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_reduced&page=10185",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=formula_reduced&page=10183",
"results": [
{
"id": "mp-1095684",
"created_at": "2022-09-04T14:40:37.730883Z",
"structure_string": "Sr4 In4 Pd4\n1.0\n4.560814 0.000000 0.000000\n0.000000 7.728446 0.000000\n0.000000 0.000000 8.678420\nSr In Pd\n4 4 4\ndirect\n0.250000 0.029374 0.321189 Sr\n0.250000 0.529374 0.178811 Sr\n0.750000 0.970626 0.678811 Sr\n0.750000 0.470626 0.821189 Sr\n0.250000 0.145686 0.934638 In\n0.250000 0.645686 0.565362 In\n0.750000 0.854314 0.065362 In\n0.750000 0.354314 0.434638 In\n0.250000 0.278940 0.621571 Pd\n0.250000 0.778940 0.878429 Pd\n0.750000 0.721060 0.378429 Pd\n0.750000 0.221060 0.121571 Pd\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Sr",
"In",
"Pd"
],
"chemical_system": "In-Pd-Sr",
"density": 6.706450777117901,
"density_atomic": 0.03922889217093842,
"volume": 305.8969890791321,
"volume_molar": 15.351289385789302,
"formula_full": "Sr4 In4 Pd4",
"formula_reduced": "SrInPd",
"formula_anonymous": "ABC",
"energy": -46.31945379,
"energy_per_atom": -3.8599544824999996,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -46.31945379,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.001852,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:06.554000Z",
"spacegroup": 62
},
{
"id": "mp-22284",
"created_at": "2022-09-04T14:42:07.346180Z",
"structure_string": "Sr4 In4 Pt4\n1.0\n4.568546 0.000000 0.000000\n0.000000 7.661536 0.000000\n0.000000 0.000000 8.625492\nSr In Pt\n4 4 4\ndirect\n0.750000 0.969652 0.678628 Sr\n0.250000 0.030348 0.321372 Sr\n0.750000 0.469652 0.821372 Sr\n0.250000 0.530348 0.178628 Sr\n0.750000 0.352586 0.435291 In\n0.250000 0.147414 0.935291 In\n0.250000 0.647414 0.564709 In\n0.750000 0.852586 0.064709 In\n0.250000 0.777694 0.879465 Pt\n0.250000 0.277694 0.620535 Pt\n0.750000 0.722306 0.379465 Pt\n0.750000 0.222306 0.120535 Pt\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Sr",
"In",
"Pt"
],
"chemical_system": "In-Pt-Sr",
"density": 8.74565884446096,
"density_atomic": 0.0397469236559111,
"volume": 301.91015797559413,
"volume_molar": 15.151212235023872,
"formula_full": "Sr4 In4 Pt4",
"formula_reduced": "SrInPt",
"formula_anonymous": "ABC",
"energy": -51.23081157,
"energy_per_atom": -4.2692342975,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -51.23081157,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0022806,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:34.826000Z",
"spacegroup": 62
},
{
"id": "mp-21781",
"created_at": "2022-09-04T14:44:59.432545Z",
