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=-formula_anonymous&page=7",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-formula_anonymous&page=5",
"results": [
{
"id": "mp-753649",
"created_at": "2022-09-04T14:41:35.212707Z",
"structure_string": "Li2 Zr2 P2 C2 O14\n1.0\n6.630930 0.000000 0.000000\n0.000000 5.682707 0.000000\n0.000000 0.250606 8.895712\nLi Zr P C O\n2 2 2 2 14\ndirect\n0.432383 0.745871 0.843559 Li\n0.932383 0.254129 0.156441 Li\n0.254638 0.203927 0.658376 Zr\n0.754638 0.796073 0.341624 Zr\n0.758233 0.278641 0.551826 P\n0.258233 0.721359 0.448174 P\n0.256052 0.261646 0.947550 C\n0.756052 0.738354 0.052450 C\n0.706657 0.705985 0.921181 O\n0.273607 0.051430 0.884598 O\n0.285347 0.436305 0.843658 O\n0.942348 0.213792 0.650327 O\n0.568039 0.197793 0.636249 O\n0.273548 0.849142 0.600792 O\n0.751296 0.546140 0.516843 O\n0.251296 0.453860 0.483157 O\n0.773548 0.150858 0.399208 O\n0.068039 0.802207 0.363751 O\n0.442348 0.786208 0.349673 O\n0.785347 0.563695 0.156342 O\n0.773607 0.948570 0.115402 O\n0.206657 0.294015 0.078819 O\n",
"nsites": 22,
"nelements": 5,
"elements": [
"Li",
"Zr",
"P",
"C",
"O"
],
"chemical_system": "C-Li-O-P-Zr",
"density": 2.5080631923004297,
"density_atomic": 0.0656314892539861,
"volume": 335.20494887541867,
"volume_molar": 9.175688116256248,
"formula_full": "Li2 Zr2 P2 C2 O14",
"formula_reduced": "LiZrPCO7",
"formula_anonymous": "ABCDE7",
"energy": -180.06122564999998,
"energy_per_atom": -8.18460116590909,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -170.44322565,
"band_gap": 4.1552,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0013718,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:27.641000Z",
"spacegroup": 4
},
{
"id": "mp-756295",
"created_at": "2022-09-04T14:40:24.618784Z",
"structure_string": "Li4 V4 As4 C4 O28\n1.0\n0.250783 6.429424 5.504417\n0.249376 -6.430162 5.505452\n8.672941 0.001361 -5.445789\nLi V As C O\n4 4 4 4 28\ndirect\n0.497078 0.917088 0.167080 Li\n0.997117 0.417095 0.167156 Li\n0.832782 0.752793 0.832778 Li\n0.332792 0.252848 0.832840 Li\n0.427715 0.692180 0.326143 V\n0.057803 0.822436 0.673885 V\n0.927595 0.192085 0.326083 V\n0.557781 0.322472 0.673891 V\n0.694272 0.460928 0.442581 As\n0.194266 0.960939 0.442609 As\n0.789069 0.055803 0.557427 As\n0.289040 0.555767 0.557419 As\n0.775863 0.016580 0.059003 C\n0.275860 0.516635 0.059069 C\n0.733411 0.474108 0.940973 C\n0.233392 0.974126 0.940948 C\n0.338932 0.027891 0.071647 O\n0.838945 0.527857 0.071670 O\n0.222053 0.411074 0.928347 O\n0.722073 0.911059 0.928290 O\n0.900833 0.167497 0.120163 O\n0.400840 0.667552 0.120199 O\n0.582431 0.349223 0.879836 O\n0.082413 0.849243 0.879818 O\n0.725662 0.993240 0.164588 O\n0.225682 0.493331 0.164673 O\n0.756775 0.524278 0.835391 O\n0.256764 0.024275 0.835344 O\n0.573691 0.549762 0.329523 O\n0.073672 0.049714 0.329507 O\n0.699983 0.176188 0.670399 O\n0.199966 0.676199 0.670384 O\n0.779709 0.341627 0.327397 O\n0.279742 0.841689 0.327414 O\n0.908502 0.970574 0.672704 O\n0.408499 0.470575 0.672716 O\n0.625874 0.904302 0.395541 O\n0.125849 0.404236 0.395534 O\n0.845481 0.624445 0.604462 O\n0.345490 0.124462 0.604481 O\n0.557937 0.327929 0.480626 O\n0.057918 0.827901 0.480604 O\n0.922088 0.192153 0.519418 O\n0.422056 0.692143 0.519440 O\n",
