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=-is_stable&page=12133",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-is_stable&page=12131",
"results": [
{
"id": "mp-1228418",
"created_at": "2022-09-04T14:44:55.868833Z",
"structure_string": "Ba6 Tb4 W2 O18\n1.0\n3.066916 3.053025 -4.324436\n6.152063 -0.000182 8.622364\n6.145823 -6.111443 -0.014889\nBa Tb W O\n6 4 2 18\ndirect\n0.494711 0.491863 0.249666 Ba\n0.174701 0.839817 0.571522 Ba\n0.821814 0.166828 0.922255 Ba\n0.171956 0.841470 0.083667 Ba\n0.844853 0.166505 0.411078 Ba\n0.491965 0.493517 0.761812 Ba\n0.000203 0.504520 0.997817 Tb\n0.666464 0.828813 0.335516 Tb\n0.333333 0.166667 0.666667 Tb\n0.333333 0.166667 0.166667 Tb\n0.996416 0.497762 0.501892 W\n0.670251 0.835571 0.831441 W\n0.543886 0.012093 0.280029 O\n0.172915 0.359260 0.599101 O\n0.860087 0.706909 0.918921 O\n0.122780 0.321241 0.053305 O\n0.806580 0.626424 0.414412 O\n0.493752 0.974073 0.734232 O\n0.284345 0.662828 0.414758 O\n0.957382 0.002600 0.747912 O\n0.645946 0.370393 0.064149 O\n0.647983 0.846079 0.054407 O\n0.297576 0.192941 0.407173 O\n0.985868 0.522561 0.715669 O\n0.382321 0.670506 0.918576 O\n0.020721 0.962940 0.269184 O\n0.709285 0.330733 0.585421 O\n0.018684 0.487254 0.278926 O\n0.680798 0.810773 0.617665 O\n0.369091 0.140392 0.926160 O\n",
"nsites": 30,
"nelements": 4,
"elements": [
"Ba",
"Tb",
"W",
"O"
],
"chemical_system": "Ba-O-Tb-W",
"density": 7.2236809313797785,
"density_atomic": 0.06169529565581834,
"volume": 486.26073805306044,
"volume_molar": 9.761102035390062,
"formula_full": "Ba6 Tb4 W2 O18",
"formula_reduced": "Ba3Tb2WO9",
"formula_anonymous": "AB2C3D9",
"energy": -242.83616152,
"energy_per_atom": -8.094538717333332,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -221.59416152,
"band_gap": 2.3808,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0024288,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:42.569000Z",
"spacegroup": 2
},
{
"id": "mp-1075902",
"created_at": "2022-09-04T14:44:55.988935Z",
"structure_string": "Eu1 Cu1 O3\n1.0\n3.825935 0.000000 0.000000\n0.000000 3.825935 0.000000\n0.000000 0.000000 3.825935\nEu Cu O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Eu\n0.000000 0.000000 0.000000 Cu\n0.500000 0.000000 0.000000 O\n0.000000 0.500000 0.000000 O\n0.000000 0.000000 0.500000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Eu",
"Cu",
"O"
],
"chemical_system": "Cu-Eu-O",
"density": 7.813227494755172,
"density_atomic": 0.08928062917886066,
"volume": 56.00318956067427,
"volume_molar": 6.745181810866861,
"formula_full": "Eu1 Cu1 O3",
"formula_reduced": "EuCuO3",
"formula_anonymous": "ABC3",
"energy": -39.11956246,
"energy_per_atom": -7.823912492,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -37.05856246,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.3010028,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:44.773000Z",
"spacegroup": 221
},
{
"id": "mp-28220",
"created_at": "2022-09-04T14:44:56.015954Z",
