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=1744",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-formula_reduced&page=1742",
"results": [
{
"id": "mp-1105684",
"created_at": "2022-09-04T14:42:59.441608Z",
"structure_string": "Tb8 Te12\n1.0\n0.000000 6.188394 13.277601\n4.370212 0.000000 13.277601\n4.370212 6.188394 0.000000\nTb Te\n8 12\ndirect\n0.332632 0.332632 0.167368 Tb\n0.167368 0.167368 0.332632 Tb\n0.917368 0.917368 0.082632 Tb\n0.082632 0.082632 0.917368 Tb\n0.999853 0.999853 0.500147 Tb\n0.500147 0.500147 0.999853 Tb\n0.250147 0.250147 0.749853 Tb\n0.749853 0.749853 0.250147 Tb\n0.999161 0.500839 0.500839 Te\n0.500839 0.999161 0.999161 Te\n0.250839 0.749161 0.749161 Te\n0.749161 0.250839 0.250839 Te\n0.665797 0.168784 0.834175 Te\n0.834175 0.331244 0.665797 Te\n0.331244 0.834175 0.168784 Te\n0.168784 0.665797 0.331244 Te\n0.584203 0.081216 0.415825 Te\n0.415825 0.918756 0.584203 Te\n0.918756 0.415825 0.081216 Te\n0.081216 0.584203 0.918756 Te\n",
"nsites": 20,
"nelements": 2,
"elements": [
"Tb",
"Te"
],
"chemical_system": "Tb-Te",
"density": 6.4800831421050935,
"density_atomic": 0.027848379250706386,
"volume": 718.1746492299975,
"volume_molar": 21.62474413963335,
"formula_full": "Tb8 Te12",
"formula_reduced": "Tb2Te3",
"formula_anonymous": "A2B3",
"energy": -108.20440712,
"energy_per_atom": -5.410220356,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -103.14040712,
"band_gap": 0.5516999999999999,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0006963,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:07.722000Z",
"spacegroup": 70
},
{
"id": "mp-1206225",
"created_at": "2022-09-04T14:47:37.102866Z",
"structure_string": "Tb2 Te3\n1.0\n9.816850 0.000000 0.000000\n0.000000 9.816850 0.000000\n0.000000 0.000000 35.751802\nTb Te\n2 3\ndirect\n0.500000 0.500000 0.284070 Tb\n0.500000 0.500000 0.715930 Tb\n0.500000 0.500000 0.642031 Te\n0.500000 0.500000 0.357969 Te\n0.500000 0.500000 0.000000 Te\n",
"nsites": 5,
"nelements": 2,
"elements": [
"Tb",
"Te"
],
"chemical_system": "Tb-Te",
"density": 0.3376823885360381,
"density_atomic": 0.0014512016305983785,
"volume": 3445.4206049495233,
"volume_molar": 414.97615720820767,
"formula_full": "Tb2 Te3",
"formula_reduced": "Tb2Te3",
"formula_anonymous": "A2B3",
"energy": -12.76986251,
"energy_per_atom": -2.5539725019999997,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -11.50386251,
"band_gap": 0.1578000000000003,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.5737576,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:21.948000Z",
"spacegroup": 123
},
{
"id": "mp-1208801",
"created_at": "2022-09-04T14:44:59.199907Z",
"structure_string": "Tb8 S12 O48\n1.0\n9.295758 0.000000 0.000000\n0.000000 9.531417 0.000000\n0.000000 0.000000 12.977737\nTb S O\n8 12 48\ndirect\n0.252056 0.465582 0.117452 Tb\n0.747944 0.534418 0.882548 Tb\n0.247944 0.965582 0.382548 Tb\n0.252056 0.034418 0.882548 Tb\n0.752056 0.034418 0.617452 Tb\n0.747944 0.965582 0.117452 Tb\n0.247944 0.534418 0.617452 Tb\n0.752056 0.465582 0.382548 Tb\n0.529595 0.250000 0.000000 S\n0.470405 0.750000 0.000000 S\n0.970405 0.750000 0.500000 S\n0.029595 0.250000 0.500000 S\n0.105433 0.118497 0.144010 S\n0.894567 0.881503 0.855990 S\n0.394567 0.618497 0.355990 S\n0.105433 0.381503 0.855990 S\n0.605433 0.381503 0.644010 S\n0.894567 0.618497 0.144010 S\n0.394567 0.881503 0.644010 S\n0.605433 0.118497 0.355990 S\n0.167375 0.080455 0.042925 O\n0.832625 0.919545 0.957075 O\n0.332625 0.580455 0.457075 O\n0.167375 0.419545 0.957075 O\n0.667375 0.419545 0.542925 O\n0.832625 0.580455 0.042925 O\n0.332625 0.919545 0.542925 O\n0.667375 0.080455 0.457075 O\n0.169969 0.027584 0.224723 O\n0.830031 0.972416 0.775277 O\n0.330031 0.527584 0.275277 O\n0.169969 0.472416 0.775277 O\n0.669969 0.472416 0.724723 