"nsites": 44,
"nelements": 5,
"elements": [
"Li",
"V",
"As",
"C",
"O"
],
"chemical_system": "As-C-Li-O-V",
"density": 2.701231475278002,
"density_atomic": 0.06967748135239356,
"volume": 631.4809196025642,
"volume_molar": 8.64287951159292,
"formula_full": "Li4 V4 As4 C4 O28",
"formula_reduced": "LiVAsCO7",
"formula_anonymous": "ABCDE7",
"energy": -327.1119039,
"energy_per_atom": -7.434361452272728,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -301.0759039,
"band_gap": 1.7254,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.56e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:52.478000Z",
"spacegroup": 4
},
{
"id": "mp-769584",
"created_at": "2022-09-04T14:39:45.510856Z",
"structure_string": "Na2 Mn2 P2 C2 O14\n1.0\n6.258094 0.000000 0.000000\n0.000000 5.253293 0.000000\n0.000000 0.392391 9.036438\nNa Mn P C O\n2 2 2 2 14\ndirect\n0.524248 0.760869 0.764168 Na\n0.024248 0.239131 0.235832 Na\n0.238700 0.215588 0.656945 Mn\n0.738700 0.784412 0.343055 Mn\n0.744854 0.278555 0.566767 P\n0.244854 0.721445 0.433233 P\n0.255416 0.274346 0.921167 C\n0.755416 0.725654 0.078833 C\n0.760836 0.691297 0.944984 O\n0.250219 0.051156 0.860109 O\n0.252787 0.460069 0.816851 O\n0.935973 0.215378 0.670555 O\n0.550869 0.204763 0.666813 O\n0.252453 0.871325 0.575549 O\n0.735793 0.569208 0.525170 O\n0.235793 0.430792 0.474830 O\n0.752453 0.128675 0.424451 O\n0.050869 0.795237 0.333187 O\n0.435973 0.784622 0.329445 O\n0.752787 0.539931 0.183149 O\n0.750219 0.948844 0.139891 O\n0.260836 0.308703 0.055016 O\n",
"nsites": 22,
"nelements": 5,
"elements": [
"Na",
"Mn",
"P",
"C",
"O"
],
"chemical_system": "C-Mn-Na-O-P",
"density": 2.603710305278642,
"density_atomic": 0.07405454217714993,
"volume": 297.0783337958203,
"volume_molar": 8.132034285748613,
"formula_full": "Na2 Mn2 P2 C2 O14",
"formula_reduced": "NaMnPCO7",
"formula_anonymous": "ABCDE7",
"energy": -167.34149815,
"energy_per_atom": -7.60643173409091,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -154.38749815,
"band_gap": 0.4931,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.0008375,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:29.702000Z",
"spacegroup": 4
},
{
"id": "mp-772843",
"created_at": "2022-09-04T14:41:12.282578Z",
"structure_string": "K2 Si2 P2 C2 O14\n1.0\n6.008843 0.000000 0.000000\n0.000000 5.097327 0.000000\n0.000000 0.216692 10.108653\nK Si P C O\n2 2 2 2 14\ndirect\n0.632427 0.751218 0.790213 K\n0.132427 0.248782 0.209787 K\n0.222079 0.232928 0.645567 Si\n0.722079 0.767072 0.354433 Si\n0.725445 0.264633 0.552256 P\n0.225445 0.735367 0.447744 P\n0.256545 0.287426 0.865853 C\n0.756545 0.712574 0.134147 C\n0.798770 0.680526 0.016568 O\n0.234253 0.058471 0.803778 O\n0.235264 0.477634 0.771632 O\n0.925044 0.232371 0.647305 O\n0.524608 0.230333 0.645496 O\n0.224981 0.942505 0.554918 O\n0.722734 0.546672 0.492637 O\n0.222734 0.453328 0.507363 O\n0.724981 0.057495 0.445082 O\n0.024608 0.769667 0.354504 O\n0.425044 0.767629 0.352695 O\n0.735264 0.522366 0.228368 O\n0.734253 0.941529 0.196222 O\n0.298770 0.319474 0.983432 O\n",
"nsites": 22,
"nelements": 5,
"elements": [
"K",
"Si",
"P",
"C",
"O"
],
"chemical_system": "C-K-O-P-Si",
"density": 2.383012167645849,