"structure_string": "Hf2 Fe2 Cl12\n1.0\n3.180803 -5.509312 0.000000\n3.180803 5.509312 0.000000\n0.000000 0.000000 12.871877\nHf Fe Cl\n2 2 12\ndirect\n0.333333 0.666667 0.250000 Hf\n0.666667 0.333333 0.750000 Hf\n0.000000 0.000000 0.250000 Fe\n0.000000 0.000000 0.750000 Fe\n0.664340 0.968434 0.139935 Cl\n0.031566 0.695906 0.139935 Cl\n0.304094 0.335660 0.139935 Cl\n0.031566 0.335660 0.360065 Cl\n0.335660 0.304094 0.639935 Cl\n0.695906 0.031566 0.639935 Cl\n0.968434 0.664340 0.639935 Cl\n0.695906 0.664340 0.860065 Cl\n0.968434 0.304094 0.860065 Cl\n0.335660 0.031566 0.860065 Cl\n0.664340 0.695906 0.360065 Cl\n0.304094 0.968434 0.360065 Cl\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Hf",
"Fe",
"Cl"
],
"chemical_system": "Cl-Fe-Hf",
"density": 3.291031884287032,
"density_atomic": 0.03546614340523129,
"volume": 451.13447541183695,
"volume_molar": 16.979970703867757,
"formula_full": "Hf2 Fe2 Cl12",
"formula_reduced": "HfFeCl6",
"formula_anonymous": "ABC6",
"energy": -88.94394335999999,
"energy_per_atom": -5.5589964599999995,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -81.57594336,
"band_gap": 0.4575,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 8.0002023,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:43.082000Z",
"spacegroup": 163
},
{
"id": "mp-1063610",
"created_at": "2022-09-04T14:44:56.018045Z",
"structure_string": "U1 V2\n1.0\n2.361568 -4.090356 0.000000\n2.361568 4.090356 0.000000\n0.000000 0.000000 2.590717\nU V\n1 2\ndirect\n0.000000 0.000000 0.000000 U\n0.333333 0.666667 0.500000 V\n0.666667 0.333333 0.500000 V\n",
"nsites": 3,
"nelements": 2,
"elements": [
"U",
"V"
],
"chemical_system": "U-V",
"density": 11.277269141879561,
"density_atomic": 0.05993903142517647,
"volume": 50.05085882552143,
"volume_molar": 10.047110566872611,
"formula_full": "U1 V2",
"formula_reduced": "UV2",
"formula_anonymous": "AB2",
"energy": -28.01556748,
"energy_per_atom": -9.338522493333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -28.01556748,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.3454533,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:48.748000Z",
"spacegroup": 191
},
{
"id": "mp-21486",
"created_at": "2022-09-04T14:44:56.020564Z",
"structure_string": "Tm4 In2\n1.0\n2.653879 -4.596654 0.000000\n2.653879 4.596654 0.000000\n0.000000 0.000000 6.697055\nTm In\n4 2\ndirect\n0.000000 0.000000 0.000000 Tm\n0.666667 0.333333 0.250000 Tm\n0.333333 0.666667 0.750000 Tm\n0.000000 0.000000 0.500000 Tm\n0.333333 0.666667 0.250000 In\n0.666667 0.333333 0.750000 In\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Tm",
"In"
],
"chemical_system": "In-Tm",
"density": 9.201100315533033,
"density_atomic": 0.03672099635736961,
"volume": 163.3942592844665,
"volume_molar": 16.399720479783234,
"formula_full": "Tm4 In2",
"formula_reduced": "Tm2In",
"formula_anonymous": "AB2",
"energy": -25.42730453,
"energy_per_atom": -4.237884088333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -25.42730453,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0142908,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:48.130000Z",
"spacegroup": 194
},
{
"id": "mp-1189777",
"created_at": "2022-09-04T14:44:56.025023Z",
