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=91",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-formation_energy&page=89",
"results": [
{
"id": "mp-1246867",
"created_at": "2022-09-04T14:39:10.478957Z",
"structure_string": "In10 Ge4 N12\n1.0\n6.119349 0.177310 0.278246\n-3.202606 5.205113 0.000000\n-1.464679 -0.901189 13.057843\nIn Ge N\n10 4 12\ndirect\n0.000000 0.458347 0.750000 In\n0.000000 0.541653 0.250000 In\n0.141488 0.727202 0.950845 In\n0.858512 0.585714 0.549155 In\n0.858512 0.272798 0.049155 In\n0.141488 0.414286 0.450845 In\n0.292018 0.120823 0.694911 In\n0.707982 0.828805 0.805089 In\n0.707982 0.879177 0.305089 In\n0.292018 0.171195 0.194911 In\n0.609223 0.947715 0.587543 Ge\n0.390777 0.338492 0.912457 Ge\n0.390777 0.052285 0.412457 Ge\n0.609223 0.661508 0.087543 Ge\n0.425793 0.849122 0.702414 N\n0.574207 0.423329 0.797586 N\n0.574207 0.150878 0.297586 N\n0.425793 0.576671 0.202414 N\n0.514902 0.208684 0.545205 N\n0.485098 0.693782 0.954795 N\n0.485098 0.791316 0.454795 N\n0.514902 0.306218 0.045205 N\n0.892439 0.914522 0.630106 N\n0.107561 0.022082 0.869894 N\n0.107561 0.085478 0.369894 N\n0.892439 0.977918 0.130106 N\n",
"nsites": 26,
"nelements": 3,
"elements": [
"In",
"Ge",
"N"
],
"chemical_system": "Ge-In-N",
"density": 6.259583891180617,
"density_atomic": 0.06099614355925368,
"volume": 426.25645627485835,
"volume_molar": 9.872986075176854,
"formula_full": "In10 Ge4 N12",
"formula_reduced": "In5(GeN3)2",
"formula_anonymous": "A2B5C6",
"energy": -140.44653978,
"energy_per_atom": -5.401789991538461,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -136.11453978,
"band_gap": 0.1779000000000001,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0018006,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:36.974000Z",
"spacegroup": 15
},
{
"id": "mp-762500",
"created_at": "2022-09-04T14:39:10.483515Z",
"structure_string": "Li2 Ti4 P6 O22\n1.0\n4.394556 5.881454 0.000000\n-4.394556 5.881454 0.000000\n0.000000 3.839082 7.985337\nLi Ti P O\n2 4 6 22\ndirect\n0.515322 0.986886 0.261017 Li\n0.013114 0.484678 0.738983 Li\n0.889808 0.359198 0.205991 Ti\n0.359178 0.888711 0.707283 Ti\n0.640802 0.110192 0.794009 Ti\n0.111289 0.640822 0.292717 Ti\n0.548463 0.674103 0.036992 P\n0.954123 0.045877 0.000000 P\n0.676393 0.548267 0.535796 P\n0.325897 0.451537 0.963008 P\n0.045261 0.954739 0.500000 P\n0.451733 0.323607 0.464204 P\n0.991819 0.880302 0.157113 O\n0.879500 0.993485 0.656390 O\n0.754593 0.608177 0.061860 O\n0.537277 0.844166 0.874376 O\n0.388700 0.726684 0.188309 O\n0.959885 0.254085 0.003053 O\n0.608199 0.757309 0.555348 O\n0.508968 0.491032 0.000000 O\n0.846314 0.536429 0.373306 O\n0.730111 0.390678 0.687301 O\n0.253261 0.959490 0.504669 O\n0.745915 0.040115 0.996947 O\n0.273316 0.611300 0.811691 O\n0.155834 0.462723 0.125624 O\n0.493763 0.506237 0.500000 O\n0.391823 0.245407 0.938140 O\n0.040510 0.746739 0.495331 O\n0.609322 0.269889 0.312699 O\n0.463571 0.153686 0.626694 O\n0.242691 0.391801 0.444652 O\n0.119698 0.008181 0.842887 O\n0.006515 0.120500 0.343610 O\n",