"density_atomic": 0.07105522846646051,
"volume": 309.6183134557711,
"volume_molar": 8.47529575229298,
"formula_full": "K2 Si2 P2 C2 O14",
"formula_reduced": "KSiPCO7",
"formula_anonymous": "ABCDE7",
"energy": -166.9701388,
"energy_per_atom": -7.589551763636364,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -157.3521388,
"band_gap": 5.168,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.28e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:17.662000Z",
"spacegroup": 4
},
{
"id": "mp-1225376",
"created_at": "2022-09-04T14:41:13.351863Z",
"structure_string": "Fe1 Bi1 P1 Pb1 O7\n1.0\n2.055966 5.913827 0.000000\n-2.055966 5.913827 0.000000\n0.000000 2.747305 7.265559\nFe Bi P Pb O\n1 1 1 1 7\ndirect\n0.001155 0.001155 0.985884 Fe\n0.261928 0.261928 0.189891 Bi\n0.528176 0.528176 0.589407 P\n0.753738 0.753738 0.792796 Pb\n0.164845 0.164845 0.987074 O\n0.824088 0.824088 0.048844 O\n0.394544 0.394544 0.617064 O\n0.615140 0.615140 0.392576 O\n0.461425 0.461425 0.074284 O\n0.302070 0.823491 0.714190 O\n0.823491 0.302070 0.714190 O\n",
"nsites": 11,
"nelements": 5,
"elements": [
"Fe",
"Bi",
"P",
"Pb",
"O"
],
"chemical_system": "Bi-Fe-O-P-Pb",
"density": 5.780123023051627,
"density_atomic": 0.062259999316318045,
"volume": 176.6784471698019,
"volume_molar": 9.672567982861553,
"formula_full": "Fe1 Bi1 P1 Pb1 O7",
"formula_reduced": "FeBiPPbO7",
"formula_anonymous": "ABCDE7",
"energy": -75.76338889,
"energy_per_atom": -6.887580808181818,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -68.69838889,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.9195128,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:14.863000Z",
"spacegroup": 8
},
{
"id": "mp-754930",
"created_at": "2022-09-04T14:41:55.903868Z",
"structure_string": "Li2 V2 C2 S2 O14\n1.0\n9.620875 0.000199 0.012546\n0.000139 6.422950 -0.000112\n0.248970 -0.000087 5.277736\nLi V C S O\n2 2 2 2 14\ndirect\n0.111028 0.584015 0.258372 Li\n0.889037 0.084069 0.741615 Li\n0.345686 0.726627 0.780664 V\n0.654126 0.226573 0.219310 V\n0.094624 0.763091 0.733649 C\n0.905377 0.263081 0.266378 C\n0.428398 0.227473 0.727719 S\n0.571603 0.727357 0.272260 S\n0.027194 0.317251 0.298648 O\n0.151353 0.740495 0.955453 O\n0.188539 0.726235 0.543486 O\n0.338895 0.043452 0.780787 O\n0.338676 0.411349 0.787474 O\n0.448077 0.726102 0.114680 O\n0.474497 0.232062 0.455685 O\n0.525530 0.732071 0.544296 O\n0.551923 0.226081 0.885260 O\n0.661404 0.911171 0.212578 O\n0.661081 0.543208 0.219268 O\n0.811472 0.226228 0.456515 O\n0.848661 0.240459 0.044569 O\n0.972818 0.817255 0.701333 O\n",
"nsites": 22,
"nelements": 5,
"elements": [
"Li",
"V",
"C",
"S",
"O"
],
"chemical_system": "C-Li-O-S-V",
"density": 2.1788605969394026,
"density_atomic": 0.06746097636544912,
"volume": 326.1144618011716,
"volume_molar": 8.92685087653772,
"formula_full": "Li2 V2 C2 S2 O14",
"formula_reduced": "LiVCSO7",
"formula_anonymous": "ABCDE7",
"energy": -163.36290146,
"energy_per_atom": -7.425586429999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -150.34490146,
"band_gap": 2.1325,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0084884,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:25.964000Z",
"spacegroup": 4
},
{
"id": "mp-768127",
"created_at": "2022-09-04T14:42:44.958253Z",