O\n0.830031 0.527584 0.224723 O\n0.330031 0.972416 0.724723 O\n0.669969 0.027584 0.275277 O\n0.122128 0.146914 0.446414 O\n0.877872 0.853086 0.553586 O\n0.377872 0.646914 0.053586 O\n0.122128 0.353086 0.553586 O\n0.622128 0.353086 0.946414 O\n0.877872 0.646914 0.446414 O\n0.377872 0.853086 0.946414 O\n0.622128 0.146914 0.053586 O\n0.136578 0.267562 0.168138 O\n0.863422 0.732438 0.831862 O\n0.363422 0.767562 0.331862 O\n0.136578 0.232438 0.831862 O\n0.636578 0.232438 0.668138 O\n0.863422 0.767562 0.168138 O\n0.363422 0.732438 0.668138 O\n0.636578 0.267562 0.331862 O\n0.438019 0.321746 0.077250 O\n0.561981 0.678254 0.922750 O\n0.061981 0.821746 0.422750 O\n0.438019 0.178254 0.922750 O\n0.938019 0.178254 0.577250 O\n0.561981 0.821746 0.077250 O\n0.061981 0.678254 0.577250 O\n0.938019 0.321746 0.422750 O\n0.447410 0.097965 0.357668 O\n0.552590 0.902035 0.642332 O\n0.052590 0.597965 0.142332 O\n0.447410 0.402035 0.642332 O\n0.947410 0.402035 0.857668 O\n0.552590 0.597965 0.357668 O\n0.052590 0.902035 0.857668 O\n0.947410 0.097965 0.142332 O\n",
"nsites": 68,
"nelements": 3,
"elements": [
"Tb",
"S",
"O"
],
"chemical_system": "O-S-Tb",
"density": 3.5008060855260137,
"density_atomic": 0.05913814047661884,
"volume": 1149.8501551107247,
"volume_molar": 10.18317571615385,
"formula_full": "Tb8 S12 O48",
"formula_reduced": "Tb2(SO4)3",
"formula_anonymous": "A2B3C12",
"energy": -505.01173443,
"energy_per_atom": -7.4266431533823525,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -472.03573443,
"band_gap": 5.7864,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.000501,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:47.929000Z",
"spacegroup": 60
},
{
"id": "mp-12668",
"created_at": "2022-09-04T14:43:44.891832Z",
"structure_string": "Tb2 S1 O2\n1.0\n1.916315 -3.319155 0.000000\n1.916315 3.319155 0.000000\n0.000000 0.000000 6.645905\nTb S O\n2 1 2\ndirect\n0.666667 0.333333 0.717852 Tb\n0.333333 0.666667 0.282148 Tb\n0.000000 0.000000 0.000000 S\n0.666667 0.333333 0.370582 O\n0.333333 0.666667 0.629418 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Tb",
"S",
"O"
],
"chemical_system": "O-S-Tb",
"density": 7.501302638156023,
"density_atomic": 0.059141379007534474,
"volume": 84.54317575792427,
"volume_molar": 10.182618094232792,
"formula_full": "Tb2 S1 O2",
"formula_reduced": "Tb2SO2",
"formula_anonymous": "AB2C2",
"energy": -41.18770742000001,
"energy_per_atom": -8.237541484000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -39.31070742,
"band_gap": 2.9772000000000003,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001377,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:20.108000Z",
"spacegroup": 164
},
{
"id": "mp-555069",
"created_at": "2022-09-04T14:46:16.320111Z",
"structure_string": "Tb4 Sn2 S10\n1.0\n3.831273 0.000000 0.000000\n0.000000 7.767562 0.000000\n0.000000 0.000000 11.376057\nTb Sn S\n4 2 10\ndirect\n0.500000 0.968159 0.327335 Tb\n0.500000 0.468159 0.172665 Tb\n0.500000 0.531841 0.827335 Tb\n0.500000 0.031841 0.672665 Tb\n0.000000 0.500000 0.500000 Sn\n0.000000 0.000000 0.000000 Sn\n0.500000 0.671631 0.596367 S\n0.000000 0.174890 0.196087 S\n0.500000 0.171631 0.903633 S\n0.000000 0.000000 0.500000 S\n0.500000 0.828369 0.096367 S\n0.000000 0.674890 0.303913 S\n0.000000 0.325110 0.696087 S\n0.000000 0.825110 0.803913 S\n0.500000 0.328369 0.403633 S\n0.000000 0.500000 0.000000 S\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Tb",
"Sn",
"S"
],
"chemical_system": "S-Sn-Tb",
"density": 5.855320617340837,
"density_atomic": 0.04726072675521261,
"volume": 338.54748114374445,
"volume_molar": 12.742378658694218,
"formula_full": "Tb4 Sn2 S10",
"formula_reduced": "Tb2SnS5",
"formula_anonymous": "AB2C5",
"energy": -95.65255143,
"energy_per_atom": -5.978284464375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -90.62255143,
