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_per_atom&page=12139",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=formation_energy_per_atom&page=12137",
"results": [
{
"id": "mp-1518482",
"created_at": "2022-09-04T14:43:51.029750Z",
"structure_string": "Sr1 Zr1 In1 Sb1 O6\n1.0\n0.000000 -4.128975 -4.128975\n4.128975 0.000000 -4.128975\n4.128975 -4.128975 0.000000\nSr Zr In Sb O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Sr\n0.500000 0.500000 0.500000 Zr\n0.250000 0.250000 0.250000 In\n0.000000 -0.000000 0.000000 Sb\n0.756291 0.243709 0.243709 O\n0.243709 0.756291 0.756291 O\n0.756291 0.243709 0.756291 O\n0.243709 0.756291 0.243709 O\n0.756291 0.756291 0.243709 O\n0.243709 0.243709 0.756291 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Sr",
"Zr",
"In",
"Sb",
"O"
],
"chemical_system": "In-O-Sb-Sr-Zr",
"density": 6.0321021993726225,
"density_atomic": 0.07103023382788157,
"volume": 140.78512009733367,
"volume_molar": 8.478278101396482,
"formula_full": "Sr1 Zr1 In1 Sb1 O6",
"formula_reduced": "SrZrInSbO6",
"formula_anonymous": "ABCDE6",
"energy": -72.67715768,
"energy_per_atom": -7.2677157679999995,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -68.55515768,
"band_gap": 0.8413000000000004,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:28.311000Z",
"spacegroup": 216
},
{
"id": "mp-1225404",
"created_at": "2022-09-04T14:43:51.076404Z",
"structure_string": "Gd1 Cr2 Fe10\n1.0\n0.000991 -0.005931 4.687812\n-4.217285 4.205330 2.337589\n-4.233032 -4.220231 -2.339470\nGd Cr Fe\n1 2 10\ndirect\n0.999944 0.000059 0.999947 Gd\n0.000012 0.366734 0.366716 Cr\n0.000007 0.633220 0.633278 Cr\n0.726114 0.773998 0.226122 Fe\n0.273923 0.225956 0.773906 Fe\n0.499870 0.771108 0.771018 Fe\n0.500120 0.228915 0.228982 Fe\n0.499969 0.000029 0.500023 Fe\n0.000025 0.000030 0.500024 Fe\n0.499999 0.499977 0.999974 Fe\n0.999995 0.499978 0.999973 Fe\n0.642048 0.358310 0.641775 Fe\n0.357973 0.641687 0.358262 Fe\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Gd",
"Cr",
"Fe"
],
"chemical_system": "Cr-Fe-Gd",
"density": 8.150501612334127,
"density_atomic": 0.07784447428968927,
"volume": 166.99965050341265,
"volume_molar": 7.73611847847966,
"formula_full": "Gd1 Cr2 Fe10",
"formula_reduced": "Gd(CrFe5)2",
"formula_anonymous": "AB2C10",
"energy": -112.71862020000002,
"energy_per_atom": -8.670663092307693,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -112.71862020000002,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 16.2443351,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:17.970000Z",
"spacegroup": 71
},
{
"id": "mp-1204958",
"created_at": "2022-09-04T14:43:51.196221Z",
