0.269569 0.226714 Se\n0.824400 0.093969 0.726714 Se\n0.413755 0.522349 0.480086 Se\n0.891407 0.413755 0.980086 Se\n0.333333 0.666667 0.956137 Se\n0.666667 0.333333 0.456137 Se\n0.906031 0.730431 0.726714 Se\n0.175600 0.906031 0.226714 Se\n0.730431 0.824400 0.226714 Se\n0.269569 0.175600 0.726714 Se\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Ce",
"Si",
"Ag",
"Se"
],
"chemical_system": "Ag-Ce-Se-Si",
"density": 6.020358512321202,
"density_atomic": 0.039229652295595205,
"volume": 611.7821238679389,
"volume_molar": 15.350991934935351,
"formula_full": "Ce6 Si2 Ag2 Se14",
"formula_reduced": "Ce3SiAgSe7",
"formula_anonymous": "ABC3D7",
"energy": -138.49200195,
"energy_per_atom": -5.77050008125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -131.88400195,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.5796408,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:12.423000Z",
"spacegroup": 173
}
]
}