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=94",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-energy_per_atom&page=92",
"results": [
{
"id": "mp-1094504",
"created_at": "2022-09-04T14:41:31.160560Z",
"structure_string": "Mg2 Zn4\n1.0\n1.471500 5.709187 0.000000\n-1.471500 5.709187 0.000000\n0.000000 2.084483 6.233594\nMg Zn\n2 4\ndirect\n0.637400 0.637400 0.460915 Mg\n0.362600 0.362600 0.539085 Mg\n0.310515 0.310515 0.126279 Zn\n0.028265 0.028265 0.179381 Zn\n0.971735 0.971735 0.820619 Zn\n0.689485 0.689485 0.873721 Zn\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mg",
"Zn"
],
"chemical_system": "Mg-Zn",
"density": 4.9187216339552515,
"density_atomic": 0.05728596155793566,
"volume": 104.73770251603356,
"volume_molar": 10.51241979050934,
"formula_full": "Mg2 Zn4",
"formula_reduced": "MgZn2",
"formula_anonymous": "AB2",
"energy": -8.27870758,
"energy_per_atom": -1.3797845966666669,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -8.27870758,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0011474,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:23.154000Z",
"spacegroup": 12
},
{
"id": "mp-1097400",
"created_at": "2022-09-04T14:43:08.300824Z",
"structure_string": "K1 Na2 P1\n1.0\n-6.601731 7.042113 10.182461\n6.601731 -7.042113 10.182461\n6.601731 7.042113 -10.182461\nK Na P\n1 2 1\ndirect\n0.000000 0.500000 0.500000 K\n0.000000 0.202105 0.202105 Na\n0.000000 0.797895 0.797895 Na\n0.000000 0.000000 0.000000 P\n",
"nsites": 4,
"nelements": 3,
"elements": [
"K",
"Na",
"P"
],
"chemical_system": "K-Na-P",
"density": 0.10177161620708061,
"density_atomic": 0.002112449963382172,
"volume": 1893.5359745022013,
"volume_molar": 285.0785043144007,
"formula_full": "K1 Na2 P1",
"formula_reduced": "KNa2P",
"formula_anonymous": "ABC2",
"energy": -5.52885251,
"energy_per_atom": -1.3822131275,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.52885251,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.0490295,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:15.384000Z",
"spacegroup": 71
},
{
"id": "mp-1184871",
"created_at": "2022-09-04T14:41:30.533200Z",
"structure_string": "K3 Lu1\n1.0\n6.087672 0.000000 0.000000\n0.000000 6.087672 0.000000\n0.000000 0.000000 6.087672\nK Lu\n3 1\ndirect\n0.000000 0.500000 0.500000 K\n0.500000 0.000000 0.500000 K\n0.500000 0.500000 0.000000 K\n0.000000 0.000000 0.000000 Lu\n",
"nsites": 4,
"nelements": 2,
"elements": [
"K",
"Lu"
],
"chemical_system": "K-Lu",
"density": 2.151134502964052,
"density_atomic": 0.017729898799698395,
"volume": 225.60760471278292,
"volume_molar": 33.966018802670455,
"formula_full": "K3 Lu1",
"formula_reduced": "K3Lu",
"formula_anonymous": "AB3",
"energy": -5.53165379,
"energy_per_atom": -1.3829134475,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.53165379,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.4366891,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:20.021000Z",
"spacegroup": 221
},
{
"id": "mp-1198736",
"created_at": "2022-09-04T14:39:25.395698Z",
"structure_string": "Nd3 Cd33\n1.0\n9.456332 0.000000 0.000000\n0.000000 9.456332 0.000000\n0.000000 0.000000 9.456332\nNd Cd\n3 33\ndirect\n0.000000 0.000000 0.500000 Nd\n0.000000 0.500000 0.000000 Nd\n0.500000 0.000000 0.000000 Nd\n0.500000 0.500000 0.500000 Cd\n0.155341 0.155341 0.844659 Cd\n0.155341 0.844659 0.155341 Cd\n0.844659 0.155341 0.155341 Cd\n0.844659 0.844659 0.844659 Cd\n0.844659 0.844659 0.155341 Cd\n0.844659 0.155341 0.844659 Cd\n0.155341 0.844659 0.844659 Cd\n0.155341 0.155341 0.155341 Cd\n0.345704 0.345704 0.000000 Cd\n0.345704 0.000000 0.654296 Cd\n0.000000 