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=-id&page=132",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-id&page=130",
"results": [
{
"id": "mp-979419",
"created_at": "2022-09-04T14:46:01.062051Z",
"structure_string": "Dy3 Y1\n1.0\n5.037867 0.000000 0.000000\n0.000000 5.037867 0.000000\n0.000000 0.000000 5.037867\nDy Y\n3 1\ndirect\n0.500000 0.500000 0.000000 Dy\n0.500000 0.000000 0.500000 Dy\n0.000000 0.500000 0.500000 Dy\n0.000000 0.000000 0.000000 Y\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Dy",
"Y"
],
"chemical_system": "Dy-Y",
"density": 7.485785586888087,
"density_atomic": 0.031283828586401836,
"volume": 127.86158794319321,
"volume_molar": 19.250012009775713,
"formula_full": "Dy3 Y1",
"formula_reduced": "Dy3Y",
"formula_anonymous": "AB3",
"energy": -20.18072342,
"energy_per_atom": -5.045180855,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -20.18072342,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.004527,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:16.816000Z",
"spacegroup": 221
},
{
"id": "mp-979418",
"created_at": "2022-09-04T14:40:17.890078Z",
"structure_string": "Sm4 Re6 B12\n1.0\n5.284625 3.403045 0.000000\n-5.284625 3.403045 0.000000\n0.000000 0.130146 7.567596\nSm Re B\n4 6 12\ndirect\n0.441724 0.095194 0.175493 Sm\n0.904806 0.558276 0.324507 Sm\n0.558276 0.904806 0.824507 Sm\n0.095194 0.441724 0.675493 Sm\n0.805481 0.989854 0.412325 Re\n0.010146 0.194519 0.087675 Re\n0.194519 0.010146 0.587675 Re\n0.989854 0.805481 0.912325 Re\n0.414421 0.585579 0.250000 Re\n0.585579 0.414421 0.750000 Re\n0.153182 0.245170 0.368474 B\n0.754830 0.846818 0.131526 B\n0.846818 0.754830 0.631526 B\n0.245170 0.153182 0.868474 B\n0.160051 0.587574 0.020046 B\n0.412426 0.839949 0.479954 B\n0.839949 0.412426 0.979954 B\n0.587574 0.160051 0.520046 B\n0.349839 0.442657 0.965340 B\n0.557343 0.650161 0.534660 B\n0.650161 0.557343 0.034660 B\n0.442657 0.349839 0.465340 B\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Sm",
"Re",
"B"
],
"chemical_system": "B-Re-Sm",
"density": 11.276609595380025,
"density_atomic": 0.08082633363808593,
"volume": 272.1885183919,
"volume_molar": 7.450716231872139,
"formula_full": "Sm4 Re6 B12",
"formula_reduced": "Sm2(ReB2)3",
"formula_anonymous": "A2B3C6",
"energy": -184.41903095000004,
"energy_per_atom": -8.382683225000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -184.41903095000004,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003233,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:52.354000Z",
"spacegroup": 15
},
{
"id": "mp-979417",
"created_at": "2022-09-04T14:46:12.775119Z",
"structure_string": "Dy1 Y1 Cd2\n1.0\n0.000000 3.753692 3.753692\n3.753692 0.000000 3.753692\n3.753692 3.753692 0.000000\nDy Y Cd\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Dy\n0.000000 0.000000 0.000000 Y\n0.750000 0.750000 0.750000 Cd\n0.250000 0.250000 0.250000 Cd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Dy",
"Y",
"Cd"
],
"chemical_system": "Cd-Dy-Y",
"density": 7.475805384653272,
"density_atomic": 0.03781412812065151,
"volume": 105.7805692950903,
"volume_molar": 15.925636949199195,
"formula_full": "Dy1 Y1 Cd2",
"formula_reduced": "DyYCd2",
"formula_anonymous": "ABC2",
"energy": -14.24672714,
"energy_per_atom": -3.561681785,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.24672714,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0133547,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:23.993000Z",
"spacegroup": 225
},
{
"id": "mp-979416",
"created_at": "2022-09-04T14:41:03.691991Z",
