HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 146323,
"next": null,
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=energy_above_hull&page=12193",
"results": [
{
"id": "mp-1187860",
"created_at": "2022-09-04T14:42:48.637469Z",
"structure_string": "Y2 Mg4\n1.0\n0.000000 4.272595 4.272595\n4.272595 0.000000 4.272595\n4.272595 4.272595 0.000000\nY Mg\n2 4\ndirect\n0.250000 0.250000 0.250000 Y\n0.000000 0.000000 0.000000 Y\n0.625000 0.125000 0.625000 Mg\n0.625000 0.625000 0.625000 Mg\n0.125000 0.625000 0.625000 Mg\n0.625000 0.625000 0.125000 Mg\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Y",
"Mg"
],
"chemical_system": "Mg-Y",
"density": 2.927700664494002,
"density_atomic": 0.03846325825893085,
"volume": 155.99302481367008,
"volume_molar": 15.6568658834349,
"formula_full": "Y2 Mg4",
"formula_reduced": "YMg2",
"formula_anonymous": "AB2",
"energy": -19.86661181,
"energy_per_atom": -3.311101968333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -19.86661181,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0376261,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:12.021000Z",
"spacegroup": 227
},
{
"id": "mp-1245109",
"created_at": "2022-09-04T14:42:48.654292Z",
"structure_string": "Zn40 O40\n1.0\n9.921700 0.495703 -0.269929\n0.495414 10.124096 -0.012965\n-0.268144 -0.022147 10.567464\nZn O\n40 40\ndirect\n0.061952 0.735133 0.751989 Zn\n0.742600 0.462470 0.216272 Zn\n0.588037 0.486269 0.453914 Zn\n0.113700 0.797338 0.503230 Zn\n0.233105 0.782179 0.194715 Zn\n0.264080 0.981426 0.665872 Zn\n0.216612 0.430934 0.964904 Zn\n0.224089 0.540841 0.282633 Zn\n0.085231 0.254787 0.559493 Zn\n0.662846 0.266139 0.713993 Zn\n0.644472 0.045100 0.341356 Zn\n0.282011 0.547214 0.538991 Zn\n0.431381 0.003814 0.185691 Zn\n0.713964 0.784221 0.842838 Zn\n0.958436 0.570016 0.111367 Zn\n0.449108 0.773859 0.398044 Zn\n0.802846 0.007537 0.018334 Zn\n0.941314 0.385050 0.736997 Zn\n0.672584 0.474478 0.951788 Zn\n0.872383 0.791011 0.263137 Zn\n0.976966 0.043066 0.766503 Zn\n0.968479 0.096117 0.255491 Zn\n0.947868 0.276109 0.992023 Zn\n0.333919 0.836510 0.923127 Zn\n0.352538 0.279904 0.745558 Zn\n0.606719 0.780253 0.111156 Zn\n0.193068 0.084220 0.055424 Zn\n0.654051 0.576787 0.691905 Zn\n0.403915 0.597559 0.774805 Zn\n0.789761 0.191736 0.497724 Zn\n0.117507 0.315173 0.290414 Zn\n0.027515 0.839126 0.006202 Zn\n0.426224 0.269675 0.456512 Zn\n0.449945 0.283521 0.144103 Zn\n0.450416 0.563350 0.140629 Zn\n0.533271 0.997226 0.624949 Zn\n0.936856 0.532858 0.444558 Zn\n0.795407 0.837470 0.539524 Zn\n0.268127 0.045046 0.393886 Zn\n0.498786 0.044113 0.900790 Zn\n0.844608 0.433158 0.056052 O\n0.533003 0.149034 0.753884 O\n0.413406 0.913676 0.782650 O\n0.916939 0.197234 0.646978 O\n0.582231 0.410732 0.104597 O\n0.268046 0.175122 0.622709 O\n0.067309 0.207544 0.139166 O\n0.392702 0.125754 0.037541 O\n0.648172 0.914093 0.975835 O\n0.918927 0.791801 0.854952 O\n0.081394 0.919015 0.647288 O\n0.274094 0.399167 0.422206 O\n0.389635 0.930114 0.504299 O\n0.707628 0.748882 0.661663 O\n0.299569 0.436783 0.134957 O\n0.032605 0.495832 0.282799 O\n0.603138 0.296524 0.530746 O\n0.236240 0.714934 0.383051 O\n0.570744 0.883891 0.272937 O\n0.477262 0.565538 0.596181 O\n0.244304 0.968467 0.220625 O\n0.459962 0.165136 0.301912 O\n0.579567 0.638163 0.871799 O\n0.793773 0.147393 0.319544 O\n0.402850 0.749243 0.078446 O\n0.927735 0.931462 0.156543 O\n0.029914 0.445709 0.590498 O\n0.070028 0.357126 0.881280 O\n0.745319 0.416894 0.777203 O\n0.775036 0.672452 0.159993 O\n0.489930 0.602651 0.321594 O\n0.768292 0.463974 0.394545 O\n0.109393 0.678209 0.092669 O\n0.876490 0.121399 0.907261 O\n0.221594 0.663501 0.680302 O\n0.099503 0.155954 0.396194 O\n0.157726 0.948001 0.928804 O\n0.695446 0.008196 0.529151 O\n0.930902 0.747492 0.438387 O\n0.364863 0.427628 0.848071 O\n",
