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=formation_energy&page=12194",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=formation_energy&page=12192",
"results": [
{
"id": "mp-863682",
"created_at": "2022-09-04T14:48:21.450997Z",
"structure_string": "Pm2 Ga6\n1.0\n3.216714 -5.571512 0.000000\n3.216714 5.571512 0.000000\n0.000000 0.000000 4.613603\nPm Ga\n2 6\ndirect\n0.333333 0.666667 0.750000 Pm\n0.666667 0.333333 0.250000 Pm\n0.144399 0.288798 0.250000 Ga\n0.711202 0.855601 0.250000 Ga\n0.144399 0.855601 0.250000 Ga\n0.855601 0.711202 0.750000 Ga\n0.288798 0.144399 0.750000 Ga\n0.855601 0.144399 0.750000 Ga\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Pm",
"Ga"
],
"chemical_system": "Ga-Pm",
"density": 7.112690354153875,
"density_atomic": 0.04837647847192868,
"volume": 165.36962285591218,
"volume_molar": 12.448489328330204,
"formula_full": "Pm2 Ga6",
"formula_reduced": "PmGa3",
"formula_anonymous": "AB3",
"energy": -32.24173378,
"energy_per_atom": -4.0302167225,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.24173378,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001415,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:25.328000Z",
"spacegroup": 194
},
{
"id": "mp-1046808",
"created_at": "2022-09-04T14:48:21.453418Z",
"structure_string": "Sr4 Y2 Al2 Ni4 O14\n1.0\n-2.761441 2.825108 10.979922\n2.761441 -2.825108 10.979922\n2.761441 2.825108 -10.979922\nSr Y Al Ni O\n4 2 2 4 14\ndirect\n0.830574 0.832875 0.964313 Sr\n0.169426 0.133739 0.002301 Sr\n0.631438 0.633739 0.964313 Sr\n0.368562 0.332875 0.002301 Sr\n0.500000 0.482809 0.982809 Y\n0.000000 0.982809 0.982809 Y\n0.170589 0.761243 0.431832 Al\n0.829411 0.261243 0.590655 Al\n0.916616 0.395779 0.480987 Ni\n0.083384 0.564371 0.479164 Ni\n0.585207 0.064371 0.480987 Ni\n0.414793 0.895779 0.479164 Ni\n0.906819 0.577982 0.984801 O\n0.093181 0.077982 0.671163 O\n0.695874 0.675004 0.498653 O\n0.304126 0.802779 0.979130 O\n0.323650 0.302779 0.498653 O\n0.676350 0.175004 0.979130 O\n0.173391 0.152692 0.463360 O\n0.826609 0.289969 0.979302 O\n0.810668 0.789969 0.463360 O\n0.189332 0.652692 0.979302 O\n0.374935 0.776828 0.508863 O\n0.625065 0.133929 0.401893 O\n0.232035 0.633929 0.508863 O\n0.767965 0.276828 0.401893 O\n",
"nsites": 26,
"nelements": 5,
"elements": [
"Sr",
"Y",
"Al",
"Ni",
"O"
],
"chemical_system": "Al-Ni-O-Sr-Y",
"density": 5.045196563835442,
"density_atomic": 0.0758827878595691,
"volume": 342.63369511563485,
"volume_molar": 7.936109004251069,
"formula_full": "Sr4 Y2 Al2 Ni4 O14",
"formula_reduced": "Sr2YAlNi2O7",
"formula_anonymous": "ABC2D2E7",
"energy": -190.41252188,
"energy_per_atom": -7.323558533846154,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -170.63052188,
"band_gap": 0.5647000000000002,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 8.0001666,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:01.841000Z",
"spacegroup": 46
},
{
"id": "mp-1204630",
"created_at": "2022-09-04T14:48:21.455079Z",
