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_per_atom&page=95",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=formation_energy_per_atom&page=93",
"results": [
{
"id": "mp-1025290",
"created_at": "2022-09-04T14:40:42.904960Z",
"structure_string": "La2 Fe2 Si2 C1\n1.0\n2.009438 5.478747 0.000000\n-2.009438 5.478747 0.000000\n0.000000 4.336218 5.630160\nLa Fe Si C\n2 2 2 1\ndirect\n0.443500 0.443500 0.302635 La\n0.556500 0.556500 0.697365 La\n0.809141 0.809141 0.081820 Fe\n0.190859 0.190859 0.918180 Fe\n0.812510 0.812510 0.755256 Si\n0.187490 0.187490 0.244744 Si\n0.000000 0.000000 0.000000 C\n",
"nsites": 7,
"nelements": 4,
"elements": [
"La",
"Fe",
"Si",
"C"
],
"chemical_system": "C-Fe-La-Si",
"density": 6.1306560010618965,
"density_atomic": 0.05646657557648345,
"volume": 123.9671421285069,
"volume_molar": 10.66496542161135,
"formula_full": "La2 Fe2 Si2 C1",
"formula_reduced": "La2Fe2Si2C",
"formula_anonymous": "AB2C2D2",
"energy": -50.82826644,
"energy_per_atom": -7.26118092,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -50.97026644,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 2.65e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:09.808000Z",
"spacegroup": 12
},
{
"id": "mp-865665",
"created_at": "2022-09-04T14:40:42.910040Z",
"structure_string": "Ti1 Re1 Tc2\n1.0\n0.000000 3.101583 3.101583\n3.101583 0.000000 3.101583\n3.101583 3.101583 0.000000\nTi Re Tc\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ti\n0.500000 0.500000 0.500000 Re\n0.750000 0.750000 0.750000 Tc\n0.250000 0.250000 0.250000 Tc\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"Re",
"Tc"
],
"chemical_system": "Re-Tc-Ti",
"density": 11.967737840573426,
"density_atomic": 0.06703162886351462,
"volume": 59.67332239746906,
"volume_molar": 8.984028677360483,
"formula_full": "Ti1 Re1 Tc2",
"formula_reduced": "TiReTc2",
"formula_anonymous": "ABC2",
"energy": -42.16137397,
"energy_per_atom": -10.5403434925,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -42.16137397,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0007125,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:07.951000Z",
"spacegroup": 225
},
{
"id": "mp-1031754",
"created_at": "2022-09-04T14:40:42.911245Z",
"structure_string": "Ca1 Hf1 Mg6 O8\n1.0\n8.892224 0.000000 -0.000000\n0.000000 4.411054 -0.000000\n0.000000 -0.000000 4.411054\nCa Hf Mg O\n1 1 6 8\ndirect\n-0.000000 -0.000000 -0.000000 Ca\n-0.000000 0.500000 0.500000 Hf\n0.500000 0.000000 -0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.263820 -0.000000 0.500000 Mg\n0.736180 0.000000 0.500000 Mg\n0.263820 0.500000 -0.000000 Mg\n0.736180 0.500000 0.000000 Mg\n0.267295 -0.000000 0.000000 O\n0.732705 0.000000 -0.000000 O\n0.257284 0.500000 0.500000 O\n0.742716 0.500000 0.500000 O\n-0.000000 -0.000000 0.500000 O\n0.500000 -0.000000 0.500000 O\n-0.000000 0.500000 -0.000000 O\n0.500000 0.500000 -0.000000 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Ca",
"Hf",
"Mg",
"O"
],
"chemical_system": "Ca-Hf-Mg-O",
"density": 4.725698400084891,
"density_atomic": 0.09247510636443482,
"volume": 173.01953605704065,
"volume_molar": 6.512175002283715,
"formula_full": "Ca1 Hf1 Mg6 O8",
"formula_reduced": "CaHfMg6O8",
