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=updated_at&page=12136",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=updated_at&page=12134",
"results": [
{
"id": "mp-754772",
"created_at": "2022-09-04T14:48:30.041238Z",
"structure_string": "Cr4 P8 O24\n1.0\n-1.646608 0.000634 4.737321\n5.123321 4.642857 0.011928\n-8.605204 9.290790 -4.760498\nCr P O\n4 8 24\ndirect\n0.693673 0.887223 0.943679 Cr\n0.806428 0.112878 0.556328 Cr\n0.193655 0.887288 0.443581 Cr\n0.306385 0.112737 0.056433 Cr\n0.162894 0.376342 0.401360 P\n0.662922 0.376336 0.901408 P\n0.573420 0.197152 0.311818 P\n0.073398 0.197105 0.811830 P\n0.926572 0.802839 0.188180 P\n0.426593 0.802883 0.688171 P\n0.337101 0.623656 0.098640 P\n0.837072 0.623659 0.598589 P\n0.131405 0.206484 0.473429 O\n0.631479 0.206534 0.973463 O\n0.554674 0.053009 0.396705 O\n0.054667 0.053039 0.896713 O\n0.945324 0.946984 0.103292 O\n0.445318 0.946950 0.603288 O\n0.368578 0.793513 0.026571 O\n0.868515 0.793458 0.526535 O\n0.255038 0.586023 0.441665 O\n0.755020 0.585987 0.941713 O\n0.520527 0.116594 0.207023 O\n0.020526 0.116599 0.707036 O\n0.979465 0.883396 0.292974 O\n0.479466 0.883388 0.792965 O\n0.244954 0.413977 0.058332 O\n0.744970 0.414007 0.558286 O\n0.872951 0.351934 0.329482 O\n0.372954 0.351876 0.829510 O\n0.367493 0.341061 0.324029 O\n0.867499 0.341026 0.824063 O\n0.132496 0.658928 0.175968 O\n0.632491 0.658963 0.675935 O\n0.627041 0.648058 0.170517 O\n0.127037 0.648112 0.670488 O\n",
"nsites": 36,
"nelements": 3,
"elements": [
"Cr",
"P",
"O"
],
"chemical_system": "Cr-O-P",
"density": 3.089480156496547,
"density_atomic": 0.07975971244849796,
"volume": 451.3556894183356,
"volume_molar": 7.550354151400166,
"formula_full": "Cr4 P8 O24",
"formula_reduced": "Cr(PO3)2",
"formula_anonymous": "AB2C6",
"energy": -291.45234564,
"energy_per_atom": -8.09589849,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -266.96834564,
"band_gap": 1.9037999999999995,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.14e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:52.540000Z",
"spacegroup": 15
},
{
"id": "mp-1172462",
"created_at": "2022-09-04T14:48:30.481406Z",
"structure_string": "Cr8 Si12 O48\n1.0\n-5.806157 5.806157 5.806157\n5.806157 -5.806157 5.806157\n5.806157 5.806157 -5.806157\nCr Si O\n8 12 48\ndirect\n0.500000 0.000000 0.000000 Cr\n0.500000 0.500000 0.000000 Cr\n0.000000 0.500000 0.500000 Cr\n0.000000 0.000000 0.500000 Cr\n0.500000 0.500000 0.500000 Cr\n0.000000 0.500000 0.000000 Cr\n0.500000 0.000000 0.500000 Cr\n0.000000 0.000000 0.000000 Cr\n0.125000 0.750000 0.875000 Si\n0.875000 0.250000 0.125000 Si\n0.750000 0.375000 0.625000 Si\n0.125000 0.875000 0.250000 Si\n0.250000 0.125000 0.875000 Si\n0.375000 0.625000 0.750000 Si\n0.375000 0.250000 0.625000 Si\n0.875000 0.125000 0.750000 Si\n0.625000 0.375000 0.250000 Si\n0.750000 0.875000 0.125000 Si\n0.250000 0.625000 0.375000 Si\n0.625000 0.750000 0.375000 Si\n0.584976 0.899011 0.392303 O\n0.392303 0.584976 0.899011 O\n0.307327 0.314034 0.915024 O\n0.493292 