"nsites": 34,
"nelements": 4,
"elements": [
"Li",
"Ti",
"P",
"O"
],
"chemical_system": "Li-O-P-Ti",
"density": 2.989646168677526,
"density_atomic": 0.0823675151635059,
"volume": 412.7840925212733,
"volume_molar": 7.311305613682268,
"formula_full": "Li2 Ti4 P6 O22",
"formula_reduced": "LiTi2P3O11",
"formula_anonymous": "AB2C3D11",
"energy": -273.84340074,
"energy_per_atom": -8.05421766882353,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -258.72940074,
"band_gap": 0.0682,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.0081408,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:33.490000Z",
"spacegroup": 5
},
{
"id": "mp-760595",
"created_at": "2022-09-04T14:39:10.486217Z",
"structure_string": "Cu4 C4 O12\n1.0\n6.804157 0.000000 0.000000\n0.000000 6.217696 0.000000\n0.000000 4.949511 6.607855\nCu C O\n4 4 12\ndirect\n0.512989 0.737475 0.511954 Cu\n0.012989 0.262525 0.988046 Cu\n0.987011 0.737475 0.011954 Cu\n0.487011 0.262525 0.488046 Cu\n0.164680 0.739945 0.694374 C\n0.664680 0.260055 0.805626 C\n0.335320 0.739945 0.194374 C\n0.835320 0.260055 0.305626 C\n0.310036 0.891039 0.581825 O\n0.648612 0.497136 0.760642 O\n0.148612 0.502864 0.739358 O\n0.961611 0.164852 0.246717 O\n0.810036 0.108961 0.918175 O\n0.461611 0.835148 0.253283 O\n0.538389 0.164852 0.746717 O\n0.189964 0.891039 0.081825 O\n0.038389 0.835148 0.753283 O\n0.851388 0.497136 0.260642 O\n0.351388 0.502864 0.239358 O\n0.689964 0.108961 0.418175 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Cu",
"C",
"O"
],
"chemical_system": "C-Cu-O",
"density": 2.935653187015727,
"density_atomic": 0.07154275840480939,
"volume": 279.5531014730279,
"volume_molar": 8.417540634825686,
"formula_full": "Cu4 C4 O12",
"formula_reduced": "CuCO3",
"formula_anonymous": "ABC3",
"energy": -139.40322038,
"energy_per_atom": -6.970161019,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -131.15922038,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.9995296,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:42.795000Z",
"spacegroup": 14
},
{
"id": "mp-21238",
"created_at": "2022-09-04T14:39:10.488261Z",
"structure_string": "Th4 Si4\n1.0\n4.114391 0.000000 0.000000\n0.000000 5.905933 0.000000\n0.000000 0.000000 7.990882\nTh Si\n4 4\ndirect\n0.250000 0.123044 0.179870 Th\n0.750000 0.876956 0.820130 Th\n0.750000 0.623044 0.320130 Th\n0.250000 0.376956 0.679870 Th\n0.250000 0.625747 0.037637 Si\n0.750000 0.374253 0.962363 Si\n0.750000 0.125747 0.462363 Si\n0.250000 0.874253 0.537637 Si\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Th",
"Si"
],
"chemical_system": "Si-Th",
"density": 8.898155339370923,
"density_atomic": 0.0412003772180847,
"volume": 194.17297947671315,
"volume_molar": 14.616712677466971,
"formula_full": "Th4 Si4",
"formula_reduced": "ThSi",
"formula_anonymous": "AB",
"energy": -56.62414008,
"energy_per_atom": -7.07801751,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -56.90814008,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 9.6e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:27.077000Z",