"structure_string": "Cs4 Mn4 N36\n1.0\n7.784629 0.000000 0.000000\n0.000000 6.525709 0.000000\n0.000000 5.308057 15.216470\nCs Mn N\n4 4 36\ndirect\n0.603669 0.066831 0.147057 Cs\n0.896331 0.066831 0.647057 Cs\n0.396331 0.933169 0.852943 Cs\n0.103669 0.933169 0.352943 Cs\n0.062296 0.439904 0.109204 Mn\n0.437704 0.439904 0.609204 Mn\n0.937704 0.560096 0.890796 Mn\n0.562296 0.560096 0.390796 Mn\n0.822025 0.505679 0.022402 N\n0.677975 0.505679 0.522402 N\n0.177975 0.494321 0.977598 N\n0.322025 0.494321 0.477598 N\n0.706000 0.614746 0.034571 N\n0.794000 0.614746 0.534571 N\n0.294000 0.385254 0.965429 N\n0.206000 0.385254 0.465429 N\n0.592891 0.719681 0.046857 N\n0.907109 0.719681 0.546857 N\n0.407109 0.280319 0.953143 N\n0.092891 0.280319 0.453143 N\n0.891582 0.380136 0.228081 N\n0.608418 0.380136 0.728081 N\n0.108418 0.619864 0.771919 N\n0.391582 0.619864 0.271919 N\n0.844075 0.497694 0.265973 N\n0.655925 0.497694 0.765973 N\n0.155925 0.502306 0.734027 N\n0.344075 0.502306 0.234027 N\n0.795833 0.614544 0.304102 N\n0.704167 0.614544 0.804102 N\n0.204167 0.385456 0.695898 N\n0.295833 0.385456 0.195898 N\n0.057442 0.089606 0.137486 N\n0.442558 0.089606 0.637486 N\n0.942558 0.910394 0.862514 N\n0.557442 0.910394 0.362514 N\n0.067265 0.937309 0.113001 N\n0.432735 0.937309 0.613001 N\n0.932735 0.062691 0.886999 N\n0.567265 0.062691 0.386999 N\n0.076819 0.784723 0.089427 N\n0.423181 0.784723 0.589427 N\n0.923181 0.215277 0.910573 N\n0.576819 0.215277 0.410573 N\n",
"nsites": 44,
"nelements": 3,
"elements": [
"Cs",
"Mn",
"N"
],
"chemical_system": "Cs-Mn-N",
"density": 2.6972805474123906,
"density_atomic": 0.056921080983823896,
"volume": 773.0000772912962,
"volume_molar": 10.579807438497875,
"formula_full": "Cs4 Mn4 N36",
"formula_reduced": "CsMnN9",
"formula_anonymous": "ABC9",
"energy": -345.97150237,
"energy_per_atom": -7.862988690227272,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -332.97550237,
"band_gap": 0.0,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 20.0036616,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:18.806000Z",
"spacegroup": 14
},
{
"id": "mp-1046970",
"created_at": "2022-09-04T14:43:51.217748Z",
"structure_string": "Ba1 Zn1 Sb4 O8\n1.0\n3.070716 -5.318636 0.000000\n3.070716 5.318636 0.000000\n0.000000 0.000000 7.177002\nBa Zn Sb O\n1 1 4 8\ndirect\n0.000000 0.000000 0.000000 Ba\n0.000000 0.000000 0.500000 Zn\n0.333333 0.666667 0.717519 Sb\n0.666667 0.333333 0.717519 Sb\n0.333333 0.666667 0.282481 Sb\n0.666667 0.333333 0.282481 Sb\n0.287895 0.287895 0.702706 O\n0.712105 0.000000 0.702706 O\n0.000000 0.712105 0.702706 O\n0.712105 0.712105 0.297294 O\n0.000000 0.287895 0.297294 O\n0.287895 0.000000 0.297294 O\n0.333333 0.666667 0.000000 O\n0.666667 0.333333 0.000000 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Ba",
"Zn",
"Sb",
"O"
],
"chemical_system": "Ba-O-Sb-Zn",
"density": 5.7925251150558745,
"density_atomic": 0.05971934723925136,
"volume": 234.42988993018176,
"volume_molar": 10.084069967934722,
"formula_full": "Ba1 Zn1 Sb4 O8",
"formula_reduced": "BaZn(SbO2)4",
"formula_anonymous": "ABC4D8",
"energy": -82.98324246,
"energy_per_atom": -5.927374461428571,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -77.48724246,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003368,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:24.378000Z",
"spacegroup": 162
},
{
"id": "mp-1198596",
"created_at": "2022-09-04T14:43:51.274387Z",