0.600989 0.185966 O\n0.314034 0.899011 0.006708 O\n0.107697 0.006708 0.192673 O\n0.392303 0.307327 0.493292 O\n0.899011 0.392303 0.584976 O\n0.185966 0.192673 0.584976 O\n0.493292 0.392303 0.307327 O\n0.899011 0.006708 0.314034 O\n0.600989 0.915024 0.107697 O\n0.915024 0.107697 0.600989 O\n0.307327 0.493292 0.392303 O\n0.584976 0.185966 0.192673 O\n0.192673 0.584976 0.185966 O\n0.006708 0.314034 0.899011 O\n0.915024 0.307327 0.314034 O\n0.006708 0.192673 0.107697 O\n0.814034 0.807327 0.415024 O\n0.185966 0.493292 0.600989 O\n0.600989 0.185966 0.493292 O\n0.192673 0.107697 0.006708 O\n0.107697 0.600989 0.915024 O\n0.415024 0.100989 0.607697 O\n0.607697 0.415024 0.100989 O\n0.692673 0.685966 0.084976 O\n0.506708 0.399011 0.814034 O\n0.685966 0.100989 0.993292 O\n0.892303 0.993292 0.807327 O\n0.607697 0.692673 0.506708 O\n0.100989 0.607697 0.415024 O\n0.892303 0.399011 0.084976 O\n0.807327 0.892303 0.993292 O\n0.399011 0.814034 0.506708 O\n0.685966 0.084976 0.692673 O\n0.814034 0.506708 0.399011 O\n0.993292 0.807327 0.892303 O\n0.084976 0.692673 0.685966 O\n0.993292 0.685966 0.100989 O\n0.807327 0.415024 0.814034 O\n0.415024 0.814034 0.807327 O\n0.692673 0.506708 0.607697 O\n0.084976 0.892303 0.399011 O\n0.399011 0.084976 0.892303 O\n0.100989 0.993292 0.685966 O\n0.506708 0.607697 0.692673 O\n0.314034 0.915024 0.307327 O\n",
"nsites": 68,
"nelements": 3,
"elements": [
"Cr",
"Si",
"O"
],
"chemical_system": "Cr-O-Si",
"density": 3.225836018048561,
"density_atomic": 0.08685255444062652,
"volume": 782.9360971355844,
"volume_molar": 6.933752033875767,
"formula_full": "Cr8 Si12 O48",
"formula_reduced": "Cr2(SiO4)3",
"formula_anonymous": "A2B3C12",
"energy": -520.86918778,
"energy_per_atom": -7.659840996764705,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -471.90118778,
"band_gap": 0.5603,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0001996,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:52.581000Z",
"spacegroup": 230
},
{
"id": "mp-1522211",
"created_at": "2022-09-04T14:48:29.645891Z",
"structure_string": "Na1 Pr1 Mn1 W1 O6\n1.0\n-0.000000 -4.032044 -4.032044\n4.032044 0.000000 -4.032044\n4.032044 -4.032044 0.000000\nNa Pr Mn W O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Na\n0.750000 0.750000 0.750000 Pr\n-0.000000 -0.000000 -0.000000 Mn\n0.500000 0.500000 0.500000 W\n0.739722 0.260278 0.260278 O\n0.260278 0.739722 0.739722 O\n0.739722 0.260278 0.739722 O\n0.260278 0.739722 0.260278 O\n0.739722 0.739722 0.260278 O\n0.260278 0.260278 0.739722 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Na",
"Pr",
"Mn",
"W",
"O"
],
"chemical_system": "Mn-Na-O-Pr-W",
"density": 6.316233533516602,
"density_atomic": 0.07627710755234514,
"volume": 131.10093343717188,
"volume_molar": 7.895082749260396,
"formula_full": "Na1 Pr1 Mn1 W1 O6",
"formula_reduced": "NaPrMnWO6",
"formula_anonymous": "ABCDE6",
"energy": -82.84405059,
"energy_per_atom": -8.284405059,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -72.61605059,