"structure_string": "Ta2 Be2 O5\n1.0\n3.532616 0.000000 0.000000\n0.000000 3.532616 0.000000\n0.000000 0.000000 6.429034\nTa Be O\n2 2 5\ndirect\n0.500000 0.500000 0.000000 Ta\n0.500000 0.500000 0.500000 Ta\n0.000000 0.000000 0.745611 Be\n0.000000 0.000000 0.254389 Be\n0.500000 0.000000 0.798011 O\n0.500000 0.000000 0.201989 O\n0.000000 0.000000 0.500000 O\n0.000000 0.500000 0.798011 O\n0.000000 0.500000 0.201989 O\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Ta",
"Be",
"O"
],
"chemical_system": "Be-O-Ta",
"density": 9.518972925233468,
"density_atomic": 0.11217702644091058,
"volume": 80.23033133919594,
"volume_molar": 5.368426094956414,
"formula_full": "Ta2 Be2 O5",
"formula_reduced": "Ta2Be2O5",
"formula_anonymous": "A2B2C5",
"energy": -73.70485802,
"energy_per_atom": -8.189428668888889,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -70.26985802,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.2298379,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:17.613000Z",
"spacegroup": 123
},
{
"id": "mp-979414",
"created_at": "2022-09-04T14:41:23.521001Z",
"structure_string": "W2 S2 Cl8\n1.0\n6.988988 0.000000 0.000000\n1.466271 7.874508 0.000000\n1.632161 1.599349 7.779967\nW S Cl\n2 2 8\ndirect\n0.859193 0.751466 0.802094 W\n0.140807 0.248534 0.197906 W\n0.657824 0.980440 0.760640 S\n0.342176 0.019560 0.239360 S\n0.139787 0.848613 0.829814 Cl\n0.017004 0.719188 0.531145 Cl\n0.809001 0.664410 0.099288 Cl\n0.680411 0.538695 0.798530 Cl\n0.319589 0.461305 0.201470 Cl\n0.190999 0.335590 0.900712 Cl\n0.982996 0.280812 0.468855 Cl\n0.860213 0.151387 0.170186 Cl\n",
"nsites": 12,
"nelements": 3,
"elements": [
"W",
"S",
"Cl"
],
"chemical_system": "Cl-S-W",
"density": 2.7746179707078027,
"density_atomic": 0.028026300087391317,
"volume": 428.1692539715098,
"volume_molar": 21.487462637671843,
"formula_full": "W2 S2 Cl8",
"formula_reduced": "WSCl4",
"formula_anonymous": "ABC4",
"energy": -64.44833036,
"energy_per_atom": -5.370694196666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -58.53033036,
"band_gap": 1.965,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:26.996000Z",
"spacegroup": 2
},
{
"id": "mp-979413",
"created_at": "2022-09-04T14:47:08.296586Z",
"structure_string": "W3 C1\n1.0\n-1.764266 1.764266 4.533736\n1.764266 -1.764266 4.533736\n1.764266 1.764266 -4.533736\nW C\n3 1\ndirect\n0.750000 0.250000 0.500000 W\n0.250000 0.750000 0.500000 W\n0.500000 0.500000 0.000000 W\n0.000000 0.000000 0.000000 C\n",
"nsites": 4,
"nelements": 2,
"elements": [
"W",
"C"
],
"chemical_system": "C-W",
"density": 16.577625702894597,
"density_atomic": 0.07086236507358004,
"volume": 56.447452690107,
"volume_molar": 8.498362641081625,
"formula_full": "W3 C1",
"formula_reduced": "W3C",
"formula_anonymous": "AB3",
"energy": -43.02378378,
"energy_per_atom": -10.755945945,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -43.02378378,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003299,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:57.440000Z",
"spacegroup": 139
},
{
"id": "mp-979412",
"created_at": "2022-09-04T14:46:17.028841Z",
"structure_string": "Th3 B1\n1.0\n4.660912 0.000000 0.000000\n0.000000 4.660912 0.000000\n0.000000 0.000000 4.660912\nTh B\n3 1\ndirect\n0.000000 0.500000 0.500000 Th\n0.500000 0.000000 0.500000 Th\n0.500000 0.500000 0.000000 Th\n0.000000 0.000000 0.000000 B\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Th",
"B"
],
"chemical_system": "B-Th",
"density": 11.593373791067698,
"density_atomic": 0.0395045647559091,
"volume": 101.25412151013965,
"volume_molar": 15.24416430660512,
"formula_full": "Th3 B1",
"formula_reduced": "Th3B",
"formula_anonymous": "AB3",
"energy": -26.7517199,
"energy_per_atom": -6.687929975,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -26.7517199,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0009024,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:30.188000Z",
