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=-is_theoretical&page=10267",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-is_theoretical&page=10265",
"results": [
{
"id": "mp-1192947",
"created_at": "2022-09-04T14:40:19.220522Z",
"structure_string": "Sc6 Al16 Ru7\n1.0\n0.000000 6.187036 6.187036\n6.187036 0.000000 6.187036\n6.187036 6.187036 0.000000\nSc Al Ru\n6 16 7\ndirect\n0.710052 0.710052 0.289948 Sc\n0.289948 0.710052 0.289948 Sc\n0.710052 0.289948 0.289948 Sc\n0.289948 0.289948 0.710052 Sc\n0.710052 0.289948 0.710052 Sc\n0.289948 0.710052 0.710052 Sc\n0.879542 0.879542 0.361374 Al\n0.879542 0.361374 0.879542 Al\n0.361374 0.879542 0.879542 Al\n0.879542 0.879542 0.879542 Al\n0.120458 0.120458 0.638626 Al\n0.120458 0.638626 0.120458 Al\n0.638626 0.120458 0.120458 Al\n0.120458 0.120458 0.120458 Al\n0.663730 0.663730 0.008810 Al\n0.663730 0.008810 0.663730 Al\n0.008810 0.663730 0.663730 Al\n0.663730 0.663730 0.663730 Al\n0.336270 0.336270 0.991190 Al\n0.336270 0.991190 0.336270 Al\n0.991190 0.336270 0.336270 Al\n0.336270 0.336270 0.336270 Al\n0.000000 0.000000 0.000000 Ru\n0.000000 0.000000 0.500000 Ru\n0.500000 0.000000 0.500000 Ru\n0.000000 0.500000 0.500000 Ru\n0.500000 0.500000 0.000000 Ru\n0.000000 0.500000 0.000000 Ru\n0.500000 0.000000 0.000000 Ru\n",
"nsites": 29,
"nelements": 3,
"elements": [
"Sc",
"Al",
"Ru"
],
"chemical_system": "Al-Ru-Sc",
"density": 4.939245546176918,
"density_atomic": 0.061223770615483494,
"volume": 473.6722307114142,
"volume_molar": 9.836278784301141,
"formula_full": "Sc6 Al16 Ru7",
"formula_reduced": "Sc6Al16Ru7",
"formula_anonymous": "A6B7C16",
"energy": -182.30933536,
"energy_per_atom": -6.286528805517242,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -182.30933536,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.033213,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:54.569000Z",
"spacegroup": 225
},
{
"id": "mp-2977",
"created_at": "2022-09-04T14:40:15.934371Z",
"structure_string": "Cu1 Ag1 Te2\n1.0\n3.149479 0.000000 0.000000\n0.000000 4.289990 0.000000\n0.000000 0.000000 7.612070\nCu Ag Te\n1 1 2\ndirect\n0.500000 0.000000 0.564060 Cu\n0.000000 0.500000 0.445183 Ag\n0.000000 0.000000 0.217870 Te\n0.500000 0.500000 0.772887 Te\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Cu",
"Ag",
"Te"
],
"chemical_system": "Ag-Cu-Te",
"density": 6.887896844095928,
"density_atomic": 0.03889217410000888,
"volume": 102.8484545429176,
"volume_molar": 15.48419675514778,
"formula_full": "Cu1 Ag1 Te2",
"formula_reduced": "CuAgTe2",
"formula_anonymous": "ABC2",
"energy": -14.07167875,
"energy_per_atom": -3.5179196875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -13.22767875,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 3.1e-06,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:57.171000Z",
"spacegroup": 25
},
{
"id": "mp-13583",
"created_at": "2022-09-04T14:40:19.223756Z",
"structure_string": "Sc4 Si4 Ru2\n1.0\n2.048041 5.053717 0.000000\n-2.048041 5.053717 0.000000\n0.000000 4.462367 8.388852\nSc Si Ru\n4 4 2\ndirect\n0.181718 0.181718 0.892419 Sc\n0.995270 0.995270 0.676865 Sc\n0.818282 0.818282 0.107581 Sc\n0.004730 0.004730 0.323135 Sc\n0.511820 0.511820 0.121868 Si\n0.639094 0.639094 0.435372 Si\n0.488180 0.488180 0.878132 Si\n0.360906 0.360906 0.564628 Si\n0.269622 0.269622 0.370402 Ru\n0.730378 0.730378 0.629598 Ru\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Sc",