"nsites": 80,
"nelements": 2,
"elements": [
"Zn",
"O"
],
"chemical_system": "O-Zn",
"density": 5.110085339072356,
"density_atomic": 0.07560313976970624,
"volume": 1058.1571115126565,
"volume_molar": 7.965463839655293,
"formula_full": "Zn40 O40",
"formula_reduced": "ZnO",
"formula_anonymous": "AB",
"energy": -371.81642261,
"energy_per_atom": -4.647705282625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -344.33642261,
"band_gap": 1.2176,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0009688,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:09.216000Z",
"spacegroup": 1
},
{
"id": "mp-1008635",
"created_at": "2022-09-04T14:42:48.660577Z",
"structure_string": "W1 C1\n1.0\n0.000000 2.354692 2.354692\n2.354692 0.000000 2.354692\n2.354692 2.354692 0.000000\nW C\n1 1\ndirect\n0.000000 0.000000 0.000000 W\n0.250000 0.250000 0.250000 C\n",
"nsites": 2,
"nelements": 2,
"elements": [
"W",
"C"
],
"chemical_system": "C-W",
"density": 12.454947608219916,
"density_atomic": 0.07659451580315613,
"volume": 26.111530036169885,
"volume_molar": 7.8623654668391465,
"formula_full": "W1 C1",
"formula_reduced": "WC",
"formula_anonymous": "AB",
"energy": -21.08443661,
"energy_per_atom": -10.542218305,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -21.08443661,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001859,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:49.073000Z",
"spacegroup": 216
},
{
"id": "mp-1236709",
"created_at": "2022-09-04T14:42:48.677093Z",
"structure_string": "Li1 In4 Hg2 O8\n1.0\n-0.005443 4.860749 4.859744\n4.860749 -0.005443 4.859744\n4.855307 4.855307 0.000000\nLi In Hg O\n1 4 2 8\ndirect\n0.373609 0.373609 0.376391 Li\n0.507501 0.507501 0.977432 In\n0.507953 0.975984 0.508032 In\n0.975984 0.507953 0.508032 In\n0.507501 0.507501 0.507567 In\n0.124857 0.124857 0.125143 Hg\n0.875383 0.875383 0.874617 Hg\n0.268070 0.268070 0.268684 O\n0.692981 0.268564 0.269227 O\n0.733409 0.733409 0.299178 O\n0.733047 0.299661 0.733647 O\n0.268564 0.692981 0.269227 O\n0.268070 0.268070 0.695173 O\n0.299661 0.733047 0.733647 O\n0.733409 0.733409 0.734006 O\n",
"nsites": 15,
"nelements": 4,
"elements": [
"Li",
"In",
"Hg",
"O"
],
"chemical_system": "Hg-In-Li-O",
"density": 7.1976754781433465,
"density_atomic": 0.06531936216818542,
"volume": 229.64094415646224,
"volume_molar": 9.219533933130101,
"formula_full": "Li1 In4 Hg2 O8",
"formula_reduced": "LiIn4(HgO4)2",
"formula_anonymous": "AB2C4D8",
"energy": -73.97776639,
"energy_per_atom": -4.931851092666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -68.48176639,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 6.2e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:51.188000Z",
"spacegroup": 216
},
{
"id": "mp-1518111",
"created_at": "2022-09-04T14:42:48.701724Z",
"structure_string": "Ba1 Sr1 Gd1 Bi1 O6\n1.0\n-0.000000 -4.359082 -4.359082\n4.359082 0.000000 -4.359082\n4.359082 -4.359082 -0.000000\nBa Sr Gd Bi O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Sr\n0.500000 0.500000 0.500000 Gd\n-0.000000 0.000000 0.000000 Bi\n0.756981 0.243019 0.243019 O\n0.243019 0.756981 0.756981 O\n0.756981 0.243019 0.756981 O\n0.243019 0.756981 0.243019 O\n0.756981 0.756981 0.243019 O\n0.243019 0.243019 0.756981 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Ba",
"Sr",
"Gd",
"Bi",
"O"
],
"chemical_system": "Ba-Bi-Gd-O-Sr",
"density": 6.888117998636259,
"density_atomic": 0.06036495595963068,
"volume": 165.6590291673126,
"volume_molar": 9.97621991810502,
"formula_full": "Ba1 Sr1 Gd1 Bi1 O6",
"formula_reduced": "BaSrGdBiO6",
"formula_anonymous": "ABCDE6",