"structure_string": "Sr8 In16 S32\n1.0\n0.000000 10.644506 10.720141\n6.596556 0.000000 10.720141\n6.596556 10.644506 0.000000\nSr In S\n8 16 32\ndirect\n0.750000 0.750000 0.750000 Sr\n0.500000 0.500000 0.500000 Sr\n0.250000 0.250000 0.250000 Sr\n0.000000 0.000000 0.000000 Sr\n0.003409 0.496591 0.003409 Sr\n0.496591 0.003409 0.496591 Sr\n0.246591 0.753409 0.246591 Sr\n0.753409 0.246591 0.753409 Sr\n0.270270 0.087141 0.980945 In\n0.661645 0.980945 0.087141 In\n0.980945 0.661645 0.270270 In\n0.087141 0.270270 0.661645 In\n0.979730 0.162859 0.269055 In\n0.588355 0.269055 0.162859 In\n0.269055 0.588355 0.979730 In\n0.162859 0.979730 0.588355 In\n0.510841 0.764621 0.236728 In\n0.487810 0.236728 0.764621 In\n0.236728 0.487810 0.510841 In\n0.764621 0.510841 0.487810 In\n0.739159 0.485379 0.013272 In\n0.762190 0.013272 0.485379 In\n0.013272 0.762190 0.739159 In\n0.485379 0.739159 0.762190 In\n0.768745 0.809186 0.479145 S\n0.942924 0.479145 0.809186 S\n0.479145 0.942924 0.768745 S\n0.809186 0.768745 0.942924 S\n0.481255 0.440814 0.770855 S\n0.307076 0.770855 0.440814 S\n0.770855 0.307076 0.481255 S\n0.440814 0.481255 0.307076 S\n0.977026 0.461438 0.277603 S\n0.283933 0.277603 0.461438 S\n0.277603 0.283933 0.977026 S\n0.461438 0.977026 0.283933 S\n0.272974 0.788562 0.972397 S\n0.966067 0.972397 0.788562 S\n0.972397 0.966067 0.272974 S\n0.788562 0.272974 0.966067 S\n0.711540 0.036474 0.215084 S\n0.036903 0.215084 0.036474 S\n0.215084 0.036903 0.711540 S\n0.036474 0.711540 0.036903 S\n0.538460 0.213526 0.034916 S\n0.213097 0.034916 0.213526 S\n0.034916 0.213097 0.538460 S\n0.213526 0.538460 0.213097 S\n0.715430 0.035885 0.710067 S\n0.538617 0.710067 0.035885 S\n0.710067 0.538617 0.715430 S\n0.035885 0.715430 0.538617 S\n0.534570 0.214115 0.539933 S\n0.711383 0.539933 0.214115 S\n0.539933 0.711383 0.534570 S\n0.214115 0.534570 0.711383 S\n",
"nsites": 56,
"nelements": 3,
"elements": [
"Sr",
"In",
"S"
],
"chemical_system": "In-S-Sr",
"density": 3.9312361442845316,
"density_atomic": 0.03719758706960862,
"volume": 1505.4739947299815,
"volume_molar": 16.189600547827585,
"formula_full": "Sr8 In16 S32",
"formula_reduced": "Sr(InS2)2",
"formula_anonymous": "AB2C4",
"energy": -264.56739611,
"energy_per_atom": -4.724417787678571,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -248.47139611,
"band_gap": 2.1496,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 5.19e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:51.957000Z",
"spacegroup": 70
},
{
"id": "mp-21733",
"created_at": "2022-09-04T14:45:25.211099Z",
"structure_string": "Sr8 In16 Se32\n1.0\n0.000000 11.179271 11.200029\n6.848878 0.000000 11.200029\n6.848878 11.179271 0.000000\nSr In Se\n8 16 32\ndirect\n0.750000 0.750000 0.750000 Sr\n0.500000 0.500000 0.500000 Sr\n0.250000 0.250000 0.250000 Sr\n0.000000 0.000000 0.000000 Sr\n0.002725 0.497275 0.002725 Sr\n0.497275 0.002725 0.497275 Sr\n0.247275 0.752725 0.247275 Sr\n0.752725 0.247275 0.752725 Sr\n0.267220 0.091728 0.982321 In\n0.658731 0.982321 0.091728 In\n0.982321 0.658731 0.267220 In\n0.091728 0.267220 0.658731 In\n0.982780 0.158272 0.267679 In\n0.591269 0.267679 0.158272 In\n0.267679 0.591269 0.982780 In\n0.158272 0.982780 0.591269 In\n0.510973 0.762144 0.237875 In\n0.489008 0.237875 0.762144 In\n0.237875 0.489008 0.510973 In\n0.762144 0.510973 0.489008 In\n0.739027 0.487856 0.012125 In\n0.760992 0.012125 0.487856 In\n0.012125 0.760992 0.739027 In\n0.487856 0.739027 0.760992 In\n0.765952 0.807798 0.480632 