"structure_string": "Na2 Sn2 P2 C2 O14\n1.0\n6.614185 0.000000 0.000000\n0.000000 5.320214 0.000000\n0.000000 0.390542 9.328917\nNa Sn P C O\n2 2 2 2 14\ndirect\n0.520185 0.760927 0.784178 Na\n0.020185 0.239073 0.215822 Na\n0.235589 0.217907 0.657539 Sn\n0.735589 0.782093 0.342461 Sn\n0.743083 0.274526 0.567676 P\n0.243083 0.725474 0.432324 P\n0.258845 0.275529 0.924476 C\n0.758845 0.724471 0.075524 C\n0.754328 0.692253 0.945803 O\n0.256463 0.050793 0.864044 O\n0.263575 0.466948 0.823248 O\n0.926086 0.212186 0.664276 O\n0.556131 0.193581 0.656614 O\n0.255565 0.861793 0.576096 O\n0.732300 0.564737 0.531220 O\n0.232300 0.435263 0.468780 O\n0.755565 0.138207 0.423904 O\n0.056131 0.806419 0.343386 O\n0.426086 0.787814 0.335724 O\n0.763575 0.533052 0.176752 O\n0.756463 0.949207 0.135956 O\n0.254328 0.307747 0.054197 O\n",
"nsites": 22,
"nelements": 5,
"elements": [
"Na",
"Sn",
"P",
"C",
"O"
],
"chemical_system": "C-Na-O-P-Sn",
"density": 3.001447424748633,
"density_atomic": 0.06701715880311328,
"volume": 328.27413744340936,
"volume_molar": 8.98596847068999,
"formula_full": "Na2 Sn2 P2 C2 O14",
"formula_reduced": "NaSnPCO7",
"formula_anonymous": "ABCDE7",
"energy": -158.40413899,
"energy_per_atom": -7.200188135909091,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -148.78613899,
"band_gap": 3.1253,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 8.95e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:59.416000Z",
"spacegroup": 4
},
{
"id": "mp-1215650",
"created_at": "2022-09-04T14:42:55.578925Z",
"structure_string": "Yb2 Ti2 Cd2 Sb2 O14\n1.0\n-3.601473 3.708917 5.172510\n3.601473 -3.708917 5.172510\n3.601473 3.708917 -5.172510\nYb Ti Cd Sb O\n2 2 2 2 14\ndirect\n0.000000 0.000000 0.000000 Yb\n0.500000 0.000000 0.500000 Yb\n0.500000 0.500000 0.500000 Ti\n0.500000 0.000000 0.000000 Ti\n0.000000 0.000000 0.500000 Cd\n0.000000 0.500000 0.000000 Cd\n0.500000 0.500000 0.000000 Sb\n0.000000 0.500000 0.500000 Sb\n0.120794 0.870794 0.250000 O\n0.879206 0.129206 0.750000 O\n0.429855 0.179855 0.250000 O\n0.829230 0.579230 0.250000 O\n0.432090 0.580321 0.259228 O\n0.821093 0.172861 0.240772 O\n0.432090 0.172861 0.851769 O\n0.821093 0.580321 0.648231 O\n0.570145 0.820145 0.750000 O\n0.170770 0.420770 0.750000 O\n0.567910 0.419679 0.740772 O\n0.178907 0.827139 0.759228 O\n0.567910 0.827139 0.148231 O\n0.178907 0.419679 0.351769 O\n",
"nsites": 22,
"nelements": 5,
"elements": [
"Yb",
"Ti",
"Cd",
"Sb",
"O"
],
"chemical_system": "Cd-O-Sb-Ti-Yb",
"density": 6.814438359536301,
"density_atomic": 0.0796038500054456,
"volume": 276.3685424573687,
"volume_molar": 7.565137565065047,
"formula_full": "Yb2 Ti2 Cd2 Sb2 O14",
"formula_reduced": "YbTiCdSbO7",
"formula_anonymous": "ABCDE7",
"energy": -153.79519251,
"energy_per_atom": -6.990690568636364,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -144.17719251,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.0129758,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:57.863000Z",
"spacegroup": 74
},
{
"id": "mp-768599",
"created_at": "2022-09-04T14:43:33.537370Z",