"structure_string": "Li4 P14 H54 N18\n1.0\n9.460529 0.000000 0.000000\n-4.633749 8.519518 0.000000\n-0.431244 -2.787690 13.448865\nLi P H N\n4 14 54 18\ndirect\n0.664234 0.857838 0.075231 Li\n0.335766 0.142162 0.924769 Li\n0.096094 0.719919 0.373316 Li\n0.903906 0.280081 0.626684 Li\n0.336173 0.205074 0.380462 P\n0.663827 0.794926 0.619538 P\n0.375534 0.445098 0.457107 P\n0.624466 0.554902 0.542893 P\n0.546790 0.260395 0.301728 P\n0.453210 0.739605 0.698272 P\n0.145137 0.165972 0.268005 P\n0.854863 0.834028 0.731995 P\n0.450250 0.577190 0.334571 P\n0.549750 0.422810 0.665429 P\n0.543204 0.439369 0.230515 P\n0.456796 0.560631 0.769485 P\n0.278382 0.379123 0.208187 P\n0.721618 0.620877 0.791813 P\n0.348103 0.695932 0.030404 H\n0.651897 0.304068 0.969596 H\n0.428704 0.600314 0.965581 H\n0.571296 0.399686 0.034419 H\n0.404164 0.585610 0.083200 H\n0.595836 0.414390 0.916800 H\n0.637454 0.887372 0.265877 H\n0.362546 0.112628 0.734123 H\n0.806401 0.042000 0.248166 H\n0.193599 0.958000 0.751834 H\n0.631630 0.039248 0.230421 H\n0.368370 0.960752 0.769579 H\n0.798792 0.693865 0.124271 H\n0.201208 0.306135 0.875729 H\n0.851641 0.738676 0.014989 H\n0.148359 0.261324 0.985011 H\n0.944078 0.876350 0.119352 H\n0.055922 0.123650 0.880648 H\n0.764467 0.109650 0.992530 H\n0.235533 0.890350 0.007470 H\n0.754578 0.957868 0.909357 H\n0.245422 0.042132 0.090643 H\n0.590664 0.965900 0.928315 H\n0.409336 0.034100 0.071685 H\n0.295031 0.736042 0.242427 H\n0.704969 0.263958 0.757573 H\n0.132787 0.721809 0.183733 H\n0.867213 0.278191 0.816267 H\n0.270083 0.895484 0.250704 H\n0.729917 0.104516 0.749296 H\n0.047333 0.455096 0.428833 H\n0.952667 0.544904 0.571167 H\n0.871655 0.425276 0.376390 H\n0.128345 0.574724 0.623610 H\n0.009581 0.416608 0.309643 H\n0.990419 0.583392 0.690357 H\n0.970632 0.905860 0.362580 H\n0.029368 0.094140 0.637420 H\n0.820533 0.718124 0.339038 H\n0.179467 0.281876 0.660962 H\n0.897908 0.809721 0.453607 H\n0.102092 0.190279 0.546393 H\n0.318613 0.785424 0.519053 H\n0.681387 0.214576 0.480947 H\n0.361008 0.948743 0.474918 H\n0.638992 0.051257 0.525082 H\n0.225798 0.888807 0.551964 H\n0.774202 0.111193 0.448036 H\n0.843341 0.407913 0.136382 H\n0.156659 0.592087 0.863618 H\n0.989668 0.360726 0.129236 H\n0.010332 0.639274 0.870764 H\n0.957764 0.449164 0.046940 H\n0.042236 0.550836 0.953060 H\n0.435644 0.663094 0.035096 N\n0.564356 0.336906 0.964904 N\n0.685923 0.968854 0.220755 N\n0.314077 0.031146 0.779245 N\n0.835107 0.782492 0.084020 N\n0.164893 0.217508 0.915980 N\n0.697840 0.988314 0.964806 N\n0.302160 0.011686 0.035194 N\n0.211093 0.774259 0.248134 N\n0.788907 0.225741 0.751866 N\n0.994480 0.478855 0.372417 N\n0.005520 0.521145 0.627583 N\n0.928010 0.797183 0.382999 N\n0.071990 0.202817 0.617001 N\n0.269496 0.848736 0.493275 N\n0.730504 0.151264 0.506725 N\n0.899556 0.363781 0.087775 N\n0.100444 0.636219 0.912225 N\n",
"nsites": 90,
"nelements": 4,
"elements": [
"Li",
"P",
"H",
"N"
],
"chemical_system": "H-Li-N-P",
"density": 1.1764235658851032,
"density_atomic": 0.08302835415707831,
"volume": 1083.9670485305815,
"volume_molar": 7.253113494947681,
"formula_full": "Li4 P14 H54 N18",
"formula_reduced": "Li2P7(H3N)9",
"formula_anonymous": "A2B7C9D27",
