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=energy_above_hull&page=12120",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=energy_above_hull&page=12118",
"results": [
{
"id": "mp-1238298",
"created_at": "2022-09-04T14:46:41.548220Z",
"structure_string": "Na2 Ti3 Mn1 Si4 O22\n1.0\n5.697156 0.000000 0.000000\n0.569997 6.987560 0.000000\n2.516733 0.518854 11.951170\nNa Ti Mn Si O\n2 3 1 4 22\ndirect\n0.312287 0.708712 0.286389 Na\n0.792335 0.464946 0.275715 Na\n0.780820 0.846166 0.009396 Ti\n0.323918 0.926473 0.522087 Ti\n0.331878 0.190441 0.262650 Ti\n0.807457 0.977222 0.280519 Mn\n0.048853 0.291652 0.463359 Si\n0.852989 0.698930 0.496660 Si\n0.166968 0.537888 0.064611 Si\n0.263685 0.949644 0.058782 Si\n0.599719 0.804011 0.561028 O\n0.178699 0.995493 0.192699 O\n0.380903 0.360200 0.847520 O\n0.521598 0.031448 0.006637 O\n0.608869 0.139051 0.706185 O\n0.896743 0.742789 0.360788 O\n0.161032 0.161639 0.559157 O\n0.585175 0.386162 0.793463 O\n0.201654 0.376913 0.155730 O\n0.745363 0.816624 0.168887 O\n0.868232 0.833834 0.833325 O\n0.680911 0.733815 0.874849 O\n0.279439 0.382860 0.372908 O\n0.644314 0.199743 0.215439 O\n0.089124 0.760946 0.540579 O\n0.851521 0.462848 0.515156 O\n0.053704 0.989909 0.989555 O\n0.947408 0.164752 0.375460 O\n0.407328 0.092961 0.752255 O\n0.428624 0.972341 0.372654 O\n0.339861 0.707778 0.066326 O\n0.945590 0.570811 0.007233 O\n",
"nsites": 32,
"nelements": 5,
"elements": [
"Na",
"Ti",
"Mn",
"Si",
"O"
],
"chemical_system": "Mn-Na-O-Si-Ti",
"density": 2.474045898943559,
"density_atomic": 0.06725984972600926,
"volume": 475.7667483700258,
"volume_molar": 8.953544773786863,
"formula_full": "Na2 Ti3 Mn1 Si4 O22",
"formula_reduced": "Na2Ti3Mn(Si2O11)2",
"formula_anonymous": "AB2C3D4E22",
"energy": -233.51221951,
"energy_per_atom": -7.2972568596875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -228.30221951,
"band_gap": 0.8174,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.9961232,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:49.705000Z",
"spacegroup": 1
},
{
"id": "mp-1217974",
"created_at": "2022-09-04T14:46:41.559412Z",
"structure_string": "Ta1 B4 W3\n1.0\n3.113924 0.000000 0.000000\n0.000000 3.211427 0.000000\n0.000000 0.000000 8.599102\nTa B W\n1 4 3\ndirect\n0.000000 0.000000 0.145613 Ta\n0.000000 0.000000 0.440407 B\n0.000000 0.500000 0.938934 B\n0.500000 0.500000 0.056679 B\n0.500000 0.000000 0.562070 B\n0.000000 0.500000 0.644662 W\n0.500000 0.500000 0.358904 W\n0.500000 0.000000 0.852733 W\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ta",
"B",
"W"
],
"chemical_system": "B-Ta-W",
"density": 14.979260605497759,
"density_atomic": 0.09303167137592791,
"volume": 85.99222051674343,
"volume_molar": 6.473215702709861,
"formula_full": "Ta1 B4 W3",
"formula_reduced": "TaB4W3",
"formula_anonymous": "AB3C4",
"energy": -81.26070086,
"energy_per_atom": -10.1575876075,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -81.26070086,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.004323,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:48.033000Z",
"spacegroup": 25
},
{
"id": "mp-971712",
"created_at": "2022-09-04T14:46:41.602632Z",
"structure_string": "Zn1 Cd1 S2\n1.0\n4.007412 0.000000 0.000000\n0.000000 4.007412 0.000000\n0.000000 0.000000 5.747001\nZn Cd S\n1 1 2\ndirect\n0.000000 0.000000 0.500000 Zn\n0.500000 0.500000 0.000000 Cd\n0.500000 0.000000 0.276214 S\n0.000000 0.500000 0.723786 S\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Zn",
"Cd",
"S"
],
"chemical_system": "Cd-S-Zn",
"density": 4.353168346132271,
"density_atomic": 0.04334018192427265,
"volume": 92.29310589856573,
"volume_molar": 13.895051872468727,
"formula_full": "Zn1 Cd1 S2",
"formula_reduced": "ZnCdS2",
"formula_anonymous": "ABC2",
"energy": -14.27784278,
"energy_per_atom": -3.569460695,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -13.27184278,