"structure_string": "Li2 Cu2 C2 S2 O14\n1.0\n6.207335 0.000000 0.000000\n0.000000 5.162770 0.000000\n0.000000 0.530002 8.901014\nLi Cu C S O\n2 2 2 2 14\ndirect\n0.501623 0.767751 0.787956 Li\n0.001623 0.232249 0.212044 Li\n0.245870 0.226318 0.650139 Cu\n0.745870 0.773682 0.349861 Cu\n0.256435 0.273725 0.928633 C\n0.756435 0.726275 0.071367 C\n0.748652 0.278464 0.574048 S\n0.248652 0.721536 0.425952 S\n0.728684 0.702203 0.933693 O\n0.262123 0.050295 0.867994 O\n0.275997 0.473271 0.831637 O\n0.934078 0.208282 0.673935 O\n0.559938 0.171930 0.662821 O\n0.262432 0.835869 0.573417 O\n0.726319 0.566996 0.551739 O\n0.226319 0.433004 0.448261 O\n0.762432 0.164131 0.426583 O\n0.059938 0.828070 0.337179 O\n0.434078 0.791718 0.326065 O\n0.775997 0.526729 0.168363 O\n0.762123 0.949705 0.132006 O\n0.228684 0.297797 0.066307 O\n",
"nsites": 22,
"nelements": 5,
"elements": [
"Li",
"Cu",
"C",
"S",
"O"
],
"chemical_system": "C-Cu-Li-O-S",
"density": 2.6377401361956387,
"density_atomic": 0.07712501024396475,
"volume": 285.2511776712738,
"volume_molar": 7.80828519950991,
"formula_full": "Li2 Cu2 C2 S2 O14",
"formula_reduced": "LiCuCSO7",
"formula_anonymous": "ABCDE7",
"energy": -144.71222511,
"energy_per_atom": -6.5778284140909085,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -135.09422511,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.9795591,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:24.167000Z",
"spacegroup": 4
},
{
"id": "mp-768103",
"created_at": "2022-09-04T14:40:35.391508Z",
"structure_string": "Na4 V4 P4 C4 O28\n1.0\n-0.000105 6.303234 -0.000025\n0.462087 -0.000050 10.659183\n9.082735 -0.000130 -5.328813\nNa V P C O\n4 4 4 4 28\ndirect\n0.469323 0.226880 0.223522 Na\n0.469314 0.726922 0.223608 Na\n0.969308 0.773101 0.776508 Na\n0.969343 0.273109 0.776417 Na\n0.771794 0.062626 0.338471 V\n0.271894 0.937455 0.661522 V\n0.771715 0.562603 0.338463 V\n0.271781 0.437362 0.661543 V\n0.263542 0.581622 0.442810 P\n0.263613 0.081630 0.442804 P\n0.763509 0.418383 0.557215 P\n0.763580 0.918361 0.557192 P\n0.739554 0.401489 0.085747 C\n0.739600 0.901522 0.085821 C\n0.239568 0.598520 0.914251 C\n0.239628 0.098466 0.914183 C\n0.241866 0.181202 0.043177 O\n0.241852 0.681175 0.043215 O\n0.741877 0.818824 0.956847 O\n0.741865 0.318807 0.956768 O\n0.743546 0.543819 0.145492 O\n0.743626 0.043855 0.145531 O\n0.243571 0.456171 0.854507 O\n0.243668 0.956169 0.854479 O\n0.735289 0.364769 0.191773 O\n0.735348 0.864833 0.191858 O\n0.235309 0.635218 0.808221 O\n0.235381 0.135201 0.808157 O\n0.063732 0.564266 0.345788 O\n0.063891 0.064255 0.345788 O\n0.563829 0.435714 0.654206 O\n0.563934 0.935727 0.654216 O\n0.453597 0.572101 0.346751 O\n0.453700 0.072146 0.346801 O\n0.953645 0.427869 0.653214 O\n0.953779 0.927831 0.653170 O\n0.750705 0.274538 0.421457 O\n0.750688 0.774535 0.421417 O\n0.250743 0.725471 0.578539 O\n0.250676 0.225455 0.578558 O\n0.264495 0.457433 0.479553 O\n0.264608 0.957472 0.479594 O\n0.764489 0.542555 0.520427 O\n0.764621 0.042536 0.520419 O\n",
"nsites": 44,
"nelements": 5,
"elements": [
"Na",
"V",
"P",
"C",
"O"
],
"chemical_system": "C-Na-O-P-V",
"density": 2.4297695175345453,
"density_atomic": 0.07031386915899743,
"volume": 625.7655925675898,
"volume_molar": 8.564655639106446,
"formula_full": "Na4 V4 P4 C4 O28",
"formula_reduced": "NaVPCO7",
"formula_anonymous": "ABCDE7",
"energy": -342.46150439,