"spacegroup": 62
},
{
"id": "mp-559514",
"created_at": "2022-09-04T14:39:10.499012Z",
"structure_string": "Nd8 S6 N2 Cl6\n1.0\n4.685831 -8.116097 0.000000\n4.685831 8.116097 0.000000\n0.000000 0.000000 6.885132\nNd S N Cl\n8 6 2 6\ndirect\n0.666667 0.333333 0.286560 Nd\n0.202162 0.797838 0.252090 Nd\n0.797838 0.595677 0.752090 Nd\n0.797838 0.202162 0.752090 Nd\n0.595677 0.797838 0.252090 Nd\n0.333333 0.666667 0.786560 Nd\n0.202162 0.404323 0.252090 Nd\n0.404323 0.202162 0.752090 Nd\n0.532587 0.467413 0.030370 S\n0.532587 0.065174 0.030370 S\n0.065174 0.532587 0.530370 S\n0.934826 0.467413 0.030370 S\n0.467413 0.934826 0.530370 S\n0.467413 0.532587 0.530370 S\n0.666667 0.333333 0.631013 N\n0.333333 0.666667 0.131013 N\n0.131325 0.262649 0.862485 Cl\n0.737351 0.868675 0.862485 Cl\n0.262649 0.131325 0.362485 Cl\n0.868675 0.131325 0.362485 Cl\n0.868675 0.737351 0.362485 Cl\n0.131325 0.868675 0.862485 Cl\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Nd",
"S",
"N",
"Cl"
],
"chemical_system": "Cl-N-Nd-S",
"density": 5.03228947458085,
"density_atomic": 0.0420094082653994,
"volume": 523.6922134444836,
"volume_molar": 14.335219201266568,
"formula_full": "Nd8 S6 N2 Cl6",
"formula_reduced": "Nd4S3NCl3",
"formula_anonymous": "AB3C3D4",
"energy": -143.85651732,
"energy_per_atom": -6.538932605454545,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -136.43251732,
"band_gap": 3.0831,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0033263,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:32.371000Z",
"spacegroup": 186
},
{
"id": "mp-28279",
"created_at": "2022-09-04T14:39:10.507669Z",
"structure_string": "Gd8 N4 Cl12\n1.0\n6.172033 0.000000 0.000000\n0.000000 6.775078 0.000000\n0.000000 0.000000 13.152266\nGd N Cl\n8 4 12\ndirect\n0.992407 0.327636 0.408174 Gd\n0.492407 0.172364 0.091826 Gd\n0.507593 0.327636 0.591826 Gd\n0.007593 0.172364 0.908174 Gd\n0.007593 0.672364 0.591826 Gd\n0.507593 0.827636 0.908174 Gd\n0.492407 0.672364 0.408174 Gd\n0.992407 0.827636 0.091826 Gd\n0.750000 0.509991 0.500000 N\n0.250000 0.990009 0.000000 N\n0.250000 0.490009 0.500000 N\n0.750000 0.009991 0.000000 N\n0.110768 0.134794 0.220571 Cl\n0.610768 0.365206 0.279429 Cl\n0.389232 0.134794 0.779429 Cl\n0.889232 0.365206 0.720571 Cl\n0.750000 0.502617 0.000000 Cl\n0.250000 0.997383 0.500000 Cl\n0.250000 0.497383 0.000000 Cl\n0.750000 0.002617 0.500000 Cl\n0.110768 0.634794 0.279429 Cl\n0.610768 0.865206 0.220571 Cl\n0.389232 0.634794 0.720571 Cl\n0.889232 0.865206 0.779429 Cl\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Gd",
"N",
"Cl"
],
"chemical_system": "Cl-Gd-N",
"density": 5.251956498055891,
"density_atomic": 0.043638329683328723,
"volume": 549.9752207328135,
"volume_molar": 13.800117474021139,
"formula_full": "Gd8 N4 Cl12",
"formula_reduced": "Gd2NCl3",
"formula_anonymous": "AB2C3",
"energy": -227.6885816,