"energy": -454.58497105,
"energy_per_atom": -5.050944122777778,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -448.0869710500001,
"band_gap": 2.0905,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 2.82e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:19.959000Z",
"spacegroup": 2
},
{
"id": "mp-631421",
"created_at": "2022-09-04T14:43:51.307811Z",
"structure_string": "Cr1 Ga1 Te1\n1.0\n0.000000 3.358118 3.358118\n3.358118 0.000000 3.358118\n3.358118 3.358118 0.000000\nCr Ga Te\n1 1 1\ndirect\n0.500000 0.500000 0.500000 Cr\n0.750000 0.750000 0.750000 Ga\n0.000000 0.000000 0.000000 Te\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Cr",
"Ga",
"Te"
],
"chemical_system": "Cr-Ga-Te",
"density": 5.46621606765699,
"density_atomic": 0.03960986855244538,
"volume": 75.73870122865605,
"volume_molar": 15.203637325951723,
"formula_full": "Cr1 Ga1 Te1",
"formula_reduced": "CrGaTe",
"formula_anonymous": "ABC",
"energy": -14.7553464,
"energy_per_atom": -4.9184488,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.3333464,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.6751824,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:20.370000Z",
"spacegroup": 216
},
{
"id": "mp-650503",
"created_at": "2022-09-04T14:43:51.395443Z",
"structure_string": "Rb6 V4 Br18\n1.0\n3.795126 -6.573350 0.000000\n3.795126 6.573350 0.000000\n0.000000 0.000000 18.823818\nRb V Br\n6 4 18\ndirect\n0.666667 0.333333 0.569907 Rb\n0.333333 0.666667 0.069907 Rb\n0.333333 0.666667 0.430093 Rb\n0.666667 0.333333 0.930093 Rb\n0.000000 0.000000 0.250000 Rb\n0.000000 0.000000 0.750000 Rb\n0.333333 0.666667 0.663131 V\n0.666667 0.333333 0.336869 V\n0.333333 0.666667 0.836869 V\n0.666667 0.333333 0.163131 V\n0.825120 0.650240 0.409264 Br\n0.174880 0.825120 0.590736 Br\n0.650240 0.825120 0.590736 Br\n0.825120 0.174880 0.409264 Br\n0.349760 0.174880 0.409264 Br\n0.174880 0.349760 0.909264 Br\n0.022414 0.511207 0.750000 Br\n0.650240 0.825120 0.909264 Br\n0.825120 0.650240 0.090736 Br\n0.174880 0.349760 0.590736 Br\n0.488793 0.977586 0.750000 Br\n0.511207 0.488793 0.250000 Br\n0.488793 0.511207 0.750000 Br\n0.174880 0.825120 0.909264 Br\n0.349760 0.174880 0.090736 Br\n0.977586 0.488793 0.250000 Br\n0.511207 0.022414 0.250000 Br\n0.825120 0.174880 0.090736 Br\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Rb",
"V",
"Br"
],
"chemical_system": "Br-Rb-V",
"density": 3.809907454336426,
"density_atomic": 0.029813115610667244,
"volume": 939.1839606988776,
"volume_molar": 20.19963575308196,
"formula_full": "Rb6 V4 Br18",
"formula_reduced": "Rb3V2Br9",
"formula_anonymous": "A2B3C9",
"energy": -117.67601884,
"energy_per_atom": -4.202714958571429,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -108.06401884,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 8.013382,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:31.857000Z",
"spacegroup": 194
},
{
"id": "mp-1026600",
"created_at": "2022-09-04T14:43:51.416092Z",