"band_gap": 1.1303,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.9999996,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:52.585000Z",
"spacegroup": 216
},
{
"id": "mp-1233010",
"created_at": "2022-09-04T14:48:29.207198Z",
"structure_string": "Rb2 Li1 Nd2 W4 O16\n1.0\n7.056816 0.083200 3.605016\n-1.707668 6.847587 3.605016\n0.121114 0.156925 7.616771\nRb Li Nd W O\n2 1 2 4 16\ndirect\n0.793602 0.206398 0.750000 Rb\n0.210299 0.789701 0.250000 Rb\n0.506465 0.493535 0.750000 Li\n0.221791 0.778209 0.750000 Nd\n0.771767 0.228233 0.250000 Nd\n0.694028 0.711095 0.798722 W\n0.704869 0.694603 0.290551 W\n0.305397 0.295131 0.209449 W\n0.288905 0.305972 0.701278 W\n0.585816 0.378364 0.473027 O\n0.231318 0.039982 0.809021 O\n0.059002 0.364609 0.865273 O\n0.364513 0.064040 0.366932 O\n0.756486 0.643500 0.546764 O\n0.356500 0.243514 0.953236 O\n0.635391 0.940998 0.634727 O\n0.414060 0.622254 0.539176 O\n0.041547 0.236490 0.311309 O\n0.763510 0.958453 0.188691 O\n0.377746 0.585940 0.960824 O\n0.935960 0.635487 0.133068 O\n0.250555 0.367847 0.439575 O\n0.632153 0.749445 0.060425 O\n0.960018 0.768682 0.690979 O\n0.621636 0.414184 0.026973 O\n",
"nsites": 25,
"nelements": 5,
"elements": [
"Rb",
"Li",
"Nd",
"W",
"O"
],
"chemical_system": "Li-Nd-O-Rb-W",
"density": 6.70096744182786,
"density_atomic": 0.06920810979818705,
"volume": 361.22934252793146,
"volume_molar": 8.701495789381829,
"formula_full": "Rb2 Li1 Nd2 W4 O16",
"formula_reduced": "Rb2LiNd2(WO4)4",
"formula_anonymous": "AB2C2D4E16",
"energy": -208.20962289,
"energy_per_atom": -8.3283849156,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -179.46562289,
"band_gap": 0.1251000000000002,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 1.0007749,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:52.605000Z",
"spacegroup": 5
},
{
"id": "mp-1187086",
"created_at": "2022-09-04T14:48:30.436818Z",
"structure_string": "Sr2 Hg1 Ge1\n1.0\n0.000000 3.939872 3.939872\n3.939872 0.000000 3.939872\n3.939872 3.939872 0.000000\nSr Hg Ge\n2 1 1\ndirect\n0.750000 0.750000 0.750000 Sr\n0.250000 0.250000 0.250000 Sr\n0.000000 0.000000 0.000000 Hg\n0.500000 0.500000 0.500000 Ge\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sr",
"Hg",
"Ge"
],
"chemical_system": "Ge-Hg-Sr",
"density": 6.088441826213512,
"density_atomic": 0.03270270359150001,
"volume": 122.31404626251354,
"volume_molar": 18.41481008795021,
"formula_full": "Sr2 Hg1 Ge1",
"formula_reduced": "Sr2HgGe",
"formula_anonymous": "ABC2",
"energy": -10.54911325,
"energy_per_atom": -2.6372783125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -10.54911325,
"band_gap": 0.0453999999999998,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0012479,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:52.609000Z",
"spacegroup": 225
},
{
"id": "mp-1221067",
"created_at": "2022-09-04T14:48:30.446772Z",
"structure_string": "Na1 Ce1 S2\n1.0\n4.085330 0.000000 0.000000\n0.000000 4.085330 0.000000\n0.000000 0.000000 5.596556\nNa Ce S\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Na\n0.500000 0.500000 0.500000 Ce\n0.000000 0.000000 0.500000 S\n0.500000 0.500000 0.000000 S\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Na",