"structure_string": "Cu1 C8 S4 N4 Cl1\n1.0\n-6.841289 6.841289 2.650463\n6.841289 -6.841289 2.650463\n6.841289 6.841289 -2.650463\nCu C S N Cl\n1 8 4 4 1\ndirect\n0.000000 0.000000 0.000000 Cu\n0.952590 0.144415 0.686377 C\n0.458039 0.266213 0.313623 C\n0.733787 0.047410 0.191825 C\n0.855585 0.541961 0.808175 C\n0.090327 0.148549 0.702495 C\n0.446054 0.387832 0.297505 C\n0.612168 0.909673 0.058222 C\n0.851451 0.553946 0.941778 C\n0.180371 0.114465 0.807823 S\n0.306642 0.372549 0.192177 S\n0.627451 0.819629 0.934094 S\n0.885535 0.693358 0.065906 S\n0.830840 0.141483 0.684233 N\n0.457249 0.146606 0.315767 N\n0.853394 0.169160 0.310643 N\n0.858517 0.542751 0.689357 N\n0.750000 0.250000 0.500000 Cl\n",
"nsites": 18,
"nelements": 5,
"elements": [
"Cu",
"C",
"S",
"N",
"Cl"
],
"chemical_system": "C-Cl-Cu-N-S",
"density": 1.2695683107127123,
"density_atomic": 0.03627562418659154,
"volume": 496.2009725156787,
"volume_molar": 16.60106723187949,
"formula_full": "Cu1 C8 S4 N4 Cl1",
"formula_reduced": "CuC8S4N4Cl",
"formula_anonymous": "ABC4D4E8",
"energy": -116.84362175,
"energy_per_atom": -6.491312319444444,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -112.77362175000002,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0073543,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:45.398000Z",
"spacegroup": 82
},
{
"id": "mp-17691",
"created_at": "2022-09-04T14:44:56.025543Z",
"structure_string": "Cu12 Sb4 S12\n1.0\n6.541463 0.000000 0.000000\n0.000000 8.099059 0.000000\n0.000000 0.000000 10.268644\nCu Sb S\n12 4 12\ndirect\n0.987587 0.076195 0.466642 Cu\n0.487587 0.423805 0.533358 Cu\n0.512413 0.923805 0.966642 Cu\n0.012413 0.576195 0.033358 Cu\n0.129955 0.367796 0.412277 Cu\n0.629955 0.132204 0.587723 Cu\n0.870045 0.867796 0.087723 Cu\n0.370045 0.632204 0.912277 Cu\n0.054531 0.169109 0.094441 Cu\n0.554531 0.330891 0.905559 Cu\n0.945469 0.669109 0.405559 Cu\n0.445469 0.830891 0.594441 Cu\n0.886289 0.725291 0.736021 Sb\n0.386289 0.774709 0.263979 Sb\n0.113711 0.225291 0.763979 Sb\n0.613711 0.274709 0.236021 Sb\n0.602087 0.681952 0.073773 S\n0.102087 0.818048 0.926227 S\n0.897913 0.318048 0.573773 S\n0.397913 0.181952 0.426227 S\n0.874833 0.049727 0.254818 S\n0.374833 0.450273 0.745182 S\n0.125167 0.549727 0.245182 S\n0.625167 0.950273 0.754818 S\n0.397721 0.161698 0.054528 S\n0.897721 0.338302 0.945472 S\n0.602279 0.661698 0.445472 S\n0.102279 0.838302 0.554528 S\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Cu",
"Sb",
"S"
],
"chemical_system": "Cu-S-Sb",
"density": 4.988585971883433,
"density_atomic": 0.051467785420938945,
"volume": 544.0296249585394,
"volume_molar": 11.700796353965478,
"formula_full": "Cu12 Sb4 S12",
"formula_reduced": "Cu3SbS3",
"formula_anonymous": "AB3C3",
"energy": -126.77600828,
"energy_per_atom": -4.5277145814285715,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -120.74000828,
"band_gap": 0.9982999999999996,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004608,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:43.969000Z",
"spacegroup": 19
},
{
"id": "mp-29012",
"created_at": "2022-09-04T14:44:56.026427Z",