"energy_per_atom": -9.487024233333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -218.8765816,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 56.0000001,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:33.668000Z",
"spacegroup": 60
},
{
"id": "mp-12362",
"created_at": "2022-09-04T14:39:10.509416Z",
"structure_string": "Ag2 Hg6 Sb2 O12\n1.0\n5.136512 -4.949225 0.000000\n5.136512 4.949225 0.000000\n0.367745 0.000000 7.123437\nAg Hg Sb O\n2 6 2 12\ndirect\n0.250000 0.250000 0.250000 Ag\n0.750000 0.750000 0.750000 Ag\n0.402690 0.750000 0.097310 Hg\n0.097310 0.402690 0.750000 Hg\n0.597310 0.250000 0.902690 Hg\n0.902690 0.597310 0.250000 Hg\n0.750000 0.097310 0.402690 Hg\n0.250000 0.902690 0.597310 Hg\n0.000000 0.000000 0.000000 Sb\n0.500000 0.500000 0.500000 Sb\n0.500886 0.785135 0.496342 O\n0.496342 0.500886 0.785135 O\n0.785135 0.496342 0.500886 O\n0.999114 0.003658 0.714865 O\n0.714865 0.999114 0.003658 O\n0.003658 0.714865 0.999114 O\n0.499114 0.214865 0.503658 O\n0.503658 0.499114 0.214865 O\n0.214865 0.503658 0.499114 O\n0.000886 0.996342 0.285135 O\n0.996342 0.285135 0.000886 O\n0.285135 0.000886 0.996342 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Ag",
"Hg",
"Sb",
"O"
],
"chemical_system": "Ag-Hg-O-Sb",
"density": 8.503908280692226,
"density_atomic": 0.060743189537195326,
"volume": 362.1805204438364,
"volume_molar": 9.914100339285637,
"formula_full": "Ag2 Hg6 Sb2 O12",
"formula_reduced": "AgHg3SbO6",
"formula_anonymous": "ABC3D6",
"energy": -97.30682117000002,
"energy_per_atom": -4.423037325909092,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -89.06282117,
"band_gap": 0.7092999999999998,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0006124,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:40.180000Z",
"spacegroup": 167
},
{
"id": "mp-1014111",
"created_at": "2022-09-04T14:39:10.515461Z",
"structure_string": "Ni2\n1.0\n1.208342 -2.092910 0.000000\n1.208342 2.092910 0.000000\n0.000000 0.000000 13.515347\nNi\n2\ndirect\n0.333333 0.666667 0.425238 Ni\n0.666667 0.333333 0.574762 Ni\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Ni"
],
"chemical_system": "Ni",
"density": 2.8514826991109197,
"density_atomic": 0.02925717405140096,
"volume": 68.35930211462892,
"volume_molar": 20.58346697948305,
"formula_full": "Ni2",
"formula_reduced": "Ni",
"formula_anonymous": "A",
"energy": -10.3197951,
"energy_per_atom": -5.15989755,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -10.3197951,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.3472965,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:27.320000Z",
"spacegroup": 164
},
{
"id": "mp-4586",
"created_at": "2022-09-04T14:39:10.793066Z",
"structure_string": "Li2 Al2 Te4\n1.0\n-3.210688 3.210688 5.961840\n3.210688 -3.210688 5.961840\n3.210688 3.210688 -5.961840\nLi Al Te\n2 2 4\ndirect\n0.250000 0.750000 0.500000 Li\n0.500000 0.500000 0.000000 Li\n0.750000 0.250000 0.500000 Al\n0.000000 0.000000 0.000000 Al\n0.875000 0.892860 0.517860 Te\n0.107140 0.625000 0.982140 Te\n0.642860 0.125000 0.017860 Te\n0.375000 0.357140 0.482140 Te\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Li",