"structure_string": "Cs1 Mg14 Mo1\n1.0\n6.453731 0.000000 0.000000\n-3.226866 5.589094 -0.000000\n0.000000 0.000000 10.752863\nCs Mg Mo\n1 14 1\ndirect\n0.166667 0.333333 0.125000 Cs\n0.175654 0.837827 0.125000 Mg\n0.156065 0.828032 0.625000 Mg\n0.662173 0.324346 0.125000 Mg\n0.671968 0.343935 0.625000 Mg\n0.662173 0.837827 0.125000 Mg\n0.671968 0.828032 0.625000 Mg\n0.331751 0.168249 0.407619 Mg\n0.331751 0.168249 0.842381 Mg\n0.331751 0.663502 0.407619 Mg\n0.331751 0.663502 0.842381 Mg\n0.836498 0.168249 0.407619 Mg\n0.836498 0.168249 0.842381 Mg\n0.833333 0.666667 0.362504 Mg\n0.833333 0.666667 0.887496 Mg\n0.166667 0.333333 0.625000 Mo\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Cs",
"Mg",
"Mo"
],
"chemical_system": "Cs-Mg-Mo",
"density": 2.436537437591537,
"density_atomic": 0.04125186584836549,
"volume": 387.86124387229296,
"volume_molar": 14.598468787172722,
"formula_full": "Cs1 Mg14 Mo1",
"formula_reduced": "CsMg14Mo",
"formula_anonymous": "ABC14",
"energy": -29.49319798,
"energy_per_atom": -1.84332487375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -29.49319798,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.6944091,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:24.756000Z",
"spacegroup": 187
},
{
"id": "mp-862887",
"created_at": "2022-09-04T14:43:51.444981Z",
"structure_string": "Li1 Sc2 Os1\n1.0\n0.000000 3.269559 3.269559\n3.269559 0.000000 3.269559\n3.269559 3.269559 0.000000\nLi Sc Os\n1 2 1\ndirect\n0.500000 0.500000 0.500000 Li\n0.250000 0.250000 0.250000 Sc\n0.750000 0.750000 0.750000 Sc\n0.000000 0.000000 0.000000 Os\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Sc",
"Os"
],
"chemical_system": "Li-Os-Sc",
"density": 6.819598009389145,
"density_atomic": 0.05722192443439202,
"volume": 69.90327640214569,
"volume_molar": 10.524184251972693,
"formula_full": "Li1 Sc2 Os1",
"formula_reduced": "LiSc2Os",
"formula_anonymous": "ABC2",
"energy": -27.1249303,
"energy_per_atom": -6.781232575,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -27.1249303,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0032085,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:22.989000Z",
"spacegroup": 225
},
{
"id": "mp-1219831",
"created_at": "2022-09-04T14:43:51.053274Z",
"structure_string": "Rb1 Cr15 Te24\n1.0\n-0.031087 -3.966640 -9.634697\n-0.011157 11.875563 0.010014\n9.946489 5.926323 -2.496446\nRb Cr Te\n1 15 24\ndirect\n0.000000 0.000000 0.000000 Rb\n0.512888 0.679405 0.315799 Cr\n0.513250 0.013891 0.316742 Cr\n0.513578 0.345642 0.315877 Cr\n0.486422 0.654358 0.684123 Cr\n0.486750 0.986109 0.683258 Cr\n0.487112 0.320595 0.684201 Cr\n0.832679 0.813814 0.592605 Cr\n0.833690 0.150031 0.589768 Cr\n0.833060 0.482759 0.591937 Cr\n0.166940 0.517241 0.408063 Cr\n0.166310 0.849969 0.410232 Cr\n0.167321 0.186186 0.407395 Cr\n0.500000 0.000000 0.000000 Cr\n0.500850 0.333753 0.000446 Cr\n0.499150 0.666247 0.999554 Cr\n0.663499 0.627681 0.853168 Te\n0.663158 0.960522 0.853637 Te\n0.663884 0.295020 0.853413 Te\n0.336116 0.704980 0.146587 Te\n0.336842 0.039478 0.146363 Te\n0.336501 0.372319 0.146832 Te\n0.658333 0.626173 0.519849 Te\n0.657581 0.959689 0.519912 Te\n0.658347 0.293030 0.519624 Te\n0.341653 0.706970 0.480376 Te\n0.342419 0.040311 0.480088 Te\n0.341667 0.373827 0.480151 Te\n0.005433 0.662866 0.342714 Te\n0.005213 0.996850 0.343176 Te\n0.005233 0.330533 0.341496 Te\n0.994767 0.669467 0.658504 Te\n0.994787 0.003150 0.656824 Te\n0.994567 0.337134 0.657286 Te\n0.669381 0.968124 0.178032 Te\n0.671362 0.301785 0.177378 Te\n0.669500 0.633240 0.177661 Te\n0.330500 0.366760 0.822339 Te\n0.328638 0.698215 0.822622 Te\n0.330619 0.031876 0.821968 Te\n",