"formula_anonymous": "ABC6D8",
"energy": -106.83462273,
"energy_per_atom": -6.677163920625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -101.33862273,
"band_gap": 0.0998000000000001,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.2840991,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:06.980000Z",
"spacegroup": 123
},
{
"id": "mp-1097117",
"created_at": "2022-09-04T14:40:42.954247Z",
"structure_string": "Mg1 Cd1 Rh2\n1.0\n-5.148021 5.495418 7.809901\n5.148021 -5.495418 7.809901\n5.148021 5.495418 -7.809901\nMg Cd Rh\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Mg\n0.000000 0.500000 0.500000 Cd\n0.000000 0.241884 0.241884 Rh\n0.000000 0.758116 0.758116 Rh\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mg",
"Cd",
"Rh"
],
"chemical_system": "Cd-Mg-Rh",
"density": 0.64357230469422,
"density_atomic": 0.004525988327279957,
"volume": 883.7848687965867,
"volume_molar": 133.05692203627942,
"formula_full": "Mg1 Cd1 Rh2",
"formula_reduced": "MgCdRh2",
"formula_anonymous": "ABC2",
"energy": -8.68705191,
"energy_per_atom": -2.1717629775,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -8.68705191,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.8623187,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:06.974000Z",
"spacegroup": 71
},
{
"id": "mp-1208604",
"created_at": "2022-09-04T14:40:42.913268Z",
"structure_string": "Sr1 Ti4 Cu3 O12\n1.0\n-3.749899 3.749899 3.749899\n3.749899 -3.749899 3.749899\n3.749899 3.749899 -3.749899\nSr Ti Cu O\n1 4 3 12\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500000 0.500000 0.500000 Ti\n0.500000 0.000000 0.000000 Ti\n0.000000 0.500000 0.000000 Ti\n0.000000 0.000000 0.500000 Ti\n0.500000 0.500000 0.000000 Cu\n0.500000 0.000000 0.500000 Cu\n0.000000 0.500000 0.500000 Cu\n0.820626 0.695020 0.515646 O\n0.179374 0.304980 0.484354 O\n0.179374 0.695020 0.874395 O\n0.820626 0.304980 0.125605 O\n0.695020 0.515646 0.820626 O\n0.304980 0.484354 0.179374 O\n0.695020 0.874395 0.179374 O\n0.304980 0.125605 0.820626 O\n0.515646 0.820626 0.695020 O\n0.484354 0.179374 0.304980 O\n0.125605 0.820626 0.304980 O\n0.874395 0.179374 0.695020 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Sr",
"Ti",
"Cu",
"O"
],
"chemical_system": "Cu-O-Sr-Ti",
"density": 5.209593870828048,
"density_atomic": 0.0948224762645449,
"volume": 210.92045670904088,
"volume_molar": 6.350963397326653,
"formula_full": "Sr1 Ti4 Cu3 O12",
"formula_reduced": "SrTi4(CuO4)3",
"formula_anonymous": "AB3C4D12",
"energy": -158.77132089,
"energy_per_atom": -7.9385660445,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -150.52732089,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.976374,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:06.516000Z",
"spacegroup": 204
},
{
"id": "mp-1064861",
"created_at": "2022-09-04T14:40:42.914247Z",
"structure_string": "Ga1 C3\n1.0\n3.318948 0.000000 0.000000\n0.000000 3.318948 0.000000\n0.000000 0.000000 3.318948\nGa C\n1 3\ndirect\n0.000000 0.000000 0.000000 Ga\n0.000000 0.500000 0.500000 C\n0.500000 0.000000 0.500000 C\n0.500000 0.500000 0.000000 C\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ga",
"C"
],
"chemical_system": "C-Ga",
"density": 4.803403535533974,