"band_gap": 1.3685999999999998,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0002815,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:48.458000Z",
"spacegroup": 115
},
{
"id": "mp-1079782",
"created_at": "2022-09-04T14:46:41.675093Z",
"structure_string": "Cu1 N6 Cl2\n1.0\n-2.970762 2.970762 3.390884\n2.970762 -2.970762 3.390884\n2.970762 2.970762 -3.390884\nCu N Cl\n1 6 2\ndirect\n0.000000 0.000000 0.000000 Cu\n0.776270 0.223730 0.000000 N\n0.776270 0.776270 0.552539 N\n0.223730 0.223730 0.447461 N\n0.223730 0.776270 0.000000 N\n0.715111 0.715111 0.000000 N\n0.284889 0.284889 0.000000 N\n0.250000 0.750000 0.500000 Cl\n0.750000 0.250000 0.500000 Cl\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Cu",
"N",
"Cl"
],
"chemical_system": "Cl-Cu-N",
"density": 3.0309333788743626,
"density_atomic": 0.07518546064007964,
"volume": 119.70399493971188,
"volume_molar": 8.00971452290303,
"formula_full": "Cu1 N6 Cl2",
"formula_reduced": "Cu(N3Cl)2",
"formula_anonymous": "AB2C6",
"energy": -31.00557226,
"energy_per_atom": -3.4450635844444446,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -29.77757226,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 8.7633702,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:44.067000Z",
"spacegroup": 139
},
{
"id": "mp-14374",
"created_at": "2022-09-04T14:46:41.680834Z",
"structure_string": "Na3 Rh1 N6 O12\n1.0\n5.545323 -4.051410 0.000000\n5.545323 4.051410 0.000000\n2.585366 0.000000 6.362422\nNa Rh N O\n3 1 6 12\ndirect\n0.734763 0.734763 0.734763 Na\n0.265237 0.265237 0.265237 Na\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Rh\n0.174679 0.798373 0.798373 N\n0.798373 0.798373 0.174679 N\n0.798373 0.174679 0.798373 N\n0.201627 0.825321 0.201627 N\n0.825321 0.201627 0.201627 N\n0.201627 0.201627 0.825321 N\n0.282158 0.911544 0.282158 O\n0.717842 0.088456 0.717842 O\n0.717842 0.717842 0.088456 O\n0.088456 0.717842 0.717842 O\n0.628667 0.241644 0.241644 O\n0.241644 0.241644 0.628667 O\n0.241644 0.628667 0.241644 O\n0.758356 0.371333 0.758356 O\n0.371333 0.758356 0.758356 O\n0.758356 0.758356 0.371333 O\n0.911544 0.282158 0.282158 O\n0.282158 0.282158 0.911544 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Na",
"Rh",
"N",
"O"
],
"chemical_system": "N-Na-O-Rh",
"density": 2.601670066908393,
"density_atomic": 0.07695505813336165,
"volume": 285.8811432755261,
"volume_molar": 7.825529479249752,
"formula_full": "Na3 Rh1 N6 O12",
"formula_reduced": "Na3Rh(NO2)6",
"formula_anonymous": "AB3C6D12",
"energy": -144.87540929,
"energy_per_atom": -6.585245876818181,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -136.63140929,
"band_gap": 2.6076,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002985,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:49.788000Z",
"spacegroup": 166
},
{
"id": "mp-862878",
"created_at": "2022-09-04T14:46:41.713986Z",
"structure_string": "Pm1 Ag3\n1.0\n0.000000 3.531734 3.531734\n3.531734 0.000000 3.531734\n3.531734 3.531734 0.000000\nPm Ag\n1 3\ndirect\n0.000000 0.000000 0.000000 Pm\n0.250000 0.250000 0.250000 Ag\n0.750000 0.750000 0.750000 Ag\n0.500000 0.500000 0.500000 Ag\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Pm",
"Ag"
],
"chemical_system": "Ag-Pm",
"density": 8.832053482966074,
"density_atomic": 0.04540106460128693,
"volume": 88.10366089711951,
"volume_molar": 13.26431618484404,
"formula_full": "Pm1 Ag3",
"formula_reduced": "PmAg3",
"formula_anonymous": "AB3",
"energy": -14.06139332,
"energy_per_atom": -3.51534833,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.06139332,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0030606,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:46.117000Z",
"spacegroup": 225
},
{
"id": "mp-1234061",
"created_at": "2022-09-04T14:46:41.719026Z",