Se\n0.945619 0.480632 0.807798 Se\n0.480632 0.945619 0.765951 Se\n0.807798 0.765952 0.945619 Se\n0.484049 0.442202 0.769368 Se\n0.304381 0.769368 0.442202 Se\n0.769368 0.304381 0.484048 Se\n0.442202 0.484049 0.304381 Se\n0.978297 0.457321 0.273841 Se\n0.290542 0.273841 0.457321 Se\n0.273841 0.290542 0.978297 Se\n0.457321 0.978297 0.290542 Se\n0.271703 0.792679 0.976159 Se\n0.959458 0.976159 0.792679 Se\n0.976159 0.959458 0.271703 Se\n0.792679 0.271703 0.959458 Se\n0.714068 0.036122 0.215967 Se\n0.033843 0.215967 0.036122 Se\n0.215967 0.033843 0.714068 Se\n0.036122 0.714068 0.033843 Se\n0.535932 0.213878 0.034033 Se\n0.216157 0.034033 0.213878 Se\n0.034033 0.216157 0.535932 Se\n0.213878 0.535932 0.216157 Se\n0.713391 0.537296 0.715567 Se\n0.033746 0.715567 0.537296 Se\n0.715567 0.033746 0.713391 Se\n0.537296 0.713391 0.033746 Se\n0.536609 0.712704 0.534433 Se\n0.216254 0.534433 0.712704 Se\n0.534433 0.216254 0.536609 Se\n0.712704 0.536609 0.216254 Se\n",
"nsites": 56,
"nelements": 3,
"elements": [
"Sr",
"In",
"Se"
],
"chemical_system": "In-Se-Sr",
"density": 4.903730531471644,
"density_atomic": 0.032651712953305635,
"volume": 1715.0708166546774,
"volume_molar": 18.44356762725468,
"formula_full": "Sr8 In16 Se32",
"formula_reduced": "Sr(InSe2)2",
"formula_anonymous": "AB2C4",
"energy": -240.17060179,
"energy_per_atom": -4.28876074625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -225.06660179,
"band_gap": 1.5637,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0001528,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:55.074000Z",
"spacegroup": 70
},
{
"id": "mp-35663",
"created_at": "2022-09-04T14:48:13.470970Z",
"structure_string": "Sr1 In2 Te4\n1.0\n-4.412365 4.412365 3.614241\n4.412365 -4.412365 3.614241\n4.412365 4.412365 -3.614241\nSr In Te\n1 2 4\ndirect\n0.500000 0.500000 0.000000 Sr\n0.250000 0.750000 0.500000 In\n0.750000 0.250000 0.500000 In\n0.830665 0.316185 0.146851 Te\n0.683815 0.830665 0.514480 Te\n0.316185 0.169335 0.485520 Te\n0.169335 0.683815 0.853149 Te\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Sr",
"In",
"Te"
],
"chemical_system": "In-Sr-Te",
"density": 4.882913193963353,
"density_atomic": 0.024870131320439057,
"volume": 281.4621245786177,
"volume_molar": 24.21435046887273,
"formula_full": "Sr1 In2 Te4",
"formula_reduced": "Sr(InTe2)2",
"formula_anonymous": "AB2C4",
"energy": -26.04432397,
"energy_per_atom": -3.72061771,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -24.35632397,
"band_gap": 1.0210000000000004,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 6.74e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:43.881000Z",
"spacegroup": 87
},
{
"id": "mp-20397",
"created_at": "2022-09-04T14:40:36.381571Z",
"structure_string": "Sr2 In4 Te8\n1.0\n3.624657 -5.966215 0.000000\n3.624657 5.966215 0.000000\n0.000000 0.000000 12.044306\nSr In Te\n2 4 8\ndirect\n0.500000 0.500000 0.250000 Sr\n0.500000 0.500000 0.750000 Sr\n0.231327 0.763539 0.500000 In\n0.768673 0.236461 0.500000 In\n0.763539 0.231327 0.000000 In\n0.236461 0.768673 0.000000 In\n0.656285 0.791518 0.500000 Te\n0.343715 0.208482 0.500000 Te\n0.791518 0.656285 0.000000 Te\n0.208482 0.343715 0.000000 Te\n0.500000 0.000000 0.183413 Te\n0.000000 0.500000 0.316587 Te\n0.500000 0.000000 0.816587 Te\n0.000000 0.500000 0.683413 Te\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Sr",