"Si",
"Ru"
],
"chemical_system": "Ru-Sc-Si",
"density": 4.726749392876627,
"density_atomic": 0.057586131791446865,
"volume": 173.65292109245783,
"volume_molar": 10.457623342039538,
"formula_full": "Sc4 Si4 Ru2",
"formula_reduced": "Sc2Si2Ru",
"formula_anonymous": "AB2C2",
"energy": -74.18300375,
"energy_per_atom": -7.418300374999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -74.46700375,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.1567107,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:00.815000Z",
"spacegroup": 12
},
{
"id": "mp-1197830",
"created_at": "2022-09-04T14:40:14.834097Z",
"structure_string": "C16 I16\n1.0\n16.595465 0.000000 0.000000\n0.000000 16.595465 0.000000\n0.000000 0.000000 5.185029\nC I\n16 16\ndirect\n0.960136 0.227555 0.205162 C\n0.039864 0.772445 0.205162 C\n0.272445 0.460136 0.705162 C\n0.727555 0.539864 0.705162 C\n0.539864 0.272445 0.294838 C\n0.460136 0.727555 0.294838 C\n0.227555 0.039864 0.794838 C\n0.772445 0.960136 0.794838 C\n0.008795 0.276122 0.292112 C\n0.991205 0.723878 0.292112 C\n0.223878 0.508795 0.792112 C\n0.776122 0.491205 0.792112 C\n0.491205 0.223878 0.207888 C\n0.508795 0.776122 0.207888 C\n0.276122 0.991205 0.707888 C\n0.723878 0.008795 0.707888 C\n0.881291 0.148613 0.065866 I\n0.118709 0.851387 0.065866 I\n0.351387 0.381291 0.565866 I\n0.648613 0.618709 0.565866 I\n0.618709 0.351387 0.434134 I\n0.381291 0.648613 0.434134 I\n0.148613 0.118709 0.934134 I\n0.851387 0.881291 0.934134 I\n0.087755 0.354502 0.433876 I\n0.912245 0.645498 0.433876 I\n0.145498 0.587755 0.933876 I\n0.854502 0.412245 0.933876 I\n0.412245 0.145498 0.066124 I\n0.587755 0.854502 0.066124 I\n0.354502 0.912245 0.566124 I\n0.645498 0.087755 0.566124 I\n",
"nsites": 32,
"nelements": 2,
"elements": [
"C",
"I"
],
"chemical_system": "C-I",
"density": 2.5845724676964665,
"density_atomic": 0.022408868966963785,
"volume": 1428.0060295401752,
"volume_molar": 26.873916612561416,
"formula_full": "C16 I16",
"formula_reduced": "CI",
"formula_anonymous": "AB",
"energy": -147.74228764,
"energy_per_atom": -4.61694648875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -141.67828764,
"band_gap": 3.4211,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0124332,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:54.982000Z",
"spacegroup": 86
},
{
"id": "mp-13415",
"created_at": "2022-09-04T14:40:19.468110Z",
"structure_string": "Ta6 B4\n1.0\n6.214345 0.000000 0.000000\n0.000000 6.214345 0.000000\n0.000000 0.000000 3.301425\nTa B\n6 4\ndirect\n0.000000 0.000000 0.000000 Ta\n0.500000 0.500000 0.000000 Ta\n0.323049 0.823049 0.500000 Ta\n0.823049 0.676951 0.500000 Ta\n0.176951 0.323049 0.500000 Ta\n0.676951 0.176951 0.500000 Ta\n0.108332 0.608332 0.000000 B\n0.608332 0.891668 0.000000 B\n0.391668 0.108332 0.000000 B\n0.891668 0.391668 0.000000 B\n",
"nsites": 10,
"nelements": 2,
"elements": [
"Ta",
"B"
],
"chemical_system": "B-Ta",
"density": 14.70362601339527,
"density_atomic": 0.07843462851491194,
"volume": 127.49470724016761,
"volume_molar": 7.677910731552805,
"formula_full": "Ta6 B4",
"formula_reduced": "Ta3B2",
"formula_anonymous": "A2B3",
"energy": -104.58887113,