"Ce",
"S"
],
"chemical_system": "Ce-Na-S",
"density": 4.039714304956736,
"density_atomic": 0.04282376539595849,
"volume": 93.40607868119653,
"volume_molar": 14.062613841445017,
"formula_full": "Na1 Ce1 S2",
"formula_reduced": "NaCeS2",
"formula_anonymous": "ABC2",
"energy": -23.23831069,
"energy_per_atom": -5.8095776725,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -22.23231069,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.9264007,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:52.640000Z",
"spacegroup": 123
},
{
"id": "mp-754868",
"created_at": "2022-09-04T14:48:30.388635Z",
"structure_string": "Li8 Fe4 O8\n1.0\n-3.129725 -0.011842 0.006964\n-0.032523 -5.553139 5.187129\n0.009858 5.693866 5.328129\nLi Fe O\n8 4 8\ndirect\n0.999810 0.648814 0.983400 Li\n0.501188 0.401393 0.233627 Li\n0.500188 0.899915 0.735000 Li\n0.001614 0.153244 0.485275 Li\n0.500294 0.601185 0.766598 Li\n0.999866 0.350089 0.015003 Li\n0.998889 0.848605 0.516373 Li\n0.498479 0.096753 0.264729 Li\n0.000238 0.500425 0.499768 Fe\n0.499826 0.749565 0.250219 Fe\n0.500136 0.249784 0.750365 Fe\n0.999938 0.000233 0.999639 Fe\n0.005763 0.451254 0.792387 O\n0.504818 0.202119 0.042302 O\n0.501359 0.698322 0.542400 O\n0.000766 0.948668 0.291833 O\n0.494364 0.798745 0.957616 O\n0.998715 0.551675 0.207599 O\n0.995207 0.047883 0.707701 O\n0.499336 0.301331 0.458168 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Li",
"Fe",
"O"
],
"chemical_system": "Fe-Li-O",
"density": 3.6516440712392777,
"density_atomic": 0.10808818711684703,
"volume": 185.03409607915168,
"volume_molar": 5.571506859940078,
"formula_full": "Li8 Fe4 O8",
"formula_reduced": "Li2FeO2",
"formula_anonymous": "AB2C2",
"energy": -125.24196061,
"energy_per_atom": -6.262098030500001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -110.72196061,
"band_gap": 2.2850999999999995,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 16.0000565,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:52.664000Z",
"spacegroup": 164
},
{
"id": "mp-1227802",
"created_at": "2022-09-04T14:48:29.796559Z",
"structure_string": "Ca4 Al2 Pb2 O2 F16\n1.0\n5.549245 0.000000 0.000000\n-0.426794 5.540228 0.000000\n-2.569858 -0.220830 11.796517\nCa Al Pb O F\n4 2 2 2 16\ndirect\n0.443024 0.244334 0.385857 Ca\n0.550449 0.772118 0.619649 Ca\n0.953033 0.747295 0.389307 Ca\n0.039428 0.258747 0.617833 Ca\n0.211386 0.694470 0.813379 Al\n0.788422 0.297676 0.173588 Al\n0.802179 0.150231 0.905752 Pb\n0.261082 0.796464 0.108777 Pb\n0.739524 0.130495 0.738024 O\n0.925157 0.105770 0.073303 O\n0.748522 0.993208 0.501722 F\n0.249526 0.020917 0.506957 F\n0.365400 0.502205 0.733930 F\n0.641961 0.495416 0.265783 F\n0.917430 0.612056 0.717195 F\n0.085902 0.387096 0.271126 F\n0.249339 0.515864 0.500251 F\n0.745976 0.491926 0.500424 F\n0.509404 0.801918 0.905149 F\n0.479865 0.211553 0.090264 F\n0.149105 0.441191 0.903780 F\n0.840815 0.561503 0.090125 F\n0.248139 0.942576 0.719935 F\n0.740716 0.049685 0.270900 F\n0.242634 0.899140 0.292417 F\n0.071583 0.876145 0.904574 F\n",