"In",
"Te"
],
"chemical_system": "In-Sr-Te",
"density": 5.276565931820821,
"density_atomic": 0.026875121967675837,
"volume": 520.9278684144599,
"volume_molar": 22.407863924275965,
"formula_full": "Sr2 In4 Te8",
"formula_reduced": "Sr(InTe2)2",
"formula_anonymous": "AB2C4",
"energy": -53.09218562,
"energy_per_atom": -3.792298972857143,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -49.71618562,
"band_gap": 0.8837999999999999,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0013808,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:59.605000Z",
"spacegroup": 66
},
{
"id": "mp-689810",
"created_at": "2022-09-04T14:41:50.065549Z",
"structure_string": "Sr4 I4 O4\n1.0\n4.150945 0.000000 0.000000\n0.000000 7.711498 0.000000\n0.000000 0.000000 10.949323\nSr I O\n4 4 4\ndirect\n0.250000 0.688705 0.416296 Sr\n0.250000 0.188705 0.083704 Sr\n0.750000 0.311295 0.583704 Sr\n0.750000 0.811295 0.916296 Sr\n0.750000 0.541932 0.173405 I\n0.750000 0.041932 0.326595 I\n0.250000 0.458068 0.826595 I\n0.250000 0.958068 0.673405 I\n0.250000 0.889266 0.022239 O\n0.250000 0.389266 0.477761 O\n0.750000 0.110734 0.977761 O\n0.750000 0.610734 0.522239 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Sr",
"I",
"O"
],
"chemical_system": "I-O-Sr",
"density": 4.368697699328505,
"density_atomic": 0.034237989097184875,
"volume": 350.48787374567706,
"volume_molar": 17.589060919746462,
"formula_full": "Sr4 I4 O4",
"formula_reduced": "SrIO",
"formula_anonymous": "ABC",
"energy": -55.38249923,
"energy_per_atom": -4.615208269166667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -51.11849923,
"band_gap": 0.0644,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 3.9991925,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:30.530000Z",
"spacegroup": 62
},
{
"id": "mp-1189257",
"created_at": "2022-09-04T14:46:27.719803Z",
"structure_string": "Sr4 I8 O8\n1.0\n0.000000 4.120673 0.000000\n0.000000 0.000000 10.865832\n14.191408 0.000000 0.000000\nSr I O\n4 8 8\ndirect\n0.750000 0.806864 0.123313 Sr\n0.750000 0.306864 0.376687 Sr\n0.250000 0.193136 0.876687 Sr\n0.250000 0.693136 0.623313 Sr\n0.750000 0.590002 0.820065 I\n0.750000 0.090002 0.679935 I\n0.250000 0.409998 0.179935 I\n0.250000 0.909998 0.320065 I\n0.750000 0.127356 0.103667 I\n0.750000 0.627356 0.396333 I\n0.250000 0.872644 0.896333 I\n0.250000 0.372644 0.603667 I\n0.250000 0.808022 0.026382 O\n0.250000 0.308022 0.473618 O\n0.750000 0.191978 0.973618 O\n0.750000 0.691978 0.526382 O\n0.250000 0.776957 0.224385 O\n0.250000 0.276957 0.275615 O\n0.750000 0.223043 0.775615 O\n0.750000 0.723043 0.724385 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Sr",
"I",
"O"
],
"chemical_system": "I-O-Sr",
"density": 3.903543657897154,