"energy_per_atom": -10.458887113,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -104.58887113,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0010084,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:57.524000Z",
"spacegroup": 127
},
{
"id": "mp-31136",
"created_at": "2022-09-04T14:40:19.423454Z",
"structure_string": "Lu2 Ni1 Sn6\n1.0\n2.183359 -11.133576 0.000000\n2.183359 11.133576 0.000000\n0.000000 0.000000 4.418152\nLu Ni Sn\n2 1 6\ndirect\n0.178919 0.821081 0.000000 Lu\n0.821081 0.178919 0.000000 Lu\n0.500000 0.500000 0.500000 Ni\n0.429446 0.570554 0.000000 Sn\n0.570554 0.429446 0.000000 Sn\n0.071589 0.928411 0.500000 Sn\n0.928411 0.071589 0.500000 Sn\n0.703246 0.296754 0.500000 Sn\n0.296754 0.703246 0.500000 Sn\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Lu",
"Ni",
"Sn"
],
"chemical_system": "Lu-Ni-Sn",
"density": 8.66524022835582,
"density_atomic": 0.04189980791394929,
"volume": 214.7981207571054,
"volume_molar": 14.372716868697406,
"formula_full": "Lu2 Ni1 Sn6",
"formula_reduced": "Lu2NiSn6",
"formula_anonymous": "AB2C6",
"energy": -42.3958504,
"energy_per_atom": -4.710650044444445,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -42.3958504,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.004149,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:51.265000Z",
"spacegroup": 65
},
{
"id": "mp-582572",
"created_at": "2022-09-04T14:40:19.481376Z",
"structure_string": "Er4 Ni4 Ge8\n1.0\n-2.072738 4.251779 7.965290\n2.072738 -4.251779 7.965290\n2.072738 4.251779 -7.965290\nEr Ni Ge\n4 4 8\ndirect\n0.704008 0.204008 0.500000 Er\n0.295992 0.795992 0.500000 Er\n0.259756 0.000000 0.259756 Er\n0.740244 0.000000 0.740244 Er\n0.601293 0.352315 0.248978 Ni\n0.103337 0.352315 0.751022 Ni\n0.896663 0.647685 0.248978 Ni\n0.398707 0.647685 0.751022 Ni\n0.961366 0.803882 0.157484 Ge\n0.353602 0.196118 0.157484 Ge\n0.920422 0.420422 0.500000 Ge\n0.577037 0.577037 0.000000 Ge\n0.079578 0.579578 0.500000 Ge\n0.038634 0.196118 0.842516 Ge\n0.646398 0.803882 0.842516 Ge\n0.422963 0.422963 0.000000 Ge\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Er",
"Ni",
"Ge"
],
"chemical_system": "Er-Ge-Ni",
"density": 8.781693722982526,
"density_atomic": 0.05698273720643459,
"volume": 280.7867923584628,
"volume_molar": 10.568359919572222,
"formula_full": "Er4 Ni4 Ge8",
"formula_reduced": "ErNiGe2",
"formula_anonymous": "ABC2",
"energy": -89.43834465,
"energy_per_atom": -5.589896540625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -89.43834465,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002399,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:48.212000Z",
"spacegroup": 71
},
{
"id": "mp-1102776",
"created_at": "2022-09-04T14:40:19.238806Z",
"structure_string": "Yb8 Pt4\n1.0\n4.407397 0.000000 0.000000\n0.000000 7.568008 0.000000\n0.000000 0.000000 8.915341\nYb Pt\n8 4\ndirect\n0.250000 0.855961 0.930034 Yb\n0.250000 0.355961 0.569966 Yb\n0.750000 0.144039 0.069966 Yb\n0.750000 0.644039 0.430034 Yb\n0.250000 0.975211 0.333939 Yb\n0.250000 0.475211 0.166061 Yb\n0.750000 0.024789 0.666061 Yb\n0.750000 0.524789 0.833939 Yb\n0.250000 0.244099 0.881274 Pt\n0.250000 0.744099 0.618726 Pt\n0.750000 0.755901 0.118726 Pt\n0.750000 0.255901 0.381274 Pt\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Yb",
"Pt"
],
"chemical_system": "Pt-Yb",
"density": 12.087494062988055,
"density_atomic": 0.04035334429570367,