"Al",
"Te"
],
"chemical_system": "Al-Li-Te",
"density": 3.9059306134288394,
"density_atomic": 0.032542691517430306,
"volume": 245.83092629923038,
"volume_molar": 18.50535551668939,
"formula_full": "Li2 Al2 Te4",
"formula_reduced": "LiAlTe2",
"formula_anonymous": "ABC2",
"energy": -31.28361814,
"energy_per_atom": -3.9104522675,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -29.59561814,
"band_gap": 2.4572000000000003,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0031594,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:35.904000Z",
"spacegroup": 122
},
{
"id": "mp-541380",
"created_at": "2022-09-04T14:39:10.488748Z",
"structure_string": "Rb8 Sn8 S32\n1.0\n10.125696 0.000000 0.000000\n0.000000 10.060653 0.000000\n0.000000 5.924113 14.168412\nRb Sn S\n8 8 32\ndirect\n0.366046 0.857134 0.796329 Rb\n0.866046 0.142866 0.703671 Rb\n0.633954 0.142866 0.203671 Rb\n0.133954 0.857134 0.296329 Rb\n0.275285 0.378522 0.592541 Rb\n0.775285 0.621478 0.907459 Rb\n0.724715 0.621478 0.407459 Rb\n0.224715 0.378522 0.092541 Rb\n0.174940 0.989240 0.985878 Sn\n0.674940 0.010760 0.514122 Sn\n0.825060 0.010760 0.014122 Sn\n0.325060 0.989240 0.485878 Sn\n0.999888 0.812717 0.594356 Sn\n0.499888 0.187283 0.905644 Sn\n0.000112 0.187283 0.405644 Sn\n0.500112 0.812717 0.094356 Sn\n0.274960 0.750408 0.039431 S\n0.774960 0.249592 0.460569 S\n0.725040 0.249592 0.960569 S\n0.225040 0.750408 0.539431 S\n0.037266 0.081592 0.079940 S\n0.537266 0.918408 0.420060 S\n0.962734 0.918408 0.920060 S\n0.462734 0.081592 0.579940 S\n0.897430 0.938011 0.427417 S\n0.397430 0.061989 0.072583 S\n0.102570 0.061989 0.572583 S\n0.602570 0.938011 0.927417 S\n0.066148 0.711174 0.775179 S\n0.566148 0.288826 0.724821 S\n0.933852 0.288826 0.224821 S\n0.433852 0.711174 0.275179 S\n0.271464 0.152851 0.838100 S\n0.771464 0.847149 0.661900 S\n0.728536 0.847149 0.161900 S\n0.228536 0.152851 0.338100 S\n0.140827 0.509746 0.803652 S\n0.640827 0.490254 0.696348 S\n0.859173 0.490254 0.196348 S\n0.359173 0.509746 0.303652 S\n0.343339 0.534882 0.774414 S\n0.843339 0.465118 0.725586 S\n0.656661 0.465118 0.225586 S\n0.156661 0.534882 0.274414 S\n0.441027 0.445396 0.900590 S\n0.941027 0.554604 0.599410 S\n0.558973 0.554604 0.099410 S\n0.058973 0.445396 0.400590 S\n",
"nsites": 48,
"nelements": 3,
"elements": [
"Rb",
"Sn",
"S"
],
"chemical_system": "Rb-S-Sn",
"density": 3.0596887681259255,
"density_atomic": 0.03325592297232069,
"volume": 1443.351911776768,
"volume_molar": 18.108475789447496,
"formula_full": "Rb8 Sn8 S32",
"formula_reduced": "RbSnS4",
"formula_anonymous": "ABC4",
"energy": -216.01464354,
"energy_per_atom": -4.50030507375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -199.91864354,
"band_gap": 1.3934000000000002,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.54e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:31.526000Z",
"spacegroup": 14
},
{
"id": "mp-1216877",
"created_at": "2022-09-04T14:39:11.082755Z",