"spacegroup": 221
},
{
"id": "mp-9794",
"created_at": "2022-09-04T14:47:55.358659Z",
"structure_string": "Rb4 Ge2 Se6\n1.0\n3.630629 7.173254 0.000000\n-3.630629 7.173254 0.000000\n0.000000 5.954115 8.489978\nRb Ge Se\n4 2 6\ndirect\n0.813020 0.813020 0.821112 Rb\n0.186980 0.186980 0.178888 Rb\n0.589083 0.589083 0.624233 Rb\n0.410917 0.410917 0.375767 Rb\n0.880952 0.880952 0.182335 Ge\n0.119048 0.119048 0.817665 Ge\n0.297223 0.297223 0.776452 Se\n0.702777 0.702777 0.223548 Se\n0.250079 0.749921 0.000000 Se\n0.749921 0.250079 0.000000 Se\n0.887279 0.887279 0.401952 Se\n0.112721 0.112721 0.598048 Se\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Rb",
"Ge",
"Se"
],
"chemical_system": "Ge-Rb-Se",
"density": 3.6082590605924634,
"density_atomic": 0.02713604832863942,
"volume": 442.21619355443084,
"volume_molar": 22.192401366134895,
"formula_full": "Rb4 Ge2 Se6",
"formula_reduced": "Rb2GeSe3",
"formula_anonymous": "AB2C3",
"energy": -47.47076749,
"energy_per_atom": -3.955897290833333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -44.63876749,
"band_gap": 1.4969,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0011252,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:21.147000Z",
"spacegroup": 12
},
{
"id": "mp-979355",
"created_at": "2022-09-04T14:48:09.647867Z",
"structure_string": "Sm6 Dy2\n1.0\n3.651069 -6.323838 0.000000\n3.651069 6.323838 0.000000\n0.000000 0.000000 5.811286\nSm Dy\n6 2\ndirect\n0.166675 0.333350 0.250000 Sm\n0.666650 0.833325 0.250000 Sm\n0.166675 0.833325 0.250000 Sm\n0.833325 0.666650 0.750000 Sm\n0.333350 0.166675 0.750000 Sm\n0.833325 0.166675 0.750000 Sm\n0.333333 0.666667 0.750000 Dy\n0.666667 0.333333 0.250000 Dy\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Sm",
"Dy"
],
"chemical_system": "Dy-Sm",
"density": 7.593592130563714,
"density_atomic": 0.02981171531020319,
"volume": 268.3508787319583,
"volume_molar": 20.200584559919292,
"formula_full": "Sm6 Dy2",
"formula_reduced": "Sm3Dy",
"formula_anonymous": "AB3",
"energy": -37.34305674,
"energy_per_atom": -4.6678820925,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -37.34305674,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0112073,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:24.641000Z",
"spacegroup": 194
},
{
"id": "mp-979340",
"created_at": "2022-09-04T14:43:39.752732Z",
"structure_string": "Sr16 Li8 Ta8 N24 F8\n1.0\n5.665523 0.000000 0.000000\n0.000000 10.836870 0.000000\n0.000000 0.000000 16.003294\nSr Li Ta N F\n16 8 8 24 8\ndirect\n0.781913 0.870458 0.715808 Sr\n0.218087 0.629542 0.215808 Sr\n0.718087 0.370458 0.284192 Sr\n0.281913 0.129542 0.784192 Sr\n0.218087 0.129542 0.284192 Sr\n0.781913 0.370458 0.784192 Sr\n0.281913 0.629542 0.715808 Sr\n0.718087 0.870458 0.215808 Sr\n0.707385 0.050026 0.414938 Sr\n0.292615 0.449974 0.914938 Sr\n0.792615 0.550026 0.585062 Sr\n0.207385 0.949974 0.085062 Sr\n0.292615 0.949974 0.585062 Sr\n0.707385 0.550026 0.085062 Sr\n0.207385 0.449974 0.414938 Sr\n0.792615 0.050026 0.914938 Sr\n0.212081 0.165492 0.479479 Li\n0.787919 0.334508 0.979479 Li\n0.287919 0.665492 0.520521 Li\n0.712081 0.834508 0.020521 Li\n0.787919 0.834508 0.520521 Li\n0.212081 0.665492 0.020521 Li\n0.712081 0.334508 0.479479 Li\n0.287919 0.165492 0.979479 Li\n0.834669 0.155559 0.634762 Ta\n0.165331 0.344441 0.134762 Ta\n0.665331 0.655559 0.365238 Ta\n0.334669 0.844441 0.865238 Ta\n0.165331 0.844441 0.365238 Ta\n0.834669 0.655559 0.865238 Ta\n0.334669 0.344441 0.634762 Ta\n0.665331 0.155559 0.134762 Ta\n0.805724 0.117796 0.751890 N\n0.194276 0.382204 0.251890 N\n0.694276 0.617796 0.248110 N\n0.305724 0.882204 0.748110 N\n0.194276 0.882204 0.248110 N\n0.805724 0.617796 0.748110 N\n0.305724 