"volume": 297.37312258596654,
"volume_molar": 14.923523353778545,
"formula_full": "Yb8 Pt4",
"formula_reduced": "Yb2Pt",
"formula_anonymous": "AB2",
"energy": -47.99661992,
"energy_per_atom": -3.9997183266666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -47.99661992,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003549,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:57.688000Z",
"spacegroup": 62
},
{
"id": "mp-1078980",
"created_at": "2022-09-04T14:40:14.946266Z",
"structure_string": "Eu4 Zn2 P4\n1.0\n2.073640 -7.893337 0.000000\n2.073640 7.893337 0.000000\n0.000000 0.000000 7.244623\nEu Zn P\n4 2 4\ndirect\n0.705521 0.294479 0.466571 Eu\n0.294479 0.705521 0.966571 Eu\n0.535624 0.464376 0.798451 Eu\n0.464376 0.535624 0.298451 Eu\n0.905536 0.094464 0.649871 Zn\n0.094464 0.905536 0.149871 Zn\n0.938941 0.061059 0.000753 P\n0.061059 0.938941 0.500753 P\n0.667875 0.332125 0.071043 P\n0.332125 0.667875 0.571043 P\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Eu",
"Zn",
"P"
],
"chemical_system": "Eu-P-Zn",
"density": 6.039530443857628,
"density_atomic": 0.042165786674256966,
"volume": 237.15909956223334,
"volume_molar": 14.282054800786236,
"formula_full": "Eu4 Zn2 P4",
"formula_reduced": "Eu2ZnP2",
"formula_anonymous": "AB2C2",
"energy": -75.25088011,
"energy_per_atom": -7.525088010999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -75.25088011,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 27.9961274,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:51.150000Z",
"spacegroup": 36
},
{
"id": "mp-27162",
"created_at": "2022-09-04T14:40:20.686648Z",
"structure_string": "Sc24 Co8\n1.0\n5.814247 0.000000 0.000000\n0.000000 8.590644 0.000000\n0.000000 0.000000 13.016756\nSc Co\n24 8\ndirect\n0.547626 0.750000 0.353991 Sc\n0.047626 0.250000 0.146009 Sc\n0.452374 0.250000 0.646009 Sc\n0.952374 0.750000 0.853991 Sc\n0.786469 0.750000 0.109056 Sc\n0.286469 0.250000 0.390944 Sc\n0.213531 0.250000 0.890944 Sc\n0.713531 0.750000 0.609056 Sc\n0.407524 0.932688 0.787381 Sc\n0.907524 0.067312 0.712619 Sc\n0.592476 0.432688 0.212619 Sc\n0.092476 0.567312 0.287381 Sc\n0.592476 0.067312 0.212619 Sc\n0.092476 0.932688 0.287381 Sc\n0.407524 0.567312 0.787381 Sc\n0.907524 0.432688 0.712619 Sc\n0.244902 0.935693 0.535427 Sc\n0.744902 0.064307 0.964573 Sc\n0.755098 0.435693 0.464573 Sc\n0.255098 0.564307 0.035427 Sc\n0.755098 0.064307 0.464573 Sc\n0.255098 0.935693 0.035427 Sc\n0.244902 0.564307 0.535427 Sc\n0.744902 0.435693 0.964573 Sc\n0.946136 0.750000 0.440486 Co\n0.446136 0.250000 0.059514 Co\n0.053864 0.250000 0.559514 Co\n0.553864 0.750000 0.940486 Co\n0.372602 0.750000 0.179835 Co\n0.872602 0.250000 0.320165 Co\n0.627398 0.250000 0.820165 Co\n0.127398 0.750000 0.679835 Co\n",
"nsites": 32,
"nelements": 2,
"elements": [
"Sc",
"Co"
],
"chemical_system": "Co-Sc",
"density": 3.9597975255492113,
"density_atomic": 0.04921845930285623,
"volume": 650.1625701669004,
"volume_molar": 12.23553285758891,
"formula_full": "Sc24 Co8",
"formula_reduced": "Sc3Co",
"formula_anonymous": "AB3",
"energy": -215.95972764,
"energy_per_atom": -6.74874148875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -215.95972764,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.1457932,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:49.733000Z",