"density_atomic": 0.10941041038423198,
"volume": 36.55959232720758,
"volume_molar": 5.504175278066501,
"formula_full": "Ga1 C3",
"formula_reduced": "GaC3",
"formula_anonymous": "AB3",
"energy": -17.81966874,
"energy_per_atom": -4.454917185,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -17.81966874,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0384446,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:03.806000Z",
"spacegroup": 221
},
{
"id": "mp-758390",
"created_at": "2022-09-04T14:40:42.916975Z",
"structure_string": "Li4 Ni4 P4 O16\n1.0\n0.000016 0.000032 4.886394\n9.028977 -0.000034 0.000032\n-0.000013 6.305120 0.000038\nLi Ni P O\n4 4 4 16\ndirect\n0.479337 0.163441 0.749993 Li\n0.979306 0.336566 0.250019 Li\n0.020704 0.663451 0.750014 Li\n0.520700 0.836550 0.250006 Li\n0.999954 0.999936 0.499688 Ni\n0.499602 0.499784 0.500219 Ni\n0.000130 0.000180 0.999944 Ni\n0.499953 0.500084 0.000101 Ni\n0.475999 0.178623 0.250002 P\n0.975948 0.321362 0.750014 P\n0.024023 0.678630 0.250007 P\n0.524071 0.821361 0.750013 P\n0.787160 0.135169 0.250000 O\n0.287135 0.364833 0.749997 O\n0.712847 0.635158 0.250014 O\n0.212861 0.864848 0.749989 O\n0.924426 0.147610 0.749948 O\n0.424396 0.352367 0.250029 O\n0.575626 0.647578 0.750035 O\n0.075658 0.852402 0.249945 O\n0.340211 0.119459 0.047348 O\n0.340162 0.119431 0.452625 O\n0.840150 0.380562 0.952676 O\n0.840145 0.380574 0.547364 O\n0.159852 0.619430 0.047361 O\n0.159874 0.619437 0.452639 O\n0.659876 0.880577 0.547345 O\n0.659895 0.880597 0.952667 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Ni",
"P",
"O"
],
"chemical_system": "Li-Ni-O-P",
"density": 3.834862755039407,
"density_atomic": 0.10065553139915785,
"volume": 278.1764659208214,
"volume_molar": 5.982920835337605,
"formula_full": "Li4 Ni4 P4 O16",
"formula_reduced": "LiNiPO4",
"formula_anonymous": "ABCD4",
"energy": -197.1894168,
"energy_per_atom": -7.042479171428572,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -176.0334168,
"band_gap": 3.3622,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 1.3e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:09.939000Z",
"spacegroup": 62
},
{
"id": "mp-1184973",
"created_at": "2022-09-04T14:40:42.923261Z",
"structure_string": "Li2 Tl1 Sb1\n1.0\n0.000000 3.538885 3.538885\n3.538885 0.000000 3.538885\n3.538885 3.538885 0.000000\nLi Tl Sb\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Li\n0.750000 0.750000 0.750000 Li\n0.000000 0.000000 0.000000 Tl\n0.500000 0.500000 0.500000 Sb\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Tl",
"Sb"
],
"chemical_system": "Li-Sb-Tl",
"density": 6.369876089987746,
"density_atomic": 0.04512639553694519,
"volume": 88.63991799932661,
"volume_molar": 13.345051578670061,
"formula_full": "Li2 Tl1 Sb1",
"formula_reduced": "Li2TlSb",
"formula_anonymous": "ABC2",
"energy": -12.17284559,
"energy_per_atom": -3.0432113975,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -11.98084559,
"band_gap": 0.6976000000000004,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004149,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:07.422000Z",
"spacegroup": 225
},
{
"id": "mp-5577",
"created_at": "2022-09-04T14:40:42.924998Z",