0.345704 0.654296 Cd\n0.345704 0.654296 0.000000 Cd\n0.345704 0.000000 0.345704 Cd\n0.000000 0.654296 0.345704 Cd\n0.654296 0.345704 0.000000 Cd\n0.654296 0.000000 0.345704 Cd\n0.000000 0.345704 0.345704 Cd\n0.654296 0.654296 0.000000 Cd\n0.654296 0.000000 0.654296 Cd\n0.000000 0.654296 0.654296 Cd\n0.264680 0.264680 0.500000 Cd\n0.264680 0.500000 0.735320 Cd\n0.500000 0.264680 0.735320 Cd\n0.264680 0.735320 0.500000 Cd\n0.264680 0.500000 0.264680 Cd\n0.500000 0.735320 0.264680 Cd\n0.735320 0.264680 0.500000 Cd\n0.735320 0.500000 0.264680 Cd\n0.500000 0.264680 0.264680 Cd\n0.735320 0.735320 0.500000 Cd\n0.735320 0.500000 0.735320 Cd\n0.500000 0.735320 0.735320 Cd\n",
"nsites": 36,
"nelements": 2,
"elements": [
"Nd",
"Cd"
],
"chemical_system": "Cd-Nd",
"density": 8.134321979125732,
"density_atomic": 0.04257301097644024,
"volume": 845.6061522151269,
"volume_molar": 14.14544243378189,
"formula_full": "Nd3 Cd33",
"formula_reduced": "NdCd11",
"formula_anonymous": "AB11",
"energy": -49.78552888,
"energy_per_atom": -1.3829313577777778,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -49.78552888,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0015247,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:36.356000Z",
"spacegroup": 221
},
{
"id": "mp-1094456",
"created_at": "2022-09-04T14:39:09.059931Z",
"structure_string": "Mg2 Zn4\n1.0\n1.472128 5.407796 0.000000\n-1.472128 5.407796 0.000000\n0.000000 2.041790 6.470570\nMg Zn\n2 4\ndirect\n0.811911 0.811911 0.645465 Mg\n0.188089 0.188089 0.354535 Mg\n0.132962 0.132962 0.978203 Zn\n0.530729 0.530729 0.704536 Zn\n0.469271 0.469271 0.295464 Zn\n0.867038 0.867038 0.021797 Zn\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mg",
"Zn"
],
"chemical_system": "Mg-Zn",
"density": 5.000539699190526,
"density_atomic": 0.058238856819878684,
"volume": 103.024000257368,
"volume_molar": 10.34041718680244,
"formula_full": "Mg2 Zn4",
"formula_reduced": "MgZn2",
"formula_anonymous": "AB2",
"energy": -8.29773264,
"energy_per_atom": -1.38295544,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -8.29773264,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 9.8e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:29.790000Z",
"spacegroup": 12
},
{
"id": "mp-1039026",
"created_at": "2022-09-04T14:43:04.793245Z",
"structure_string": "Mg4 Cd2\n1.0\n1.574913 -2.727829 0.000000\n1.574913 2.727829 0.000000\n0.000000 0.000000 15.693614\nMg Cd\n4 2\ndirect\n0.000000 0.000000 0.000000 Mg\n0.666667 0.333333 0.830876 Mg\n0.666667 0.333333 0.500000 Mg\n0.666667 0.333333 0.169124 Mg\n0.000000 0.000000 0.665664 Cd\n0.000000 0.000000 0.334336 Cd\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mg",
"Cd"
],
"chemical_system": "Cd-Mg",
"density": 3.965837731759137,
"density_atomic": 0.04449636952986139,
"volume": 134.84246160742208,
"volume_molar": 13.534004737079862,
"formula_full": "Mg4 Cd2",
"formula_reduced": "Mg2Cd",
"formula_anonymous": "AB2",
"energy": -8.30510275,
"energy_per_atom": -1.3841837916666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -8.30510275,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0023133,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:55.297000Z",
"spacegroup": 187
},
{
"id": "mp-1039495",
"created_at": "2022-09-04T14:44:08.926790Z",
"structure_string": "Mg4 Cd2\n1.0\n1.584995 -2.745292 0.000000\n1.584995 2.745292 0.000000\n0.000000 0.000000 15.515804\nMg Cd\n4 2\ndirect\n0.333333 0.666667 0.915425 Mg\n0.333333 0.666667 0.584575 Mg\n0.666667 0.333333 0.415425 Mg\n0.666667 0.333333 0.084575 Mg\n0.666667 0.333333 0.750000 Cd\n0.333333 0.666667 0.250000 Cd\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mg",