"spacegroup": 62
},
{
"id": "mp-558502",
"created_at": "2022-09-04T14:40:14.865689Z",
"structure_string": "Fe4 Te4 O12 F4\n1.0\n5.181510 0.000000 0.000000\n0.000000 5.148906 0.000000\n0.000000 3.508187 12.423747\nFe Te O F\n4 4 12 4\ndirect\n0.757623 0.105568 0.929325 Fe\n0.242377 0.894432 0.070675 Fe\n0.257623 0.894432 0.570675 Fe\n0.742377 0.105568 0.429325 Fe\n0.804427 0.323630 0.170005 Te\n0.695573 0.323630 0.670005 Te\n0.304427 0.676370 0.329995 Te\n0.195573 0.676370 0.829995 Te\n0.394725 0.549042 0.662759 O\n0.936164 0.132030 0.069027 O\n0.916439 0.066540 0.298065 O\n0.605275 0.450958 0.337241 O\n0.063836 0.867970 0.930973 O\n0.894725 0.450958 0.837241 O\n0.416439 0.933460 0.201935 O\n0.105275 0.549042 0.162759 O\n0.563836 0.132030 0.569027 O\n0.436164 0.867970 0.430973 O\n0.083561 0.933460 0.701935 O\n0.583561 0.066540 0.798065 O\n0.435316 0.240811 0.985254 F\n0.564684 0.759189 0.014746 F\n0.064684 0.240811 0.485254 F\n0.935316 0.759189 0.514746 F\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Fe",
"Te",
"O",
"F"
],
"chemical_system": "F-Fe-O-Te",
"density": 5.018704916916735,
"density_atomic": 0.07240813123740912,
"volume": 331.45448708391166,
"volume_molar": 8.316939903137158,
"formula_full": "Fe4 Te4 O12 F4",
"formula_reduced": "FeTeO3F",
"formula_anonymous": "ABCD3",
"energy": -157.75300775,
"energy_per_atom": -6.573041989583333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -138.63700775,
"band_gap": 1.4996,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 20.003134,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:47.309000Z",
"spacegroup": 14
},
{
"id": "mp-541738",
"created_at": "2022-09-04T14:40:19.249411Z",
"structure_string": "Cs6 Cr4 I18\n1.0\n8.332063 -7.060440 0.000000\n8.332063 7.060440 0.000000\n2.349173 0.000000 10.665574\nCs Cr I\n6 4 18\ndirect\n0.584058 0.915942 0.250000 Cs\n0.915942 0.250000 0.584058 Cs\n0.250000 0.584058 0.915942 Cs\n0.415942 0.084058 0.750000 Cs\n0.084058 0.750000 0.415942 Cs\n0.750000 0.415942 0.084058 Cs\n0.833349 0.833349 0.833349 Cr\n0.666651 0.666651 0.666651 Cr\n0.166651 0.166651 0.166651 Cr\n0.333349 0.333349 0.333349 Cr\n0.098015 0.401985 0.250000 I\n0.401985 0.250000 0.098015 I\n0.250000 0.098015 0.401985 I\n0.901985 0.598015 0.750000 I\n0.598015 0.750000 0.901985 I\n0.750000 0.901985 0.598015 I\n0.260609 0.937448 0.102432 I\n0.937448 0.102432 0.260609 I\n0.102432 0.260609 0.937448 I\n0.562552 0.239391 0.397568 I\n0.239391 0.397568 0.562552 I\n0.397568 0.562552 0.239391 I\n0.739391 0.062552 0.897568 I\n0.062552 0.897568 0.739391 I\n0.897568 0.739391 0.062552 I\n0.437448 0.760609 0.602432 I\n0.760609 0.602432 0.437448 I\n0.602432 0.437448 0.760609 I\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Cs",
"Cr",
"I"
],
"chemical_system": "Cr-Cs-I",
"density": 4.3531790552462475,
"density_atomic": 0.022313078360520266,
"volume": 1254.8694334145266,
"volume_molar": 26.989287012299027,
"formula_full": "Cs6 Cr4 I18",
"formula_reduced": "Cs3Cr2I9",
"formula_anonymous": "A2B3C9",
"energy": -103.82940975,
"energy_per_atom": -3.708193205357143,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -97.00740975,
"band_gap": 1.0526000000000002,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 11.999705,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:51.827000Z",
"spacegroup": 167
}
]
}