"structure_string": "Ce1 Ge2 Rh2\n1.0\n-2.088282 2.088282 5.250194\n2.088282 -2.088282 5.250194\n2.088282 2.088282 -5.250194\nCe Ge Rh\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ce\n0.622445 0.622445 0.000000 Ge\n0.377555 0.377555 0.000000 Ge\n0.750000 0.250000 0.500000 Rh\n0.250000 0.750000 0.500000 Rh\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ce",
"Ge",
"Rh"
],
"chemical_system": "Ce-Ge-Rh",
"density": 8.90635520550851,
"density_atomic": 0.054595440134878166,
"volume": 91.58274001725214,
"volume_molar": 11.030483031407543,
"formula_full": "Ce1 Ge2 Rh2",
"formula_reduced": "Ce(GeRh)2",
"formula_anonymous": "AB2C2",
"energy": -34.19241736,
"energy_per_atom": -6.838483472,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -34.19241736,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.6254454,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:04.785000Z",
"spacegroup": 139
},
{
"id": "mp-1220894",
"created_at": "2022-09-04T14:40:42.927389Z",
"structure_string": "Na1 Sr2 Nd1 Ti4 O12\n1.0\n5.518650 0.000000 0.000000\n0.000000 5.518650 0.000000\n0.000000 0.000000 7.875397\nNa Sr Nd Ti O\n1 2 1 4 12\ndirect\n0.500000 0.500000 0.000000 Na\n0.000000 0.000000 0.500000 Sr\n0.500000 0.500000 0.500000 Sr\n0.000000 0.000000 0.000000 Nd\n0.500000 0.000000 0.753806 Ti\n0.000000 0.500000 0.246194 Ti\n0.500000 0.000000 0.246194 Ti\n0.000000 0.500000 0.753806 Ti\n0.278772 0.721228 0.248900 O\n0.790495 0.209505 0.760749 O\n0.209505 0.790495 0.760749 O\n0.721228 0.278772 0.248900 O\n0.209505 0.209505 0.239251 O\n0.721228 0.721228 0.751100 O\n0.790495 0.790495 0.239251 O\n0.278772 0.278772 0.751100 O\n0.000000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.500000 0.000000 0.000000 O\n0.000000 0.500000 0.500000 O\n",
"nsites": 20,
"nelements": 5,
"elements": [
"Na",
"Sr",
"Nd",
"Ti",
"O"
],
"chemical_system": "Na-Nd-O-Sr-Ti",
"density": 5.025823357887196,
"density_atomic": 0.08338574955128623,
"volume": 239.84913618482304,
"volume_molar": 7.222026296347068,
"formula_full": "Na1 Sr2 Nd1 Ti4 O12",
"formula_reduced": "NaSr2NdTi4O12",
"formula_anonymous": "ABC2D4E12",
"energy": -169.83313752,
"energy_per_atom": -8.491656876,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -161.58913752,
"band_gap": 1.9187000000000003,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0041005,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:09.299000Z",
"spacegroup": 111
},
{
"id": "mp-540267",
"created_at": "2022-09-04T14:40:42.930178Z",
"structure_string": "Cr2 P4 O14\n1.0\n6.335876 0.000000 0.000000\n-0.511751 -6.394819 0.000000\n-2.780311 0.112298 -6.319539\nCr P O\n2 4 14\ndirect\n0.098133 0.356809 0.206995 Cr\n0.901867 0.643191 0.793005 Cr\n0.336983 0.611895 0.650330 P\n0.663017 0.388105 0.349670 P\n0.227952 0.862963 0.248625 P\n0.772048 0.137037 0.751375 P\n0.406040 0.387468 0.205580 O\n0.568779 0.100882 0.812991 O\n0.431221 0.899118 0.187009 O\n0.907296 0.944420 0.777286 O\n0.305109 0.805684 0.492492 O\n0.207944 0.647849 0.788885 O\n0.061809 0.668713 0.123404 O\n0.593960 0.612532 0.794420 O\n0.694891 0.194316 0.507508 O\n0.240988 0.413288 0.511840 O\n0.092704 0.055580 0.222714 O\n0.938191 0.331287 0.876596 O\n0.792056 0.352151 0.211115 O\n0.759012 0.586712 0.488160 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Cr",