"density_atomic": 0.03147555318036322,
"volume": 635.413772885729,
"volume_molar": 19.132755905802657,
"formula_full": "Sr4 I8 O8",
"formula_reduced": "Sr(IO)2",
"formula_anonymous": "AB2C2",
"energy": -84.81450708,
"energy_per_atom": -4.240725354,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -79.31850708,
"band_gap": 0.9267,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0009627,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:37.110000Z",
"spacegroup": 62
},
{
"id": "mp-1179408",
"created_at": "2022-09-04T14:45:12.830537Z",
"structure_string": "Sr4 I8 O8\n1.0\n11.793044 0.000000 0.000000\n0.000000 4.627920 0.000000\n0.000000 1.191366 11.628422\nSr I O\n4 8 8\ndirect\n0.678244 0.890069 0.859919 Sr\n0.178244 0.109931 0.640081 Sr\n0.321756 0.109931 0.140081 Sr\n0.821756 0.890069 0.359919 Sr\n0.562986 0.684274 0.131806 I\n0.062986 0.315726 0.368194 I\n0.437014 0.315726 0.868194 I\n0.937014 0.684274 0.631806 I\n0.987190 0.894733 0.888230 I\n0.487190 0.105267 0.611770 I\n0.012810 0.105267 0.111770 I\n0.512810 0.894733 0.388230 I\n0.747434 0.378128 0.906495 O\n0.247434 0.621872 0.593505 O\n0.252566 0.621872 0.093505 O\n0.752566 0.378128 0.406495 O\n0.724828 0.409544 0.790177 O\n0.224828 0.590456 0.709823 O\n0.275172 0.590456 0.209823 O\n0.775172 0.409544 0.290177 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Sr",
"I",
"O"
],
"chemical_system": "I-O-Sr",
"density": 3.9082570422551823,
"density_atomic": 0.03151355874479964,
"volume": 634.647459589133,
"volume_molar": 19.109681673110853,
"formula_full": "Sr4 I8 O8",
"formula_reduced": "Sr(IO)2",
"formula_anonymous": "AB2C2",
"energy": -80.40027656999999,
"energy_per_atom": -4.0200138285,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -79.11227657,
"band_gap": 0.5611999999999999,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.0297736,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:54.266000Z",
"spacegroup": 14
},
{
"id": "mp-1179388",
"created_at": "2022-09-04T14:46:01.545962Z",
"structure_string": "Sr4 I8 O8\n1.0\n4.772379 0.000000 0.000000\n-0.081127 11.010864 0.000000\n-2.228642 -0.046075 11.634362\nSr I O\n4 8 8\ndirect\n0.387666 0.267123 0.156782 Sr\n0.580253 0.788845 0.358687 Sr\n0.567558 0.715212 0.858199 Sr\n0.382882 0.240546 0.664456 Sr\n0.195333 0.438413 0.917654 I\n0.015009 0.889390 0.622841 I\n0.982213 0.603625 0.122596 I\n0.168444 0.056024 0.424448 I\n0.386903 0.965650 0.119991 I\n0.611647 0.480965 0.375781 I\n0.615999 0.027011 0.880980 I\n0.388133 0.536369 0.617440 I\n0.860207 0.238244 0.100153 O\n0.086860 0.729348 0.378728 O\n0.078581 0.772010 0.879509 O\n0.851510 0.262048 0.598459 O\n0.911812 0.298106 0.204136 O\n0.019455 0.759363 0.261790 O\n0.011132 0.739240 0.761731 O\n0.898403 0.192469 0.695638 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Sr",
"I",
"O"
],
"chemical_system": "I-O-Sr",
"density": 4.05710986074261,
"density_atomic": 0.03271380785559656,
"volume": 611.3626419853924,
"volume_molar": 18.408559427207596,
"formula_full": "Sr4 I8 O8",
"formula_reduced": "Sr(IO)2",
