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_per_atom&page=10186",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=energy_per_atom&page=10184",
"results": [
{
"id": "mp-13119",
"created_at": "2022-09-04T14:40:56.436826Z",
"structure_string": "Cd2 O2\n1.0\n1.842084 -3.190583 0.000000\n1.842084 3.190583 0.000000\n0.000000 0.000000 5.825275\nCd O\n2 2\ndirect\n0.666667 0.333333 0.499647 Cd\n0.333333 0.666667 0.999647 Cd\n0.666667 0.333333 0.885253 O\n0.333333 0.666667 0.385253 O\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Cd",
"O"
],
"chemical_system": "Cd-O",
"density": 6.22806858747616,
"density_atomic": 0.05841630539220684,
"volume": 68.47403260346604,
"volume_molar": 10.309006568572546,
"formula_full": "Cd2 O2",
"formula_reduced": "CdO",
"formula_anonymous": "AB",
"energy": -17.17166438,
"energy_per_atom": -4.292916095,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.79766438,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003262,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:59.362000Z",
"spacegroup": 186
},
{
"id": "mp-1209109",
"created_at": "2022-09-04T14:41:15.609876Z",
"structure_string": "Rh4 F24\n1.0\n5.004816 0.000000 0.000000\n0.000000 8.637162 0.000000\n0.000000 0.000000 9.452026\nRh F\n4 24\ndirect\n0.919282 0.750000 0.629100 Rh\n0.080718 0.250000 0.370900 Rh\n0.419282 0.250000 0.870900 Rh\n0.580718 0.750000 0.129100 Rh\n0.222859 0.750000 0.513221 F\n0.777141 0.250000 0.486779 F\n0.722859 0.250000 0.986779 F\n0.277141 0.750000 0.013221 F\n0.614793 0.750000 0.745489 F\n0.385207 0.250000 0.254511 F\n0.114793 0.250000 0.754511 F\n0.885207 0.750000 0.245489 F\n0.762426 0.596769 0.515778 F\n0.237574 0.403231 0.484222 F\n0.262426 0.403231 0.984222 F\n0.237574 0.096769 0.484222 F\n0.737574 0.596769 0.015778 F\n0.762426 0.903231 0.515778 F\n0.737574 0.903231 0.015778 F\n0.262426 0.096769 0.984222 F\n0.073674 0.596715 0.743338 F\n0.926326 0.403285 0.256662 F\n0.573674 0.403285 0.756662 F\n0.926326 0.096715 0.256662 F\n0.426326 0.596715 0.243338 F\n0.073674 0.903285 0.743338 F\n0.426326 0.903285 0.243338 F\n0.573674 0.096715 0.756662 F\n",
"nsites": 28,
"nelements": 2,
"elements": [
"Rh",
"F"
],
"chemical_system": "F-Rh",
"density": 3.525951883181079,
"density_atomic": 0.06852892874800125,
"volume": 408.5865708329297,
"volume_molar": 8.787735150720048,
"formula_full": "Rh4 F24",
"formula_reduced": "RhF6",
"formula_anonymous": "AB6",
"energy": -120.20138849,
"energy_per_atom": -4.292906731785714,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -109.11338849,
"band_gap": 0.5939999999999999,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 12.000023,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:13.806000Z",
"spacegroup": 62
},
{
"id": "mp-1216557",
"created_at": "2022-09-04T14:39:43.735165Z",
"structure_string": "Tm2 Al2 Ga2\n1.0\n2.162464 5.261812 0.000000\n-2.162464 5.261812 0.000000\n0.000000 4.409626 5.299756\nTm Al Ga\n2 2 2\ndirect\n0.547476 0.547476 0.199451 Tm\n0.452524 0.452524 0.800549 Tm\n0.163483 0.163483 0.384652 Al\n0.836517 0.836517 0.615348 Al\n0.836331 0.836331 0.208214 Ga\n0.163669 0.163669 0.791786 Ga\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Tm",
"Al",
"Ga"
],
"chemical_system": "Al-Ga-Tm",
"density": 7.314765950821585,
"density_atomic": 0.049748634673615254,
"volume": 120.60632496477672,
"volume_molar": 12.105137758069793,
"formula_full": "Tm2 Al2 Ga2",
"formula_reduced": "TmAlGa",
"formula_anonymous": "ABC",
"energy": -25.75676318,
"energy_per_atom": -4.292793863333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -25.75676318,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 5e-07,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:31.177000Z",