"nsites": 26,
"nelements": 5,
"elements": [
"Ca",
"Al",
"Pb",
"O",
"F"
],
"chemical_system": "Al-Ca-F-O-Pb",
"density": 4.416749599946831,
"density_atomic": 0.07168990630942329,
"volume": 362.6730921893034,
"volume_molar": 8.400263119340162,
"formula_full": "Ca4 Al2 Pb2 O2 F16",
"formula_reduced": "Ca2AlPbOF8",
"formula_anonymous": "ABCD2E8",
"energy": -155.20640718,
"energy_per_atom": -5.96947719923077,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -146.44040718,
"band_gap": 1.8579,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 3e-07,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:52.678000Z",
"spacegroup": 1
},
{
"id": "mp-1197286",
"created_at": "2022-09-04T14:48:29.575588Z",
"structure_string": "Ce18 Sb10 O10\n1.0\n10.197277 0.000000 0.000000\n0.000000 10.197277 0.000000\n0.000000 0.000000 9.180177\nCe Sb O\n18 10 10\ndirect\n0.500000 0.000000 0.670272 Ce\n0.000000 0.500000 0.329728 Ce\n0.103777 0.203220 0.656323 Ce\n0.896223 0.796780 0.656323 Ce\n0.296780 0.603777 0.656323 Ce\n0.703220 0.396223 0.656323 Ce\n0.396223 0.296780 0.343677 Ce\n0.603777 0.703220 0.343677 Ce\n0.203220 0.896223 0.343677 Ce\n0.796780 0.103777 0.343677 Ce\n0.726508 0.919602 0.000891 Ce\n0.273492 0.080398 0.000891 Ce\n0.580398 0.226508 0.000891 Ce\n0.419602 0.773492 0.000891 Ce\n0.773492 0.580398 0.999109 Ce\n0.226508 0.419602 0.999109 Ce\n0.919602 0.273492 0.999109 Ce\n0.080398 0.726508 0.999109 Ce\n0.500000 0.000000 0.308031 Sb\n0.000000 0.500000 0.691969 Sb\n0.402744 0.303057 0.701570 Sb\n0.597256 0.696943 0.701570 Sb\n0.196943 0.902744 0.701570 Sb\n0.803057 0.097256 0.701570 Sb\n0.097256 0.196943 0.298430 Sb\n0.902744 0.803057 0.298430 Sb\n0.303057 0.597256 0.298430 Sb\n0.696943 0.402744 0.298430 Sb\n0.500000 0.000000 0.923805 O\n0.000000 0.500000 0.076195 O\n0.777168 0.122284 0.093956 O\n0.222832 0.877716 0.093956 O\n0.377716 0.277168 0.093956 O\n0.622284 0.722832 0.093956 O\n0.722832 0.377716 0.906044 O\n0.277168 0.622284 0.906044 O\n0.122284 0.222832 0.906044 O\n0.877716 0.777168 0.906044 O\n",
"nsites": 38,
"nelements": 3,
"elements": [
"Ce",
"Sb",
"O"
],
"chemical_system": "Ce-O-Sb",
"density": 6.78357769005937,
"density_atomic": 0.039807427102054066,
"volume": 954.5957316603161,
"volume_molar": 15.128183855141085,
"formula_full": "Ce18 Sb10 O10",
"formula_reduced": "Ce9(SbO)5",
"formula_anonymous": "A5B5C9",
"energy": -283.69624126,
"energy_per_atom": -7.465690559473685,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -274.90624126,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 10.1675044,
"is_theoretical": false,
"updated_at": "2021-11-28T01:39:52.689000Z",
"spacegroup": 85
},
{
"id": "mp-1112591",
"created_at": "2022-09-04T14:48:27.846589Z",