"structure_string": "Ba4 Sn2 S8 O22\n1.0\n7.292424 -0.257279 -0.183128\n-1.664643 5.426575 -1.510750\n-0.104323 0.838812 17.273028\nBa Sn S O\n4 2 8 22\ndirect\n0.959397 0.657543 0.373010 Ba\n0.040603 0.342457 0.626990 Ba\n0.805129 0.472369 0.077293 Ba\n0.194871 0.527631 0.922707 Ba\n0.360437 0.850196 0.174499 Sn\n0.639563 0.149804 0.825501 Sn\n0.303991 0.389994 0.451375 S\n0.696009 0.610006 0.548625 S\n0.993186 0.070878 0.208719 S\n0.006814 0.929122 0.791281 S\n0.286093 0.241584 0.081389 S\n0.713907 0.758416 0.918611 S\n0.478293 0.633545 0.344852 S\n0.521707 0.366455 0.655148 S\n0.576237 0.471974 0.298031 O\n0.423763 0.528026 0.701969 O\n0.215550 0.572517 0.494677 O\n0.784450 0.427483 0.505323 O\n0.013823 0.858709 0.246975 O\n0.986177 0.141291 0.753025 O\n0.401698 0.477340 0.145144 O\n0.598302 0.522660 0.854856 O\n0.609006 0.811198 0.414225 O\n0.390994 0.188802 0.585775 O\n0.100513 0.259718 0.050713 O\n0.899487 0.740282 0.949287 O\n0.976668 0.276919 0.276230 O\n0.023332 0.723081 0.723770 O\n0.840433 0.861233 0.569631 O\n0.159567 0.138767 0.430369 O\n0.413985 0.217124 0.016491 O\n0.586015 0.782876 0.983509 O\n0.799409 0.962482 0.156800 O\n0.200591 0.037518 0.843200 O\n0.184493 0.748690 0.075573 O\n0.815507 0.251310 0.924427 O\n",
"nsites": 36,
"nelements": 4,
"elements": [
"Ba",
"Sn",
"S",
"O"
],
"chemical_system": "Ba-O-S-Sn",
"density": 3.379790779420008,
"density_atomic": 0.05251651761566166,
"volume": 685.4986132832227,
"volume_molar": 11.467136499934368,
"formula_full": "Ba4 Sn2 S8 O22",
"formula_reduced": "Ba2SnS4O11",
"formula_anonymous": "AB2C4D11",
"energy": -227.2615269,
"energy_per_atom": -6.312820191666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -212.1475269,
"band_gap": 0.0704,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9966446,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:03.125000Z",
"spacegroup": 2
},
{
"id": "mp-1073613",
"created_at": "2022-09-04T14:48:21.456915Z",
"structure_string": "Mg4 Si8\n1.0\n4.535082 0.000000 0.000000\n-0.127386 6.226465 0.000000\n-2.122578 -1.244616 7.817461\nMg Si\n4 8\ndirect\n0.891135 0.729862 0.894374 Mg\n0.076501 0.615329 0.263577 Mg\n0.583398 0.304819 0.276291 Mg\n0.663860 0.131738 0.698363 Mg\n0.995103 0.166870 0.087862 Si\n0.489652 0.664703 0.080643 Si\n0.197698 0.423075 0.566214 Si\n0.622308 0.896192 0.368771 Si\n0.220826 0.353242 0.861007 Si\n0.443385 0.024177 0.966499 Si\n0.128882 0.065177 0.378996 Si\n0.687753 0.624783 0.557672 Si\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Mg",
"Si"
],
"chemical_system": "Mg-Si",
"density": 2.4214920759066505,
"density_atomic": 0.054361174022219835,
"volume": 220.7457843919093,
"volume_molar": 11.078018214872406,
"formula_full": "Mg4 Si8",
"formula_reduced": "MgSi2",
"formula_anonymous": "AB2",
"energy": -47.03403201,
"energy_per_atom": -3.9195026674999998,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -47.60203201,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0082494,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:54.666000Z",
"spacegroup": 1
},
{
"id": "mp-18888",
"created_at": "2022-09-04T14:48:21.459477Z",