"spacegroup": 12
},
{
"id": "mp-1180425",
"created_at": "2022-09-04T14:47:13.775421Z",
"structure_string": "Mg2 N2 Cl6 O12\n1.0\n2.423601 6.195961 0.000000\n-2.423601 6.195961 0.000000\n0.000000 2.575725 14.871204\nMg N Cl O\n2 2 6 12\ndirect\n0.000000 0.000000 0.500000 Mg\n0.000000 0.000000 0.000000 Mg\n0.630541 0.369459 0.750000 N\n0.369459 0.630541 0.250000 N\n0.500000 0.500000 0.500000 Cl\n0.500000 0.500000 0.000000 Cl\n0.713183 0.093371 0.709338 Cl\n0.906629 0.286817 0.790662 Cl\n0.286817 0.906629 0.290662 Cl\n0.093371 0.713183 0.209338 Cl\n0.360604 0.020042 0.616835 O\n0.979958 0.639396 0.883165 O\n0.639396 0.979958 0.383165 O\n0.020042 0.360604 0.116835 O\n0.191149 0.159538 0.554661 O\n0.840462 0.808851 0.945339 O\n0.808851 0.840462 0.445339 O\n0.159538 0.191149 0.054661 O\n0.040841 0.103950 0.370853 O\n0.896050 0.959159 0.129147 O\n0.959159 0.896051 0.629147 O\n0.103950 0.040841 0.870853 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Mg",
"N",
"Cl",
"O"
],
"chemical_system": "Cl-Mg-N-O",
"density": 1.7895749524233726,
"density_atomic": 0.049257997850836274,
"volume": 446.62797839694366,
"volume_molar": 12.225711605730154,
"formula_full": "Mg2 N2 Cl6 O12",
"formula_reduced": "MgN(ClO2)3",
"formula_anonymous": "ABC3D6",
"energy": -94.43936061000002,
"energy_per_atom": -4.292698209545455,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -92.50736061,
"band_gap": 0.5863999999999999,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 8.003409,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:58.067000Z",
"spacegroup": 15
},
{
"id": "mp-1111205",
"created_at": "2022-09-04T14:41:19.747670Z",
"structure_string": "K2 Rb1 Tb1 Cl6\n1.0\n0.000000 5.748901 5.748901\n5.748901 0.000000 5.748901\n5.748901 5.748901 0.000000\nK Rb Tb Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Tb\n0.769981 0.230019 0.230019 Cl\n0.230019 0.230019 0.769981 Cl\n0.230019 0.769981 0.769981 Cl\n0.230019 0.769981 0.230019 Cl\n0.769981 0.230019 0.769981 Cl\n0.769981 0.769981 0.230019 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Rb",
"Tb",
"Cl"
],
"chemical_system": "Cl-K-Rb-Tb",
"density": 2.339204243948465,
"density_atomic": 0.026315735627431527,
"volume": 380.00077754147975,
"volume_molar": 22.884181712642377,
"formula_full": "K2 Rb1 Tb1 Cl6",
"formula_reduced": "K2RbTbCl6",
"formula_anonymous": "ABC2D6",
"energy": -42.9264566,
"energy_per_atom": -4.29264566,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -39.2424566,
"band_gap": 4.247,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0001399,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:08.663000Z",
"spacegroup": 225
},
{
"id": "mp-1206775",
"created_at": "2022-09-04T14:40:40.010347Z",
"structure_string": "Yb1 Cu1 Se2\n1.0\n1.939742 -3.359731 0.000000\n1.939742 3.359731 0.000000\n0.000000 0.000000 6.482201\nYb Cu Se\n1 1 2\ndirect\n0.000000 0.000000 0.500000 Yb\n0.000000 0.000000 0.000000 Cu\n0.333333 0.666667 0.213198 Se\n0.666667 0.333333 0.786802 Se\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Yb",
"Cu",
"Se"
],
"chemical_system": "Cu-Se-Yb",
"density": 7.753570588248627,
"density_atomic": 0.04734335446473856,
"volume": 84.48915471292194,
"volume_molar": 12.720139559365833,
"formula_full": "Yb1 Cu1 Se2",
"formula_reduced": "YbCuSe2",
"formula_anonymous": "ABC2",
"energy": -17.17041167,
"energy_per_atom": -4.2926029175,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -16.22641167,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.2363884,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:04.158000Z",
"spacegroup": 164
},
{
"id": "mp-1096930",
"created_at": "2022-09-04T14:46:13.209835Z",