"formula_anonymous": "AB2C2",
"energy": -78.29771631,
"energy_per_atom": -3.9148858155,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -77.00971631,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.2347446,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:20.628000Z",
"spacegroup": 1
},
{
"id": "mp-754869",
"created_at": "2022-09-04T14:43:17.503283Z",
"structure_string": "Sr2 I4 O12\n1.0\n5.447608 0.000000 0.000000\n0.000000 6.196711 0.000000\n0.000000 0.104171 10.607402\nSr I O\n2 4 12\ndirect\n0.596727 0.775596 0.742096 Sr\n0.096727 0.224404 0.257904 Sr\n0.494469 0.724766 0.395318 I\n0.986396 0.729921 0.072730 I\n0.486396 0.270079 0.927270 I\n0.994469 0.275234 0.604682 I\n0.838208 0.984997 0.114376 O\n0.311784 0.867327 0.275985 O\n0.383532 0.852682 0.538959 O\n0.806021 0.646399 0.936011 O\n0.838600 0.536056 0.595656 O\n0.353515 0.448106 0.806653 O\n0.853515 0.551894 0.193347 O\n0.338600 0.463944 0.404344 O\n0.306021 0.353601 0.063989 O\n0.883532 0.147318 0.461041 O\n0.811784 0.132673 0.724015 O\n0.338208 0.015003 0.885624 O\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Sr",
"I",
"O"
],
"chemical_system": "I-O-Sr",
"density": 4.057017788898967,
"density_atomic": 0.05026855320982325,
"volume": 358.07674680564554,
"volume_molar": 11.979936511924878,
"formula_full": "Sr2 I4 O12",
"formula_reduced": "Sr(IO3)2",
"formula_anonymous": "AB2C6",
"energy": -96.10879936,
"energy_per_atom": -5.339377742222222,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -87.86479936,
"band_gap": 3.8321,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 2.69e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:12.327000Z",
"spacegroup": 4
},
{
"id": "mp-754521",
"created_at": "2022-09-04T14:46:38.170570Z",
"structure_string": "Sr2 I4 O12\n1.0\n4.079796 6.158838 0.000000\n-4.079796 6.158838 0.000000\n0.000000 5.073792 6.438730\nSr I O\n2 4 12\ndirect\n0.343139 0.656861 0.750000 Sr\n0.656861 0.343139 0.250000 Sr\n0.842154 0.787756 0.207093 I\n0.787756 0.842154 0.707093 I\n0.212244 0.157846 0.292907 I\n0.157846 0.212244 0.792907 I\n0.922433 0.243568 0.418210 O\n0.712562 0.913676 0.495670 O\n0.415609 0.306887 0.633853 O\n0.693113 0.584391 0.866147 O\n0.243568 0.922433 0.918210 O\n0.913676 0.712562 0.995670 O\n0.086324 0.287438 0.004330 O\n0.756432 0.077567 0.081790 O\n0.306887 0.415609 0.133853 O\n0.584391 0.693113 0.366147 O\n0.287438 0.086324 0.504330 O\n0.077567 0.756432 0.581790 O\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Sr",
"I",
"O"
],
"chemical_system": "I-O-Sr",
"density": 4.48968212089886,
"density_atomic": 0.05562948853888225,
"volume": 323.56939588648015,
"volume_molar": 10.82544693142527,
"formula_full": "Sr2 I4 O12",
"formula_reduced": "Sr(IO3)2",
"formula_anonymous": "AB2C6",
"energy": -96.49256756,
"energy_per_atom": -5.3606981977777775,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -88.24856756,
"band_gap": 3.2692,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 4.25e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:38.157000Z",
"spacegroup": 15
}
]
}