"Cd"
],
"chemical_system": "Cd-Mg",
"density": 3.9604167719520516,
"density_atomic": 0.044435546811662174,
"volume": 135.0270319712886,
"volume_molar": 13.552529882268674,
"formula_full": "Mg4 Cd2",
"formula_reduced": "Mg2Cd",
"formula_anonymous": "AB2",
"energy": -8.30523509,
"energy_per_atom": -1.3842058483333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -8.30523509,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0006739,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:32.092000Z",
"spacegroup": 194
},
{
"id": "mp-1026667",
"created_at": "2022-09-04T14:46:12.790121Z",
"structure_string": "Rb1 Na1 Mg14\n1.0\n6.736888 0.000000 0.000000\n-3.368444 5.834315 0.000000\n0.000000 0.000000 10.545821\nRb Na Mg\n1 1 14\ndirect\n0.166667 0.333333 0.625000 Rb\n0.166667 0.333333 0.125000 Na\n0.169137 0.834568 0.125000 Mg\n0.172590 0.836295 0.625000 Mg\n0.665432 0.330863 0.125000 Mg\n0.663705 0.327410 0.625000 Mg\n0.665432 0.834568 0.125000 Mg\n0.663705 0.836295 0.625000 Mg\n0.341617 0.158383 0.364584 Mg\n0.341617 0.158383 0.885416 Mg\n0.341617 0.683234 0.364584 Mg\n0.341617 0.683234 0.885416 Mg\n0.816766 0.158383 0.364584 Mg\n0.816766 0.158383 0.885416 Mg\n0.833333 0.666667 0.377784 Mg\n0.833333 0.666667 0.872216 Mg\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Rb",
"Na",
"Mg"
],
"chemical_system": "Mg-Na-Rb",
"density": 1.7976380584518201,
"density_atomic": 0.03860027390656187,
"volume": 414.5048306841178,
"volume_molar": 15.601290225498278,
"formula_full": "Rb1 Na1 Mg14",
"formula_reduced": "RbNaMg14",
"formula_anonymous": "ABC14",
"energy": -22.15380622,
"energy_per_atom": -1.38461288875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -22.15380622,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 4e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:24.635000Z",
"spacegroup": 187
},
{
"id": "mp-1180534",
"created_at": "2022-09-04T14:46:19.633419Z",
"structure_string": "Mg1 Hg22 N6\n1.0\n-4.238785 4.238785 9.760419\n4.238785 -4.238785 9.760419\n4.238785 4.238785 -9.760419\nMg Hg N\n1 22 6\ndirect\n0.000000 0.000000 0.000000 Mg\n0.717283 0.717283 0.000000 Hg\n0.282717 0.282717 0.000000 Hg\n0.917141 0.506614 0.267689 Hg\n0.238925 0.649452 0.732311 Hg\n0.649452 0.917141 0.410527 Hg\n0.506614 0.238925 0.589473 Hg\n0.082859 0.493386 0.732311 Hg\n0.761075 0.350548 0.267689 Hg\n0.350548 0.082859 0.589473 Hg\n0.493386 0.761075 0.410527 Hg\n0.882013 0.262088 0.861312 Hg\n0.400776 0.020700 0.138688 Hg\n0.020700 0.882013 0.619924 Hg\n0.262088 0.400776 0.380076 Hg\n0.117987 0.737912 0.138688 Hg\n0.599224 0.979300 0.861312 Hg\n0.979300 0.117987 0.380076 Hg\n0.737912 0.599224 0.619924 Hg\n0.574232 0.574232 0.000000 Hg\n0.425768 0.425768 0.000000 Hg\n0.250000 0.750000 0.500000 Hg\n0.750000 0.250000 0.500000 Hg\n0.831045 0.831045 0.000000 N\n0.168955 0.168955 0.000000 N\n0.101203 0.754836 0.856039 N\n0.898797 0.245164 0.143961 N\n0.245164 0.101203 0.346368 N\n0.754836 0.898797 0.653632 N\n",
"nsites": 29,
"nelements": 3,
"elements": [
"Mg",
"Hg",
"N"
],
"chemical_system": "Hg-Mg-N",
"density": 10.70295284440835,
"density_atomic": 0.04134155113127816,
"volume": 701.473437895735,
"volume_molar": 14.566799249687014,
"formula_full": "Mg1 Hg22 N6",
"formula_reduced": "Mg(Hg11N3)2",
"formula_anonymous": "AB6C22",
"energy": -40.15703361,
"energy_per_atom": -1.3847252968965518,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -37.99103361,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9405346,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:25.476000Z",
"spacegroup": 87
},
{