0.382204 0.751890 N\n0.694276 0.117796 0.251890 N\n0.748002 0.006945 0.575394 N\n0.251998 0.493055 0.075394 N\n0.751998 0.506945 0.424606 N\n0.248002 0.993055 0.924606 N\n0.251998 0.993055 0.424606 N\n0.748002 0.506945 0.924606 N\n0.248002 0.493055 0.575394 N\n0.751998 0.006945 0.075394 N\n0.178155 0.179708 0.612808 N\n0.821845 0.320292 0.112808 N\n0.321845 0.679708 0.387192 N\n0.678155 0.820292 0.887192 N\n0.821845 0.820292 0.387192 N\n0.178155 0.679708 0.887192 N\n0.678155 0.320292 0.612808 N\n0.321845 0.179708 0.112808 N\n0.962168 0.245082 0.418555 F\n0.037832 0.254918 0.918555 F\n0.537832 0.745082 0.581445 F\n0.462168 0.754918 0.081445 F\n0.037832 0.754918 0.581445 F\n0.962168 0.745082 0.081445 F\n0.462168 0.254918 0.418555 F\n0.537832 0.245082 0.918555 F\n",
"nsites": 64,
"nelements": 5,
"elements": [
"Sr",
"Li",
"Ta",
"N",
"F"
],
"chemical_system": "F-Li-N-Sr-Ta",
"density": 5.73459328774316,
"density_atomic": 0.06513684508724776,
"volume": 982.5468199185115,
"volume_molar": 9.245367582561949,
"formula_full": "Sr16 Li8 Ta8 N24 F8",
"formula_reduced": "Sr2LiTaN3F",
"formula_anonymous": "ABCD2E3",
"energy": -468.14534828,
"energy_per_atom": -7.314771066875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -455.78534828,
"band_gap": 2.5637,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:22.971000Z",
"spacegroup": 61
},
{
"id": "mp-979339",
"created_at": "2022-09-04T14:39:21.917465Z",
"structure_string": "Sm6 Cd2\n1.0\n3.546123 -6.142065 0.000000\n3.546123 6.142065 0.000000\n0.000000 0.000000 5.555964\nSm Cd\n6 2\ndirect\n0.173317 0.346634 0.250000 Sm\n0.653366 0.826683 0.250000 Sm\n0.173317 0.826683 0.250000 Sm\n0.826683 0.653366 0.750000 Sm\n0.346634 0.173317 0.750000 Sm\n0.826683 0.173317 0.750000 Sm\n0.333333 0.666667 0.750000 Cd\n0.666667 0.333333 0.250000 Cd\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Sm",
"Cd"
],
"chemical_system": "Cd-Sm",
"density": 7.732295713846863,
"density_atomic": 0.03305463491187781,
"volume": 242.02354741861905,
"volume_molar": 18.218748372368232,
"formula_full": "Sm6 Cd2",
"formula_reduced": "Sm3Cd",
"formula_anonymous": "AB3",
"energy": -30.8936465,
"energy_per_atom": -3.8617058125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -30.8936465,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.0908536,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:29.895000Z",
"spacegroup": 194
},
{
"id": "mp-9793",
"created_at": "2022-09-04T14:43:12.507769Z",
"structure_string": "Ba6 B2 As2 O6\n1.0\n2.798199 -4.846623 0.000000\n2.798199 4.846623 0.000000\n0.000000 0.000000 14.032450\nBa B As O\n6 2 2 6\ndirect\n0.333333 0.666667 0.398460 Ba\n0.000000 0.000000 0.250000 Ba\n0.000000 0.000000 0.750000 Ba\n0.666667 0.333333 0.898460 Ba\n0.666667 0.333333 0.601540 Ba\n0.333333 0.666667 0.101540 Ba\n0.666667 0.333333 0.250000 B\n0.333333 0.666667 0.750000 B\n0.000000 0.000000 0.000000 As\n0.000000 0.000000 0.500000 As\n0.477719 0.955438 0.750000 O\n0.522281 0.477719 0.250000 O\n0.522281 0.044562 0.250000 O\n0.044562 0.522281 0.750000 O\n0.477719 0.522281 0.750000 O\n0.955438 0.477719 0.250000 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Ba",
"B",
"As",
"O"
],
"chemical_system": "As-B-Ba-O",
"density": 4.761689830950284,
"density_atomic": 0.04203767105985669,
"volume": 380.6109995298713,
"volume_molar": 14.325581337332368,
"formula_full": "Ba6 B2 As2 O6",
"formula_reduced": "Ba3BAsO3",
"formula_anonymous": "ABC3D3",
"energy": -104.42899136,
"energy_per_atom": -6.52681196,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -100.30699136,
"band_gap": 1.5233,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.32e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:57.175000Z",
"spacegroup": 194
}
]
}