"energy": -78.78068881,
"energy_per_atom": -7.878068881,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -74.65868881,
"band_gap": 1.6993,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.9999998,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:51.703000Z",
"spacegroup": 216
},
{
"id": "mp-1028910",
"created_at": "2022-09-04T14:42:48.644781Z",
"structure_string": "Te4 Mo1 W3 Se2 S2\n1.0\n1.697652 -2.940420 0.000000\n1.697652 2.940420 0.000000\n0.000000 0.000000 38.743180\nTe Mo W Se S\n4 1 3 2 2\ndirect\n0.333333 0.666667 0.330087 Te\n0.333333 0.666667 0.706196 Te\n0.333333 0.666667 0.233449 Te\n0.333333 0.666667 0.608885 Te\n0.666667 0.333333 0.281802 Mo\n0.333333 0.666667 0.093935 W\n0.333333 0.666667 0.469667 W\n0.666667 0.333333 0.657554 W\n0.666667 0.333333 0.426936 Se\n0.666667 0.333333 0.512370 Se\n0.666667 0.333333 0.055012 S\n0.666667 0.333333 0.132853 S\n",
"nsites": 12,
"nelements": 5,
"elements": [
"Te",
"Mo",
"W",
"Se",
"S"
],
"chemical_system": "Mo-S-Se-Te-W",
"density": 5.924020625908022,
"density_atomic": 0.03102401120654828,
"volume": 386.79717848564803,
"volume_molar": 19.411225453428468,
"formula_full": "Te4 Mo1 W3 Se2 S2",
"formula_reduced": "Te4MoW3(SeS)2",
"formula_anonymous": "AB2C2D3E4",
"energy": -85.67180739000001,
"energy_per_atom": -7.139317282500001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -82.03380739,
"band_gap": 0.7658,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003983,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:50.185000Z",
"spacegroup": 156
},
{
"id": "mp-1216244",
"created_at": "2022-09-04T14:42:48.673151Z",
"structure_string": "Zn2 Fe3 Cu10 Sn5 Se20\n1.0\n-2.880216 5.705014 14.438127\n2.880216 -5.705014 14.438127\n2.880216 5.705014 -14.438127\nZn Fe Cu Sn Se\n2 3 10 5 20\ndirect\n0.700002 0.700002 0.000000 Zn\n0.299998 0.299998 0.000000 Zn\n0.900109 0.900109 0.000000 Fe\n0.500000 0.500000 0.000000 Fe\n0.099891 0.099891 0.000000 Fe\n0.449477 0.198985 0.248719 Cu\n0.249782 0.000000 0.249782 Cu\n0.850323 0.598658 0.249134 Cu\n0.049734 0.801015 0.250493 Cu\n0.650476 0.401342 0.251665 Cu\n0.349524 0.601189 0.750866 Cu\n0.149677 0.398811 0.748335 Cu\n0.750218 0.000000 0.750218 Cu\n0.950266 0.200759 0.751281 Cu\n0.550523 0.799241 0.749507 Cu\n0.599667 0.099667 0.500000 Sn\n0.400333 0.900333 0.500000 Sn\n0.000000 0.500000 0.500000 Sn\n0.199782 0.699782 0.500000 Sn\n0.800218 0.300218 0.500000 Sn\n0.413396 0.778041 0.098746 Se\n0.013888 0.378533 0.099620 Se\n0.611799 0.986124 0.102568 Se\n0.211930 0.586170 0.102434 Se\n0.813161 0.177615 0.098084 Se\n0.516264 0.413830 0.625760 Se\n0.116444 0.013876 0.625675 Se\n0.721087 0.621467 0.635355 Se\n0.320706 0.221959 0.635355 Se\n0.920468 0.822385 0.635546 Se\n0.278913 0.914268 0.900380 Se\n0.883556 0.509231 0.897432 Se\n0.483736 0.109496 0.897566 Se\n0.079532 0.715077 0.901916 Se\n0.679294 0.314650 0.901254 Se\n0.388201 0.490769 0.374325 Se\n0.986113 0.085732 0.364645 Se\n0.586604 0.685350 0.364645 Se\n0.186839 0.284923 0.364454 Se\n0.788070 0.890504 0.374240 Se\n",
"nsites": 40,
"nelements": 5,
"elements": [
"Zn",
"Fe",
"Cu",
"Sn",
"Se"
],
"chemical_system": "Cu-Fe-Se-Sn-Zn",
"density": 5.435964861648719,
"density_atomic": 0.042150950197469575,
"volume": 948.9703034595243,
"volume_molar": 14.287081861232926,
"formula_full": "Zn2 Fe3 Cu10 Sn5 Se20",
"formula_reduced": "Zn2Fe3Cu10(SnSe4)5",
"formula_anonymous": "A2B3C5D10E20",
"energy": -180.53562418,
"energy_per_atom": -4.5133906045000005,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -171.09562418,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 11.7648505,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:57.080000Z",
"spacegroup": 23
}
]
}