"structure_string": "Cs2 Sc1 Cu1 F6\n1.0\n0.000000 4.433695 4.433695\n4.433695 0.000000 4.433695\n4.433695 4.433695 0.000000\nCs Sc Cu F\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.000000 0.000000 0.000000 Sc\n0.500000 0.500000 0.500000 Cu\n0.768044 0.231956 0.231956 F\n0.231956 0.231956 0.768044 F\n0.231956 0.768044 0.768044 F\n0.231956 0.768044 0.231956 F\n0.768044 0.231956 0.768044 F\n0.768044 0.768044 0.231956 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Cs",
"Sc",
"Cu",
"F"
],
"chemical_system": "Cs-Cu-F-Sc",
"density": 4.6516953173943625,
"density_atomic": 0.05736837681131169,
"volume": 174.31206103130037,
"volume_molar": 10.497317676962014,
"formula_full": "Cs2 Sc1 Cu1 F6",
"formula_reduced": "Cs2ScCuF6",
"formula_anonymous": "ABC2D6",
"energy": -55.01959385,
"energy_per_atom": -5.501959385,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -52.24759385,
"band_gap": 1.8308,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001815,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:52.727000Z",
"spacegroup": 225
},
{
"id": "mp-729279",
"created_at": "2022-09-04T14:48:30.191228Z",
"structure_string": "U3 O10\n1.0\n5.595960 0.000000 0.000000\n1.704208 -5.601861 0.000000\n2.380415 -1.289944 -6.769805\nU O\n3 10\ndirect\n0.000000 0.000000 0.000000 U\n0.554170 0.439891 0.732217 U\n0.445830 0.560109 0.267783 U\n0.909765 0.074400 0.761211 O\n0.090235 0.925600 0.238789 O\n0.672656 0.319431 0.457464 O\n0.327344 0.680569 0.542536 O\n0.300842 0.690374 0.956307 O\n0.699158 0.309626 0.043693 O\n0.686840 0.765018 0.147919 O\n0.313160 0.234982 0.852081 O\n0.789304 0.630960 0.651423 O\n0.210696 0.369040 0.348577 O\n",
"nsites": 13,
"nelements": 2,
"elements": [
"U",
"O"
],
"chemical_system": "O-U",
"density": 6.8393929153960205,
"density_atomic": 0.06125764026716822,
"volume": 212.2184260330953,
"volume_molar": 9.830840257207296,
"formula_full": "U3 O10",
"formula_reduced": "U3O10",
"formula_anonymous": "A3B10",
"energy": -124.38153167,
"energy_per_atom": -9.567810128461538,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -117.51153167,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.3243692,
"is_theoretical": false,
"updated_at": "2021-11-28T01:39:52.730000Z",
"spacegroup": 2
},
{
"id": "mp-7959",
"created_at": "2022-09-04T14:48:29.919892Z",
"structure_string": "K1 Er1 O2\n1.0\n6.330380 -1.723000 0.000000\n6.330380 1.723000 0.000000\n5.861414 0.000000 2.947246\nK Er O\n1 1 2\ndirect\n0.000000 0.000000 0.000000 K\n0.500000 0.500000 0.500000 Er\n0.772128 0.772128 0.772128 O\n0.227872 0.227872 0.227872 O\n",
"nsites": 4,
"nelements": 3,
"elements": [
"K",
"Er",
"O"
],
"chemical_system": "Er-K-O",
"density": 6.156217110454385,
"density_atomic": 0.062215493542793536,
"volume": 64.29266686197208,
"volume_molar": 9.679487241964583,
"formula_full": "K1 Er1 O2",
"formula_reduced": "KErO2",
"formula_anonymous": "ABC2",
"energy": -28.14718767,
"energy_per_atom": -7.0367969175,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -26.77318767,
"band_gap": 3.9606,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 8.3e-06,
"is_theoretical": false,
"updated_at": "2021-11-28T01:39:52.782000Z",
"spacegroup": 166
}
]
}