"structure_string": "Tl2 V9 Cr1 S16\n1.0\n0.000000 3.260233 0.000000\n-0.039118 0.000000 8.550190\n16.911245 0.000000 -4.329826\nTl V Cr S\n2 9 1 16\ndirect\n0.500000 0.000000 0.000000 Tl\n0.000000 0.000000 0.500000 Tl\n0.500000 0.859812 0.211310 V\n0.000000 0.860282 0.711396 V\n0.000000 0.139718 0.288604 V\n0.500000 0.140188 0.788690 V\n0.500000 0.495117 0.147925 V\n0.000000 0.495993 0.646501 V\n0.000000 0.504007 0.353499 V\n0.500000 0.504883 0.852075 V\n0.000000 0.500000 0.000000 V\n0.500000 0.500000 0.500000 Cr\n0.500000 0.679697 0.416167 S\n0.000000 0.681634 0.914919 S\n0.000000 0.318366 0.085081 S\n0.500000 0.320303 0.583833 S\n0.500000 0.340128 0.259897 S\n0.000000 0.339850 0.759012 S\n0.000000 0.660150 0.240988 S\n0.500000 0.659872 0.740103 S\n0.500000 0.001010 0.340481 S\n0.000000 0.999771 0.840023 S\n0.000000 0.000229 0.159977 S\n0.500000 0.998990 0.659519 S\n0.500000 0.678607 0.074388 S\n0.000000 0.675361 0.572229 S\n0.000000 0.324639 0.427771 S\n0.500000 0.321393 0.925612 S\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Tl",
"V",
"Cr",
"S"
],
"chemical_system": "Cr-S-Tl-V",
"density": 5.051087669494731,
"density_atomic": 0.05946577249029676,
"volume": 470.8590980562618,
"volume_molar": 10.127070595076612,
"formula_full": "Tl2 V9 Cr1 S16",
"formula_reduced": "Tl2V9CrS16",
"formula_anonymous": "AB2C9D16",
"energy": -194.74564989,
"energy_per_atom": -6.955201781785715,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -186.69764989,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.9768271,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:43.325000Z",
"spacegroup": 10
},
{
"id": "mp-1276140",
"created_at": "2022-09-04T14:39:11.082924Z",
"structure_string": "Sr4 V2 Mo2 O12\n1.0\n4.004780 4.008045 -0.000161\n-4.027443 4.030887 0.000867\n-0.001014 0.000688 7.914868\nSr V Mo O\n4 2 2 12\ndirect\n0.500077 0.997167 0.230450 Sr\n0.999668 0.502693 0.230407 Sr\n0.500090 0.003017 0.769574 Sr\n0.000146 0.497185 0.769589 Sr\n0.499899 0.500095 0.999902 V\n0.999975 0.000023 0.000082 V\n0.000034 0.999941 0.500095 Mo\n0.499980 0.499974 0.499909 Mo\n0.990428 0.046781 0.238408 O\n0.509956 0.453120 0.238013 O\n0.009659 0.953170 0.761757 O\n0.490004 0.546950 0.761818 O\n0.249886 0.249986 0.982813 O\n0.750107 0.750069 0.017195 O\n0.250001 0.750092 0.025170 O\n0.750027 0.249939 0.974869 O\n0.251034 0.248950 0.527542 O\n0.749044 0.750941 0.472465 O\n0.249008 0.748675 0.457372 O\n0.750977 0.251234 0.542568 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Sr",
"V",
"Mo",
"O"
],
"chemical_system": "Mo-O-Sr-V",
"density": 5.434174156524356,
"density_atomic": 0.07826826284225845,
"volume": 255.53141559188458,
"volume_molar": 7.6942307664819385,
"formula_full": "Sr4 V2 Mo2 O12",
"formula_reduced": "Sr2VMoO6",
"formula_anonymous": "ABC2D6",
"energy": -159.67641629,
"energy_per_atom": -7.9838208145,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -141.62841629,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.4161973,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:33.842000Z",
"spacegroup": 13
}
]
}