"structure_string": "Mg1 Nb2 Te4 Cl10 O1\n1.0\n6.706671 0.026426 0.465579\n2.385587 8.465170 1.554132\n-0.164322 0.017475 9.800207\nMg Nb Te Cl O\n1 2 4 10 1\ndirect\n0.219717 0.054955 0.421273 Mg\n0.536271 0.639778 0.637437 Nb\n0.484781 0.380373 0.372026 Nb\n0.194973 0.891362 0.137373 Te\n0.087002 0.185915 0.973996 Te\n0.888336 0.809938 0.010575 Te\n0.808833 0.093679 0.834171 Te\n0.408386 0.165435 0.231941 Cl\n0.355144 0.505446 0.801159 Cl\n0.838264 0.184005 0.420363 Cl\n0.145459 0.534871 0.301695 Cl\n0.626331 0.487463 0.169959 Cl\n0.343494 0.209267 0.561478 Cl\n0.867813 0.474970 0.707678 Cl\n0.645951 0.806508 0.449166 Cl\n0.172470 0.823000 0.562786 Cl\n0.546722 0.821823 0.794450 Cl\n0.515238 0.502641 0.498188 O\n",
"nsites": 18,
"nelements": 5,
"elements": [
"Mg",
"Nb",
"Te",
"Cl",
"O"
],
"chemical_system": "Cl-Mg-Nb-O-Te",
"density": 3.2570447389444706,
"density_atomic": 0.032359634569210434,
"volume": 556.2485559440356,
"volume_molar": 18.610039452453986,
"formula_full": "Mg1 Nb2 Te4 Cl10 O1",
"formula_reduced": "MgNb2Te4Cl10O",
"formula_anonymous": "ABC2D4E10",
"energy": -84.07337174999999,
"energy_per_atom": -4.670742874999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -77.24637175,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.9362025,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:42.815000Z",
"spacegroup": 1
},
{
"id": "mp-1103537",
"created_at": "2022-09-04T14:46:42.237540Z",
"structure_string": "Y4 Fe2 C8\n1.0\n0.000000 0.000000 5.043798\n3.744054 4.844095 2.521899\n-3.744054 4.844095 2.521899\nY Fe C\n4 2 8\ndirect\n0.145641 0.196857 0.511862 Y\n0.854359 0.803143 0.488138 Y\n0.645641 0.511862 0.196857 Y\n0.354359 0.488138 0.803143 Y\n0.750000 0.000000 0.000000 Fe\n0.250000 0.000000 0.000000 Fe\n0.371791 0.791510 0.464908 C\n0.628209 0.208490 0.535092 C\n0.871791 0.464908 0.791510 C\n0.128209 0.535092 0.208490 C\n0.423047 0.911550 0.242356 C\n0.576953 0.088450 0.757644 C\n0.923047 0.242356 0.911550 C\n0.076953 0.757644 0.088450 C\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Y",
"Fe",
"C"
],
"chemical_system": "C-Fe-Y",
"density": 5.113552661904217,
"density_atomic": 0.07652187436261432,
"volume": 182.95422213076196,
"volume_molar": 7.869829130769683,
"formula_full": "Y4 Fe2 C8",
"formula_reduced": "Y2FeC4",
"formula_anonymous": "AB2C4",
"energy": -120.62968499,
"energy_per_atom": -8.616406070714286,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -120.62968499,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0011518,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:50.420000Z",
"spacegroup": 72
},
{
"id": "mp-29715",
"created_at": "2022-09-04T14:46:41.494144Z",
"structure_string": "Te2 W2 Br18\n1.0\n12.171273 0.000000 0.000000\n0.000000 7.112906 0.000000\n0.000000 2.409925 10.102377\nTe W Br\n2 2 18\ndirect\n0.250000 0.756993 0.468560 Te\n0.750000 0.243007 0.531440 Te\n0.250000 0.644545 0.853641 W\n0.750000 0.355455 0.146359 W\n0.606826 0.452528 0.305501 Br\n0.106826 0.547472 0.694499 Br\n0.393174 0.547472 0.694499 Br\n0.893174 0.452528 0.305501 Br\n0.750000 0.684989 0.011279 Br\n0.250000 0.315011 0.988721 Br\n0.750000 0.518970 0.651116 Br\n0.250000 0.481030 0.348884 Br\n0.750000 0.021469 0.315283 Br\n0.250000 0.978531 0.684717 Br\n0.898856 0.245308 0.025453 Br\n0.398856 0.754692 0.974547 Br\n0.101144 0.754692 0.974547 Br\n0.601144 0.245308 0.025453 Br\n0.906359 0.050532 0.664313 Br\n0.406359 0.949468 0.335687 Br\n0.093641 0.949468 0.335687 Br\n0.593641 0.050532 0.664313 Br\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Te",
"W",
"Br"
],
"chemical_system": "Br-Te-W",
"density": 3.9133840719418536,
"density_atomic": 0.025154520104341698,
"volume": 874.594303876335,
"volume_molar": 23.940590935625018,
"formula_full": "Te2 W2 Br18",
"formula_reduced": "TeWBr9",
"formula_anonymous": "ABC9",
"energy": -80.69718907,