"nsites": 40,
"nelements": 3,
"elements": [
"Rb",
"Cr",
"Te"
],
"chemical_system": "Cr-Rb-Te",
"density": 5.724674354917574,
"density_atomic": 0.03510842013881843,
"volume": 1139.327826254793,
"volume_molar": 17.152981353727967,
"formula_full": "Rb1 Cr15 Te24",
"formula_reduced": "Rb(Cr5Te8)3",
"formula_anonymous": "AB15C24",
"energy": -241.33752178,
"energy_per_atom": -6.0334380445,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -231.20952178,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 43.079617,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:24.664000Z",
"spacegroup": 2
},
{
"id": "mp-865882",
"created_at": "2022-09-04T14:43:51.211327Z",
"structure_string": "Li2 Sm1 In1\n1.0\n0.000000 3.480985 3.480985\n3.480985 0.000000 3.480985\n3.480985 3.480985 0.000000\nLi Sm In\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Li\n0.750000 0.750000 0.750000 Li\n0.000000 0.000000 0.000000 Sm\n0.500000 0.500000 0.500000 In\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Sm",
"In"
],
"chemical_system": "In-Li-Sm",
"density": 5.493008058078493,
"density_atomic": 0.04741584997204122,
"volume": 84.35997672420935,
"volume_molar": 12.70069135858781,
"formula_full": "Li2 Sm1 In1",
"formula_reduced": "Li2SmIn",
"formula_anonymous": "ABC2",
"energy": -12.5206531,
"energy_per_atom": -3.130163275,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -12.5206531,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004826,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:19.279000Z",
"spacegroup": 225
},
{
"id": "mp-545544",
"created_at": "2022-09-04T14:43:51.462253Z",
"structure_string": "Ba2 Ta1 Bi1 O6\n1.0\n3.053340 5.286902 0.000000\n-3.053340 5.286902 0.000000\n0.000000 3.561684 5.034435\nBa Ta Bi O\n2 1 1 6\ndirect\n0.750929 0.750929 0.244936 Ba\n0.249071 0.249071 0.755064 Ba\n0.500000 0.500000 0.000000 Ta\n0.000000 0.000000 0.500000 Bi\n0.300576 0.765220 0.194730 O\n0.699424 0.234780 0.805270 O\n0.765220 0.300576 0.194730 O\n0.729136 0.729136 0.710609 O\n0.234780 0.699424 0.805270 O\n0.270864 0.270864 0.289391 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Ba",
"Ta",
"Bi",
"O"
],
"chemical_system": "Ba-Bi-O-Ta",
"density": 7.770269533391349,
"density_atomic": 0.06152375568743672,
"volume": 162.5388419199191,
"volume_molar": 9.788317850091413,
"formula_full": "Ba2 Ta1 Bi1 O6",
"formula_reduced": "Ba2TaBiO6",
"formula_anonymous": "ABC2D6",
"energy": -78.78894666,
"energy_per_atom": -7.878894665999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -74.66694666,
"band_gap": 2.6385,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002067,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:23.959000Z",
"spacegroup": 12
}
]
}