"structure_string": "Sr4 Cd2 W2 O12\n1.0\n5.828877 0.000000 0.000000\n0.000000 6.063824 0.000000\n0.000000 0.000000 8.335159\nSr Cd W O\n4 2 2 12\ndirect\n0.500000 0.790204 0.763964 Sr\n0.500000 0.790204 0.236036 Sr\n0.000000 0.209796 0.736036 Sr\n0.000000 0.209796 0.263964 Sr\n0.000000 0.726056 0.500000 Cd\n0.500000 0.273944 0.000000 Cd\n0.500000 0.237283 0.500000 W\n0.000000 0.762717 0.000000 W\n0.500000 0.219086 0.733038 O\n0.500000 0.219086 0.266962 O\n0.000000 0.780914 0.766962 O\n0.000000 0.780914 0.233038 O\n0.733747 0.001747 0.500000 O\n0.266253 0.001747 0.500000 O\n0.742767 0.451017 0.500000 O\n0.257233 0.451017 0.500000 O\n0.242767 0.548983 0.000000 O\n0.757233 0.548983 0.000000 O\n0.766253 0.998253 0.000000 O\n0.233747 0.998253 0.000000 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Sr",
"Cd",
"W",
"O"
],
"chemical_system": "Cd-O-Sr-W",
"density": 6.397200301501321,
"density_atomic": 0.06788668911216136,
"volume": 294.6085640876712,
"volume_molar": 8.870871210187186,
"formula_full": "Sr4 Cd2 W2 O12",
"formula_reduced": "Sr2CdWO6",
"formula_anonymous": "ABC2D6",
"energy": -144.78750926,
"energy_per_atom": -7.239375463,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -127.66750926,
"band_gap": 3.5122,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002321,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:47.243000Z",
"spacegroup": 59
},
{
"id": "mp-1215450",
"created_at": "2022-09-04T14:48:21.464505Z",
"structure_string": "Zn1 Ge1 As2\n1.0\n6.695084 -2.035039 0.000000\n6.695084 2.035039 0.000000\n6.076513 0.000000 3.470090\nZn Ge As\n1 1 2\ndirect\n0.491938 0.491938 0.491938 Zn\n0.007118 0.007118 0.007118 Ge\n0.129304 0.129304 0.129304 As\n0.621640 0.621640 0.621640 As\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Zn",
"Ge",
"As"
],
"chemical_system": "As-Ge-Zn",
"density": 5.055679037010112,
"density_atomic": 0.0423019599819344,
"volume": 94.55826637130411,
"volume_molar": 14.236079752739196,
"formula_full": "Zn1 Ge1 As2",
"formula_reduced": "ZnGeAs2",
"formula_anonymous": "ABC2",
"energy": -15.63159802,
"energy_per_atom": -3.907899505,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.63159802,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 4.19e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:03.635000Z",
"spacegroup": 160
},
{
"id": "mp-753614",
"created_at": "2022-09-04T14:48:21.503307Z",
"structure_string": "Fe1 P2 S6\n1.0\n5.084751 2.935438 0.000000\n-5.084751 2.935438 0.000000\n0.000000 0.018439 7.027742\nFe P S\n1 2 6\ndirect\n0.673669 0.326331 0.500000 Fe\n0.001165 0.001028 0.652579 P\n0.998972 0.998835 0.347421 P\n0.684076 0.045953 0.720737 S\n0.361033 0.046973 0.277881 S\n0.356304 0.315592 0.721577 S\n0.954047 0.315924 0.279263 S\n0.684408 0.643696 0.278423 S\n0.953027 0.638967 0.722119 S\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Fe",
"P",
"S"
],
"chemical_system": "Fe-P-S",
"density": 2.4551499128548304,
"density_atomic": 0.04289968486587173,
"volume": 209.79175087507065,
"volume_molar": 14.037727267294763,
"formula_full": "Fe1 P2 S6",
"formula_reduced": "Fe(PS3)2",
"formula_anonymous": "AB2C6",
"energy": -48.62050703,
"energy_per_atom": -5.402278558888889,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -45.60250703,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9987634,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:34.287000Z",