"id": "mp-1026601",
"created_at": "2022-09-04T14:45:21.122809Z",
"structure_string": "Cs1 Sr1 Mg14\n1.0\n6.921117 0.000000 0.000000\n-3.460558 5.993862 0.000000\n0.000000 0.000000 10.642461\nCs Sr Mg\n1 1 14\ndirect\n0.166667 0.333333 0.125000 Cs\n0.166667 0.333333 0.625000 Sr\n0.173064 0.836531 0.125000 Mg\n0.175985 0.837992 0.625000 Mg\n0.663469 0.326936 0.125000 Mg\n0.662008 0.324015 0.625000 Mg\n0.663469 0.836531 0.125000 Mg\n0.662008 0.837992 0.625000 Mg\n0.348531 0.151469 0.381245 Mg\n0.348531 0.151469 0.868755 Mg\n0.348531 0.697064 0.381245 Mg\n0.348531 0.697064 0.868755 Mg\n0.802936 0.151469 0.381245 Mg\n0.802936 0.151469 0.868755 Mg\n0.833333 0.666667 0.374593 Mg\n0.833333 0.666667 0.875407 Mg\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Cs",
"Sr",
"Mg"
],
"chemical_system": "Cs-Mg-Sr",
"density": 2.1092525471626637,
"density_atomic": 0.03624056706952538,
"volume": 441.49419542207903,
"volume_molar": 16.617126184716923,
"formula_full": "Cs1 Sr1 Mg14",
"formula_reduced": "CsSrMg14",
"formula_anonymous": "ABC14",
"energy": -22.17328123,
"energy_per_atom": -1.385830076875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -22.17328123,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 9.4e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:06.225000Z",
"spacegroup": 187
},
{
"id": "mp-1094492",
"created_at": "2022-09-04T14:39:38.333570Z",
"structure_string": "Mg2 Zn4\n1.0\n1.520889 5.174066 0.000000\n-1.520889 5.174066 0.000000\n0.000000 1.365860 6.609867\nMg Zn\n2 4\ndirect\n0.618061 0.618061 0.266800 Mg\n0.940002 0.940002 0.617545 Mg\n0.996328 0.996328 0.001110 Zn\n0.336104 0.336104 0.329320 Zn\n0.666087 0.666087 0.672402 Zn\n0.276751 0.276751 0.946156 Zn\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mg",
"Zn"
],
"chemical_system": "Mg-Zn",
"density": 4.952256020489102,
"density_atomic": 0.05767652026826918,
"volume": 104.02846725309308,
"volume_molar": 10.441234547419617,
"formula_full": "Mg2 Zn4",
"formula_reduced": "MgZn2",
"formula_anonymous": "AB2",
"energy": -8.31880102,
"energy_per_atom": -1.3864668366666668,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -8.31880102,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0005969,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:26.426000Z",
"spacegroup": 8
},
{
"id": "mp-1026635",
"created_at": "2022-09-04T14:43:35.761259Z",
"structure_string": "Cs1 Ba1 Mg14\n1.0\n7.057790 -0.000000 0.000000\n-3.528895 6.112225 0.000000\n0.000000 -0.000000 10.532473\nCs Ba Mg\n1 1 14\ndirect\n0.166667 0.333333 0.125000 Cs\n0.166667 0.333333 0.625000 Ba\n0.173236 0.836618 0.125000 Mg\n0.177974 0.838986 0.625000 Mg\n0.663382 0.326764 0.125000 Mg\n0.661014 0.322026 0.625000 Mg\n0.663382 0.836618 0.125000 Mg\n0.661014 0.838986 0.625000 Mg\n0.352847 0.147153 0.378531 Mg\n0.352847 0.147153 0.871469 Mg\n0.352847 0.705694 0.378531 Mg\n0.352847 0.705694 0.871469 Mg\n0.794306 0.147153 0.378531 Mg\n0.794306 0.147153 0.871469 Mg\n0.833333 0.666667 0.375648 Mg\n0.833333 0.666667 0.874352 Mg\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Cs",
"Ba",
"Mg"
],
"chemical_system": "Ba-Cs-Mg",
"density": 2.2311978898854252,
"density_atomic": 0.035214502989480055,
"volume": 454.35825133695124,
"volume_molar": 17.101308406366115,
"formula_full": "Cs1 Ba1 Mg14",
"formula_reduced": "CsBaMg14",
"formula_anonymous": "ABC14",
"energy": -22.18834196,
"energy_per_atom": -1.3867713725,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -22.18834196,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001626,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:18.469000Z",
"spacegroup": 187
}
]
}