"energy_per_atom": -3.6680540486363635,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -71.08518907,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.0070788,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:48.248000Z",
"spacegroup": 11
},
{
"id": "mp-1188624",
"created_at": "2022-09-04T14:46:41.547354Z",
"structure_string": "Tb12 Ga2 Co4\n1.0\n-4.650714 4.823903 4.946228\n4.650714 -4.823903 4.946228\n4.650714 4.823903 -4.946228\nTb Ga Co\n12 2 4\ndirect\n0.037836 0.736149 0.301687 Tb\n0.962164 0.263851 0.698313 Tb\n0.565537 0.263851 0.301687 Tb\n0.434463 0.736149 0.698313 Tb\n0.674264 0.863377 0.189113 Tb\n0.325736 0.514849 0.189113 Tb\n0.325736 0.136623 0.810887 Tb\n0.674264 0.485151 0.810887 Tb\n0.180790 0.218000 0.398790 Tb\n0.819210 0.218000 0.037210 Tb\n0.180790 0.782000 0.962790 Tb\n0.819210 0.782000 0.601210 Tb\n0.000000 0.500000 0.500000 Ga\n0.500000 0.000000 0.500000 Ga\n0.659174 0.500000 0.159174 Co\n0.340826 0.500000 0.840826 Co\n0.885934 0.885934 0.000000 Co\n0.114066 0.114066 0.000000 Co\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Tb",
"Ga",
"Co"
],
"chemical_system": "Co-Ga-Tb",
"density": 8.538198882934447,
"density_atomic": 0.04055273809640165,
"volume": 443.8664525490373,
"volume_molar": 14.850145866067574,
"formula_full": "Tb12 Ga2 Co4",
"formula_reduced": "Tb6GaCo2",
"formula_anonymous": "AB2C6",
"energy": -95.04563954,
"energy_per_atom": -5.280313307777778,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -95.04563954,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.009637,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:43.664000Z",
"spacegroup": 71
},
{
"id": "mp-1245976",
"created_at": "2022-09-04T14:46:41.558493Z",
"structure_string": "Fe6 Si2 N8\n1.0\n6.228282 0.000000 0.000000\n0.000000 4.767385 0.000000\n0.000000 0.000000 5.974659\nFe Si N\n6 2 8\ndirect\n0.759765 0.658927 0.287800 Fe\n0.240235 0.658927 0.287800 Fe\n0.740235 0.341073 0.787800 Fe\n0.259765 0.341073 0.787800 Fe\n0.500000 0.819092 0.001153 Fe\n0.000000 0.180908 0.501153 Fe\n0.000000 0.855152 0.985100 Si\n0.500000 0.144848 0.485100 Si\n0.730316 0.349975 0.464163 N\n0.269684 0.349975 0.464163 N\n0.769684 0.650025 0.964163 N\n0.230316 0.650025 0.964163 N\n0.500000 0.852670 0.316967 N\n0.000000 0.147330 0.816967 N\n0.500000 0.089808 0.777852 N\n0.000000 0.910192 0.277852 N\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Fe",
"Si",
"N"
],
"chemical_system": "Fe-N-Si",
"density": 4.7109636286459935,
"density_atomic": 0.09018999559065607,
"volume": 177.4032684580555,
"volume_molar": 6.67717158711549,
"formula_full": "Fe6 Si2 N8",
"formula_reduced": "Fe3SiN4",
"formula_anonymous": "AB3C4",
"energy": -132.32148591,
"energy_per_atom": -8.270092869375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -129.43348591,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.9869328,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:45.299000Z",
"spacegroup": 31
},
{
"id": "mp-1184238",
"created_at": "2022-09-04T14:46:41.560084Z",
"structure_string": "Er1 Mg1 Tl2\n1.0\n0.000000 3.724577 3.724577\n3.724577 0.000000 3.724577\n3.724577 3.724577 0.000000\nEr Mg Tl\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Er\n0.000000 0.000000 0.000000 Mg\n0.250000 0.250000 0.250000 Tl\n0.750000 0.750000 0.750000 Tl\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Er",
"Mg",
"Tl"
],
"chemical_system": "Er-Mg-Tl",
"density": 9.646698635143009,
"density_atomic": 0.038707856684438234,
"volume": 103.33819391266178,
"volume_molar": 15.55792874065561,
"formula_full": "Er1 Mg1 Tl2",
"formula_reduced": "ErMgTl2",
"formula_anonymous": "ABC2",
"energy": -11.63485691,
"energy_per_atom": -2.9087142275,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -11.63485691,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.007979,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:46.892000Z",
"spacegroup": 225
}
]
}