"spacegroup": 5
},
{
"id": "mp-1034797",
"created_at": "2022-09-04T14:48:21.465118Z",
"structure_string": "Rb1 Na1 Mg14 O15\n1.0\n4.212568 0.000000 0.000000\n0.000000 8.376669 0.000000\n0.000000 0.000000 10.410615\nRb Na Mg O\n1 1 14 15\ndirect\n0.000000 0.500000 0.446394 Rb\n0.000000 0.000000 0.020172 Na\n0.000000 0.500000 0.981823 Mg\n0.000000 0.000000 0.481249 Mg\n0.500000 0.759784 0.985031 Mg\n0.500000 0.240216 0.985031 Mg\n0.500000 0.754743 0.569980 Mg\n0.500000 0.245257 0.569980 Mg\n0.500000 0.000000 0.783442 Mg\n0.500000 0.500000 0.768510 Mg\n0.500000 0.000000 0.273111 Mg\n0.500000 0.500000 0.175411 Mg\n0.000000 0.728549 0.768849 Mg\n0.000000 0.271451 0.768849 Mg\n0.000000 0.751000 0.186439 Mg\n0.000000 0.249000 0.186439 Mg\n0.000000 0.500000 0.787322 O\n0.000000 0.000000 0.260165 O\n0.000000 0.500000 0.186589 O\n0.500000 0.766125 0.769723 O\n0.500000 0.233875 0.769723 O\n0.500000 0.751233 0.198501 O\n0.500000 0.248767 0.198501 O\n0.500000 0.000000 0.965701 O\n0.500000 0.500000 0.979266 O\n0.500000 0.000000 0.473915 O\n0.500000 0.500000 0.577459 O\n0.000000 0.744198 0.982161 O\n0.000000 0.255802 0.982161 O\n0.000000 0.798339 0.584054 O\n0.000000 0.201661 0.584054 O\n",
"nsites": 31,
"nelements": 4,
"elements": [
"Rb",
"Na",
"Mg",
"O"
],
"chemical_system": "Mg-Na-O-Rb",
"density": 3.1131226047535576,
"density_atomic": 0.0843853446853181,
"volume": 367.36236743005895,
"volume_molar": 7.136477053518241,
"formula_full": "Rb1 Na1 Mg14 O15",
"formula_reduced": "RbNaMg14O15",
"formula_anonymous": "ABC14D15",
"energy": -181.86025967,
"energy_per_atom": -5.866459989354839,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -171.55525967,
"band_gap": 4.143700000000001,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0044998,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:26.537000Z",
"spacegroup": 25
},
{
"id": "mp-1186323",
"created_at": "2022-09-04T14:48:21.466954Z",
"structure_string": "Nd1 Sm3\n1.0\n5.156853 0.000000 0.000000\n0.000000 5.156853 0.000000\n0.000000 0.000000 5.156853\nNd Sm\n1 3\ndirect\n0.000000 0.000000 0.000000 Nd\n0.000000 0.500000 0.500000 Sm\n0.500000 0.000000 0.500000 Sm\n0.500000 0.500000 0.000000 Sm\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Nd",
"Sm"
],
"chemical_system": "Nd-Sm",
"density": 7.208531067098972,
"density_atomic": 0.029167938543446976,
"volume": 137.13687698710066,
"volume_molar": 20.646439415078124,
"formula_full": "Nd1 Sm3",
"formula_reduced": "NdSm3",
"formula_anonymous": "AB3",
"energy": -18.88286642,
"energy_per_atom": -4.720716605,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -18.88286642,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002969,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:02.172000Z",
"spacegroup": 221
},
{
"id": "mp-630866",
"created_at": "2022-09-04T14:48:21.472095Z",