"structure_string": "Cu1 Ag2 O2\n1.0\n-2.027106 2.027106 4.273164\n2.027106 -2.027106 4.273164\n2.027106 2.027106 -4.273164\nCu Ag O\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Cu\n0.750000 0.250000 0.500000 Ag\n0.250000 0.750000 0.500000 Ag\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Cu",
"Ag",
"O"
],
"chemical_system": "Ag-Cu-O",
"density": 7.359351036365496,
"density_atomic": 0.07118812163818536,
"volume": 70.23643671078402,
"volume_molar": 8.459474167063455,
"formula_full": "Cu1 Ag2 O2",
"formula_reduced": "Cu(AgO)2",
"formula_anonymous": "AB2C2",
"energy": -21.46254274,
"energy_per_atom": -4.292508548,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -20.08854274,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001218,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:21.382000Z",
"spacegroup": 139
},
{
"id": "mp-1198942",
"created_at": "2022-09-04T14:40:59.364319Z",
"structure_string": "Mg6 Ta4 Al36\n1.0\n0.000000 7.430096 7.430096\n7.430096 0.000000 7.430096\n7.430096 7.430096 0.000000\nMg Ta Al\n6 4 36\ndirect\n0.125000 0.625000 0.625000 Mg\n0.625000 0.125000 0.625000 Mg\n0.625000 0.625000 0.125000 Mg\n0.625000 0.625000 0.625000 Mg\n0.500000 0.500000 0.500000 Mg\n0.750000 0.750000 0.750000 Mg\n0.625000 0.125000 0.125000 Ta\n0.125000 0.625000 0.125000 Ta\n0.125000 0.125000 0.625000 Ta\n0.125000 0.125000 0.125000 Ta\n0.860652 0.860652 0.139348 Al\n0.139348 0.139348 0.860652 Al\n0.860652 0.139348 0.860652 Al\n0.139348 0.860652 0.139348 Al\n0.139348 0.860652 0.860652 Al\n0.860652 0.139348 0.139348 Al\n0.389348 0.389348 0.110652 Al\n0.110652 0.110652 0.389348 Al\n0.389348 0.110652 0.389348 Al\n0.110652 0.389348 0.110652 Al\n0.110652 0.389348 0.389348 Al\n0.389348 0.110652 0.110652 Al\n0.565564 0.301216 0.301216 Al\n0.301216 0.565564 0.832003 Al\n0.301216 0.832003 0.565564 Al\n0.832003 0.301216 0.301216 Al\n0.301216 0.301216 0.565564 Al\n0.565564 0.832003 0.301216 Al\n0.832003 0.565564 0.301216 Al\n0.301216 0.301216 0.832003 Al\n0.301216 0.565564 0.301216 Al\n0.832003 0.301216 0.565564 Al\n0.565564 0.301216 0.832003 Al\n0.301216 0.832003 0.301216 Al\n0.684436 0.948784 0.948784 Al\n0.948784 0.684436 0.417997 Al\n0.948784 0.417997 0.684436 Al\n0.417997 0.948784 0.948784 Al\n0.948784 0.948784 0.684436 Al\n0.684436 0.417997 0.948784 Al\n0.417997 0.684436 0.948784 Al\n0.948784 0.948784 0.417997 Al\n0.948784 0.684436 0.948784 Al\n0.417997 0.948784 0.684436 Al\n0.684436 0.948784 0.417997 Al\n0.948784 0.417997 0.948784 Al\n",
"nsites": 46,
"nelements": 3,
"elements": [
"Mg",
"Ta",
"Al"
],
"chemical_system": "Al-Mg-Ta",
"density": 3.726314014792483,
"density_atomic": 0.05607180812183714,
"volume": 820.376612433251,
"volume_molar": 10.74005094844566,
"formula_full": "Mg6 Ta4 Al36",
"formula_reduced": "Mg3(TaAl9)2",
"formula_anonymous": "A2B3C18",
"energy": -197.45383042000003,
"energy_per_atom": -4.2924745743478265,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -197.45383042000003,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.6608924,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:12.294000Z",
"spacegroup": 227
},
{
"id": "mp-568144",
"created_at": "2022-09-04T14:46:31.232758Z",
"structure_string": "Dy10 In6\n1.0\n-6.147481 6.147481 2.996603\n6.147481 -6.147481 2.996603\n6.147481 6.147481 -2.996603\nDy In\n10 6\ndirect\n0.719465 0.416748 0.136213 Dy\n0.280535 0.583252 0.863787 Dy\n0.583252 0.719465 0.302716 Dy\n0.219465 0.083252 0.302716 Dy\n0.916748 0.219465 0.136213 Dy\n0.750000 0.250000 0.500000 Dy\n0.250000 0.750000 0.500000 Dy\n0.780535 0.916748 0.697284 Dy\n0.416748 0.280535 0.697284 Dy\n0.083252 0.780535 0.863787 Dy\n0.838640 0.661360 0.500000 In\n0.338640 0.838640 0.177280 In\n0.750000 0.750000 0.000000 In\n0.661360 0.161360 0.822720 In\n0.161360 0.338640 0.500000 In\n0.250000 0.250000 0.000000 In\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Dy",