"energy_per_atom": -7.783216008863636,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -316.42550439,
"band_gap": 1.628,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:06.894000Z",
"spacegroup": 4
},
{
"id": "mp-754902",
"created_at": "2022-09-04T14:41:52.904962Z",
"structure_string": "Li2 Sb2 C2 S2 O14\n1.0\n6.757293 0.000000 0.000000\n0.000000 5.580552 0.000000\n0.000000 0.542043 8.837402\nLi Sb C S O\n2 2 2 2 14\ndirect\n0.491223 0.278441 0.795425 Li\n0.991223 0.721559 0.204575 Li\n0.744058 0.794002 0.642096 Sb\n0.244058 0.205998 0.357904 Sb\n0.742573 0.722833 0.929488 C\n0.242573 0.277167 0.070512 C\n0.256534 0.727856 0.602225 S\n0.756534 0.272144 0.397775 S\n0.280026 0.306147 0.934905 O\n0.745018 0.939834 0.851210 O\n0.702699 0.546600 0.837437 O\n0.077593 0.785905 0.691095 O\n0.417685 0.889891 0.657016 O\n0.724176 0.211078 0.565005 O\n0.316267 0.475215 0.622564 O\n0.816267 0.524785 0.377436 O\n0.224176 0.788922 0.434995 O\n0.917685 0.110109 0.342984 O\n0.577593 0.214095 0.308905 O\n0.202699 0.453400 0.162563 O\n0.245018 0.060166 0.148790 O\n0.780026 0.693853 0.065095 O\n",
"nsites": 22,
"nelements": 5,
"elements": [
"Li",
"Sb",
"C",
"S",
"O"
],
"chemical_system": "C-Li-O-S-Sb",
"density": 2.8379361511786696,
"density_atomic": 0.06601584097416832,
"volume": 333.2533476110453,
"volume_molar": 9.122266218431475,
"formula_full": "Li2 Sb2 C2 S2 O14",
"formula_reduced": "LiSbCSO7",
"formula_anonymous": "ABCDE7",
"energy": -149.67088413,
"energy_per_atom": -6.803222005909091,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -140.05288413,
"band_gap": 3.9764,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000831,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:31.542000Z",
"spacegroup": 4
},
{
"id": "mp-761016",
"created_at": "2022-09-04T14:44:04.821288Z",
"structure_string": "Na2 Mn2 P2 C2 O14\n1.0\n5.158492 0.000000 0.000000\n-0.172110 6.191394 0.000000\n-0.262831 -0.292752 9.427246\nNa Mn P C O\n2 2 2 2 14\ndirect\n0.252842 0.051838 0.769975 Na\n0.747158 0.948162 0.230025 Na\n0.784291 0.752280 0.649586 Mn\n0.215709 0.247720 0.350414 Mn\n0.721338 0.243499 0.562111 P\n0.278662 0.756501 0.437889 P\n0.708097 0.750544 0.900522 C\n0.291903 0.249456 0.099478 C\n0.335386 0.241725 0.972137 O\n0.939500 0.766677 0.844110 O\n0.525972 0.727582 0.797645 O\n0.833120 0.448351 0.640561 O\n0.753386 0.065282 0.674907 O\n0.128806 0.811015 0.572548 O\n0.427285 0.255916 0.524953 O\n0.572715 0.744084 0.475047 O\n0.871194 0.188985 0.427452 O\n0.246614 0.934718 0.325093 O\n0.166880 0.551649 0.359439 O\n0.474028 0.272418 0.202355 O\n0.060500 0.233323 0.155890 O\n0.664614 0.758275 0.027863 O\n",
"nsites": 22,
"nelements": 5,
"elements": [
"Na",
"Mn",
"P",
"C",
"O"
],
"chemical_system": "C-Mn-Na-O-P",
"density": 2.569020667653197,
"density_atomic": 0.0730679019862518,
"volume": 301.08980006213187,
"volume_molar": 8.24184162442916,
"formula_full": "Na2 Mn2 P2 C2 O14",
"formula_reduced": "NaMnPCO7",
"formula_anonymous": "ABCDE7",
"energy": -167.53012272,
"energy_per_atom": -7.615005578181819,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -154.57612272,
"band_gap": 1.3064,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 6.0003288,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:23.569000Z",
"spacegroup": 2
}
]
}