"structure_string": "Tl6 Ag3 I9\n1.0\n7.398645 -5.377780 0.000000\n7.398645 5.377780 0.000000\n3.489751 0.000000 8.454709\nTl Ag I\n6 3 9\ndirect\n0.554256 0.327324 0.888256 Tl\n0.888256 0.554256 0.327324 Tl\n0.327324 0.888256 0.554256 Tl\n0.445744 0.672676 0.111744 Tl\n0.111744 0.445744 0.672676 Tl\n0.672676 0.111744 0.445744 Tl\n0.000000 0.000000 0.000000 Ag\n0.843599 0.843599 0.843599 Ag\n0.156401 0.156401 0.156401 Ag\n0.669345 0.910100 0.151456 I\n0.151456 0.669345 0.910100 I\n0.910100 0.151456 0.669345 I\n0.330655 0.089900 0.848544 I\n0.848544 0.330655 0.089900 I\n0.089900 0.848544 0.330655 I\n0.704749 0.704749 0.704749 I\n0.295251 0.295251 0.295251 I\n0.500000 0.500000 0.500000 I\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Tl",
"Ag",
"I"
],
"chemical_system": "Ag-I-Tl",
"density": 6.644273050338004,
"density_atomic": 0.026753993906671467,
"volume": 672.796744396038,
"volume_molar": 22.509314986792678,
"formula_full": "Tl6 Ag3 I9",
"formula_reduced": "Tl2AgI3",
"formula_anonymous": "AB2C3",
"energy": -49.18425925,
"energy_per_atom": -2.732458847222222,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -45.77325925,
"band_gap": 2.3701000000000003,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0082015,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:44.487000Z",
"spacegroup": 148
},
{
"id": "mp-866827",
"created_at": "2022-09-04T14:44:55.960763Z",
"structure_string": "Ca6 Sn4 S14\n1.0\n3.516263 -12.003813 0.000000\n3.516263 12.003813 0.000000\n0.000000 0.000000 6.928682\nCa Sn S\n6 4 14\ndirect\n0.791143 0.791143 0.250000 Ca\n0.208857 0.208857 0.750000 Ca\n0.959369 0.584431 0.250000 Ca\n0.415569 0.040631 0.750000 Ca\n0.040631 0.415569 0.750000 Ca\n0.584431 0.959369 0.250000 Ca\n0.360135 0.153373 0.250000 Sn\n0.846627 0.639865 0.750000 Sn\n0.639865 0.846627 0.750000 Sn\n0.153373 0.360135 0.250000 Sn\n0.379316 0.379316 0.250000 S\n0.620684 0.620684 0.750000 S\n0.357526 0.950058 0.250000 S\n0.049942 0.642474 0.750000 S\n0.642474 0.049942 0.750000 S\n0.950058 0.357526 0.250000 S\n0.363083 0.636917 0.000000 S\n0.363083 0.636917 0.500000 S\n0.636917 0.363083 0.000000 S\n0.636917 0.363083 0.500000 S\n0.073226 0.926774 0.500000 S\n0.073226 0.926774 0.000000 S\n0.926774 0.073226 0.500000 S\n0.926774 0.073226 0.000000 S\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Ca",
"Sn",
"S"
],
"chemical_system": "Ca-S-Sn",
"density": 3.30523398875815,
"density_atomic": 0.04103269524831213,
"volume": 584.8994284865369,
"volume_molar": 14.676444536622828,
"formula_full": "Ca6 Sn4 S14",
"formula_reduced": "Ca3Sn2S7",
"formula_anonymous": "A2B3C7",
"energy": -118.93644272999998,
"energy_per_atom": -4.9556851137499995,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -111.89444273,
"band_gap": 0.4588000000000001,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0004922,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:45.244000Z",
"spacegroup": 63
},
{
"id": "mp-1006151",
"created_at": "2022-09-04T14:44:56.127517Z",
"structure_string": "Na3 Pu1\n1.0\n0.000000 4.192058 4.192058\n4.192058 0.000000 4.192058\n4.192058 4.192058 0.000000\nNa Pu\n3 1\ndirect\n0.250000 0.250000 0.250000 Na\n0.750000 0.750000 0.750000 Na\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Pu\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Na",