"P",
"O"
],
"chemical_system": "Cr-O-P",
"density": 2.930561139065753,
"density_atomic": 0.07811054564491925,
"volume": 256.0473727954417,
"volume_molar": 7.709766601011723,
"formula_full": "Cr2 P4 O14",
"formula_reduced": "CrP2O7",
"formula_anonymous": "AB2C7",
"energy": -158.00657876000002,
"energy_per_atom": -7.900328938000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -144.39057876,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.9973863,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:07.808000Z",
"spacegroup": 2
},
{
"id": "mp-761669",
"created_at": "2022-09-04T14:40:38.858916Z",
"structure_string": "Li8 Ti12 Co4 O32\n1.0\n2.989606 -5.176293 -0.000710\n-0.024242 3.438207 9.754428\n-8.921135 -5.148770 0.019309\nLi Ti Co O\n8 12 4 32\ndirect\n0.279870 0.559568 0.601267 Li\n0.529851 0.059540 0.351259 Li\n0.779852 0.559540 0.101224 Li\n0.029867 0.059567 0.851201 Li\n0.375207 0.750306 0.124178 Li\n0.625242 0.250376 0.874150 Li\n0.875240 0.750381 0.624174 Li\n0.125217 0.250320 0.374195 Li\n0.129016 0.749203 0.372582 Ti\n0.379023 0.249261 0.122742 Ti\n0.629149 0.749323 0.872772 Ti\n0.879125 0.249277 0.622625 Ti\n0.251834 0.503540 0.249870 Ti\n0.501919 0.003637 0.999761 Ti\n0.751930 0.503685 0.749684 Ti\n0.001880 0.003600 0.499628 Ti\n0.620447 0.749176 0.372595 Ti\n0.870457 0.249247 0.122758 Ti\n0.120401 0.749312 0.872798 Ti\n0.370375 0.249255 0.622656 Ti\n0.720776 0.441476 0.396584 Co\n0.970767 0.941438 0.146533 Co\n0.470746 0.941412 0.646505 Co\n0.220771 0.441462 0.896555 Co\n0.315199 0.629710 0.425765 O\n0.565192 0.129694 0.175733 O\n0.815184 0.629723 0.925739 O\n0.065191 0.129702 0.675750 O\n0.435265 0.871083 0.822052 O\n0.685290 0.371021 0.572130 O\n0.935316 0.871091 0.322140 O\n0.185324 0.371099 0.072054 O\n0.083841 0.625496 0.207422 O\n0.333893 0.125480 0.957376 O\n0.583900 0.625504 0.707389 O\n0.833929 0.125501 0.457388 O\n0.426940 0.854163 0.321671 O\n0.676936 0.354159 0.071633 O\n0.926932 0.854178 0.821659 O\n0.176929 0.354164 0.571658 O\n0.541849 0.625479 0.207398 O\n0.791842 0.125459 0.957345 O\n0.041758 0.625457 0.707398 O\n0.291829 0.125463 0.457407 O\n0.206626 0.873365 0.046143 O\n0.456551 0.373429 0.796146 O\n0.706546 0.873423 0.546171 O\n0.956657 0.373459 0.296157 O\n0.321635 0.643735 0.931267 O\n0.571648 0.143731 0.681249 O\n0.821688 0.643860 0.431298 O\n0.071724 0.143824 0.181198 O\n0.666291 0.873361 0.046206 O\n0.916420 0.373457 0.796269 O\n0.166398 0.873410 0.546237 O\n0.416312 0.373430 0.296253 O\n",
"nsites": 56,
"nelements": 4,
"elements": [
"Li",
"Ti",
"Co",
"O"
],
"chemical_system": "Co-Li-O-Ti",
"density": 3.807862180891306,
"density_atomic": 0.0932143225932049,
"volume": 600.7660458402802,
"volume_molar": 6.460531592640678,
"formula_full": "Li8 Ti12 Co4 O32",
"formula_reduced": "Li2Ti3CoO8",
"formula_anonymous": "AB2C3D8",
"energy": -461.93173297,
"energy_per_atom": -8.248780945892857,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -433.39573297,
"band_gap": 1.8695,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.8e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:03.702000Z",
"spacegroup": 160
}
]
}