"structure_string": "Fe3 Pb4 Cl1 O8\n1.0\n3.976381 0.000000 0.000000\n0.000000 3.976381 0.000000\n0.000000 0.000000 15.593986\nFe Pb Cl O\n3 4 1 8\ndirect\n0.500000 0.500000 0.753463 Fe\n0.500000 0.500000 0.246537 Fe\n0.500000 0.500000 0.500000 Fe\n0.000000 0.000000 0.612646 Pb\n0.000000 0.000000 0.119240 Pb\n0.000000 0.000000 0.387354 Pb\n0.000000 0.000000 0.880760 Pb\n0.500000 0.500000 0.000000 Cl\n0.500000 0.000000 0.500000 O\n0.500000 0.500000 0.632245 O\n0.000000 0.500000 0.786675 O\n0.500000 0.500000 0.367755 O\n0.500000 0.000000 0.213325 O\n0.000000 0.500000 0.500000 O\n0.000000 0.500000 0.213325 O\n0.500000 0.000000 0.786675 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Fe",
"Pb",
"Cl",
"O"
],
"chemical_system": "Cl-Fe-O-Pb",
"density": 7.810750962803072,
"density_atomic": 0.06489135797871293,
"volume": 246.56596037408661,
"volume_molar": 9.280343249983323,
"formula_full": "Fe3 Pb4 Cl1 O8",
"formula_reduced": "Fe3Pb4ClO8",
"formula_anonymous": "AB3C4D8",
"energy": -106.29026674,
"energy_per_atom": -6.64314167125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -93.41226674,
"band_gap": 1.1204999999999998,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 15.006831,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:51.926000Z",
"spacegroup": 123
},
{
"id": "mp-1215856",
"created_at": "2022-09-04T14:48:21.587937Z",
"structure_string": "Yb1 Ho2 Se4\n1.0\n4.118928 0.000000 0.000000\n0.000000 7.023918 0.000000\n0.000000 2.233389 6.840190\nYb Ho Se\n1 2 4\ndirect\n0.000000 0.500000 0.500000 Yb\n0.000000 0.000000 0.000000 Ho\n0.500000 0.500000 0.000000 Ho\n0.500000 0.756272 0.243190 Se\n0.000000 0.257922 0.233409 Se\n0.500000 0.243728 0.756810 Se\n0.000000 0.742078 0.766591 Se\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Yb",
"Ho",
"Se"
],
"chemical_system": "Ho-Se-Yb",
"density": 6.870109308030561,
"density_atomic": 0.035372539602639794,
"volume": 197.89362252852214,
"volume_molar": 17.024903576758106,
"formula_full": "Yb1 Ho2 Se4",
"formula_reduced": "Yb(HoSe2)2",
"formula_anonymous": "AB2C4",
"energy": -40.06737593,
"energy_per_atom": -5.723910847142856,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -38.17937593,
"band_gap": 1.0812000000000002,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0013673,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:46.758000Z",
"spacegroup": 10
},
{
"id": "mp-1073115",
"created_at": "2022-09-04T14:48:21.721477Z",
"structure_string": "Mg4 Si6\n1.0\n2.195331 5.022798 0.000000\n-2.195331 5.022798 0.000000\n0.000000 4.033407 8.034872\nMg Si\n4 6\ndirect\n0.155635 0.155635 0.973781 Mg\n0.844365 0.844365 0.026219 Mg\n0.122570 0.122570 0.622052 Mg\n0.877430 0.877430 0.377948 Mg\n0.409704 0.409704 0.646037 Si\n0.210773 0.210773 0.285434 Si\n0.789227 0.789227 0.714566 Si\n0.590296 0.590296 0.353963 Si\n0.517742 0.517742 0.843325 Si\n0.482258 0.482258 0.156675 Si\n",
"nsites": 10,
"nelements": 2,
"elements": [
"Mg",
"Si"
],
"chemical_system": "Mg-Si",
"density": 2.4902325586321497,
"density_atomic": 0.056434582827124366,
"volume": 177.19631295287368,
"volume_molar": 10.671011387552165,
"formula_full": "Mg4 Si6",
"formula_reduced": "Mg2Si3",
"formula_anonymous": "A2B3",
"energy": -37.66512949,
"energy_per_atom": -3.766512949,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -38.09112949,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0015145,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:52.025000Z",
"spacegroup": 12
}
]
}