"Pu"
],
"chemical_system": "Na-Pu",
"density": 3.5272724221190583,
"density_atomic": 0.027148644292068733,
"volume": 147.33700721728374,
"volume_molar": 22.182104915490466,
"formula_full": "Na3 Pu1",
"formula_reduced": "Na3Pu",
"formula_anonymous": "AB3",
"energy": -16.07889133,
"energy_per_atom": -4.0197228325,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -16.07889133,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.8371753,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:40.873000Z",
"spacegroup": 225
},
{
"id": "mp-1218518",
"created_at": "2022-09-04T14:44:56.217240Z",
"structure_string": "Sr3 La1 Nb3 O12\n1.0\n9.376925 -2.865982 0.000000\n9.376925 2.865982 0.000000\n8.500961 0.000000 4.886127\nSr La Nb O\n3 1 3 12\ndirect\n0.858996 0.858996 0.858996 Sr\n0.140702 0.140702 0.140702 Sr\n0.714602 0.714602 0.714602 Sr\n0.285285 0.285285 0.285285 La\n0.576526 0.576526 0.576526 Nb\n0.424475 0.424475 0.424475 Nb\n0.001319 0.001319 0.001319 Nb\n0.313120 0.887057 0.442274 O\n0.442274 0.313120 0.887057 O\n0.887057 0.442274 0.313120 O\n0.686720 0.122579 0.554432 O\n0.554432 0.686720 0.122579 O\n0.122579 0.554432 0.686720 O\n0.153898 0.701704 0.258932 O\n0.258932 0.153898 0.701704 O\n0.701704 0.258932 0.153898 O\n0.861971 0.292528 0.722879 O\n0.722879 0.861971 0.292528 O\n0.292528 0.722879 0.861971 O\n",
"nsites": 19,
"nelements": 4,
"elements": [
"Sr",
"La",
"Nb",
"O"
],
"chemical_system": "La-Nb-O-Sr",
"density": 5.516639962640982,
"density_atomic": 0.0723477373914097,
"volume": 262.6205142699596,
"volume_molar": 8.323882649459396,
"formula_full": "Sr3 La1 Nb3 O12",
"formula_reduced": "Sr3LaNb3O12",
"formula_anonymous": "AB3C3D12",
"energy": -163.68724810999998,
"energy_per_atom": -8.615118321578947,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -155.44324811,
"band_gap": 3.1136000000000004,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0014967,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:42.634000Z",
"spacegroup": 146
},
{
"id": "mp-2680",
"created_at": "2022-09-04T14:44:56.234624Z",
"structure_string": "La1 B6\n1.0\n4.154890 0.000000 0.000000\n0.000000 4.154890 0.000000\n0.000000 0.000000 4.154890\nLa B\n1 6\ndirect\n0.000000 0.000000 0.000000 La\n0.800415 0.500000 0.500000 B\n0.199585 0.500000 0.500000 B\n0.500000 0.500000 0.800415 B\n0.500000 0.500000 0.199585 B\n0.500000 0.199585 0.500000 B\n0.500000 0.800415 0.500000 B\n",
"nsites": 7,
"nelements": 2,
"elements": [
"La",
"B"
],
"chemical_system": "B-La",
"density": 4.71752146288909,
"density_atomic": 0.09759317537612047,
"volume": 71.72632689757516,
"volume_molar": 6.170657668213882,
"formula_full": "La1 B6",
"formula_reduced": "LaB6",
"formula_anonymous": "AB6",
"energy": -48.94792879,
"energy_per_atom": -6.9925612557142856,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -48.94792879,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0007286,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:48.109000Z",
"spacegroup": 221
}
]
}