"In"
],
"chemical_system": "Dy-In",
"density": 8.482260255253243,
"density_atomic": 0.0353212765504877,
"volume": 452.9847605346268,
"volume_molar": 17.0496124379651,
"formula_full": "Dy10 In6",
"formula_reduced": "Dy5In3",
"formula_anonymous": "A3B5",
"energy": -68.67956802,
"energy_per_atom": -4.29247300125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -68.67956802,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0066924,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:35.715000Z",
"spacegroup": 140
},
{
"id": "mp-1222990",
"created_at": "2022-09-04T14:48:08.628390Z",
"structure_string": "La4 Mg1\n1.0\n-2.694409 -1.906910 1.906910\n-2.694409 1.906910 -1.906910\n2.694409 -8.427043 -8.427043\nLa Mg\n4 1\ndirect\n0.588415 0.588415 0.176830 La\n0.193867 0.193867 0.387734 La\n0.806133 0.806133 0.612266 La\n0.411585 0.411585 0.823170 La\n0.000000 0.000000 0.000000 Mg\n",
"nsites": 5,
"nelements": 2,
"elements": [
"La",
"Mg"
],
"chemical_system": "La-Mg",
"density": 5.560238474124801,
"density_atomic": 0.028869621254595676,
"volume": 173.19243490955267,
"volume_molar": 20.85978443184928,
"formula_full": "La4 Mg1",
"formula_reduced": "La4Mg",
"formula_anonymous": "AB4",
"energy": -21.4623251,
"energy_per_atom": -4.29246502,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -21.4623251,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0010257,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:28.914000Z",
"spacegroup": 139
},
{
"id": "mp-1111215",
"created_at": "2022-09-04T14:42:44.153460Z",
"structure_string": "K2 Rb1 Dy1 Cl6\n1.0\n0.000000 5.733664 5.733664\n5.733664 0.000000 5.733664\n5.733664 5.733664 0.000000\nK Rb Dy Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Dy\n0.770462 0.229538 0.229538 Cl\n0.229538 0.229538 0.770462 Cl\n0.229538 0.770462 0.770462 Cl\n0.229538 0.770462 0.229538 Cl\n0.770462 0.229538 0.770462 Cl\n0.770462 0.770462 0.229538 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Rb",
"Dy",
"Cl"
],
"chemical_system": "Cl-Dy-K-Rb",
"density": 2.373648373460996,
"density_atomic": 0.026526092937284685,
"volume": 376.9872941199021,
"volume_molar": 22.70270549921571,
"formula_full": "K2 Rb1 Dy1 Cl6",
"formula_reduced": "K2RbDyCl6",
"formula_anonymous": "ABC2D6",
"energy": -42.9239927,
"energy_per_atom": -4.29239927,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -39.2399927,
"band_gap": 4.5105,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0002859,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:54.907000Z",
"spacegroup": 225
},
{
"id": "mp-559470",
"created_at": "2022-09-04T14:39:59.715068Z",
"structure_string": "Ag2 Pb2 Br2 O2\n1.0\n4.027180 0.000000 0.000000\n0.000000 4.027180 0.000000\n0.000000 0.000000 14.241874\nAg Pb Br O\n2 2 2 2\ndirect\n0.500000 0.000000 0.407818 Ag\n0.000000 0.500000 0.592182 Ag\n0.000000 0.500000 0.084665 Pb\n0.500000 0.000000 0.915335 Pb\n0.000000 0.500000 0.385807 Br\n0.500000 0.000000 0.614193 Br\n0.000000 0.000000 0.000000 O\n0.500000 0.500000 0.000000 O\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Ag",
"Pb",
"Br",
"O"
],
"chemical_system": "Ag-Br-O-Pb",
"density": 5.909104663224649,
"density_atomic": 0.03463544445388324,
"volume": 230.97725830115803,
"volume_molar": 17.387219523105653,
"formula_full": "Ag2 Pb2 Br2 O2",
"formula_reduced": "AgPbBrO",
"formula_anonymous": "ABCD",
"energy": -34.33912115,
"energy_per_atom": -4.29239014375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -31.89712115,
"band_gap": 0.1882999999999999,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0001555,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:44.800000Z",
"spacegroup": 129
}
]
}