"band_gap": 0.1322999999999998,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0021252,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:26.548000Z",
"spacegroup": 55
},
{
"id": "mp-1079634",
"created_at": "2022-09-04T14:43:12.592632Z",
"structure_string": "Tb4 Sn2 Au4\n1.0\n7.909950 0.000000 0.000000\n0.000000 7.909950 0.000000\n0.000000 0.000000 3.850802\nTb Sn Au\n4 2 4\ndirect\n0.672506 0.172506 0.500000 Tb\n0.327494 0.827494 0.500000 Tb\n0.172506 0.327494 0.500000 Tb\n0.827494 0.672506 0.500000 Tb\n0.500000 0.500000 0.000000 Sn\n0.000000 0.000000 0.000000 Sn\n0.126291 0.626291 0.000000 Au\n0.873709 0.373709 0.000000 Au\n0.626291 0.873709 0.000000 Au\n0.373709 0.126291 0.000000 Au\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Tb",
"Sn",
"Au"
],
"chemical_system": "Au-Sn-Tb",
"density": 11.447663166839092,
"density_atomic": 0.041505087595602584,
"volume": 240.934318641445,
"volume_molar": 14.509403807734737,
"formula_full": "Tb4 Sn2 Au4",
"formula_reduced": "Tb2SnAu2",
"formula_anonymous": "AB2C2",
"energy": -48.06790938,
"energy_per_atom": -4.806790938000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -48.06790938,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003925,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:16.739000Z",
"spacegroup": 127
},
{
"id": "mp-1189471",
"created_at": "2022-09-04T14:47:56.982919Z",
"structure_string": "Tb4 Sn10 Rh6\n1.0\n2.232863 -13.258534 0.000000\n2.232863 13.258534 0.000000\n0.000000 0.000000 7.242140\nTb Sn Rh\n4 10 6\ndirect\n0.171655 0.828345 0.755668 Tb\n0.828345 0.171655 0.255668 Tb\n0.476469 0.523531 0.734438 Tb\n0.523531 0.476469 0.234438 Tb\n0.879655 0.120345 0.734265 Sn\n0.120345 0.879655 0.234265 Sn\n0.705395 0.294605 0.050441 Sn\n0.294605 0.705395 0.550441 Sn\n0.596911 0.403089 0.609643 Sn\n0.403089 0.596911 0.109643 Sn\n0.952428 0.047572 0.401873 Sn\n0.047572 0.952428 0.901873 Sn\n0.289998 0.710002 0.976377 Sn\n0.710002 0.289998 0.476377 Sn\n0.050087 0.949913 0.518405 Rh\n0.949913 0.050087 0.018405 Rh\n0.776680 0.223320 0.765585 Rh\n0.223320 0.776680 0.265585 Rh\n0.393608 0.606392 0.481304 Rh\n0.606392 0.393608 0.981304 Rh\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Tb",
"Sn",
"Rh"
],
"chemical_system": "Rh-Sn-Tb",
"density": 9.449876808758107,
"density_atomic": 0.04664182123378581,
"volume": 428.79972245836433,
"volume_molar": 12.911461432466018,
"formula_full": "Tb4 Sn10 Rh6",
"formula_reduced": "Tb2Sn5Rh3",
"formula_anonymous": "A2B3C5",
"energy": -117.02849692,
"energy_per_atom": -5.851424846,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -117.02849692,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002488,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:21.416000Z",
"spacegroup": 36
},
{
"id": "mp-1209172",
"created_at": "2022-09-04T14:47:43.364986Z",
"structure_string": "Tb4 Sn6 Pb6 S24\n1.0\n-3.956359 0.000000 0.000000\n0.000000 0.000000 -11.690574\n0.000000 -20.548414 0.000000\nTb Sn Pb S\n4 6 6 24\ndirect\n0.500000 0.647837 0.412354 Tb\n0.500000 0.147837 0.587646 Tb\n0.500000 0.825457 0.894842 Tb\n0.500000 0.325457 0.105158 Tb\n0.000000 0.001773 0.750269 Sn\n0.000000 0.501773 0.249731 Sn\n0.000000 0.519294 0.912010 Sn\n0.000000 0.019294 0.087990 Sn\n0.000000 0.993026 0.426235 Sn\n0.000000 0.493026 0.573765 Sn\n0.500000 0.404319 0.741579 Pb\n0.500000 0.904319 0.258421 Pb\n0.500000 0.199273 0.913960 Pb\n0.500000 0.699273 0.086040 Pb\n0.500000 0.771564 0.622151 Pb\n0.500000 0.271564 0.377849 Pb\n0.000000 0.991860 0.875709 S\n0.000000 0.491860 0.124291 S\n0.000000 0.983668 0.626114 S\n0.000000 0.483668 0.373886 S\n0.000000 0.682756 0.509254 S\n0.000000 0.182756 0.490746 S\n0.500000 0.646583 0.258464 S\n0.500000 0.146583 0.741536 S\n0.500000 0.850220 0.757034 S\n0.500000 0.350220 0.242966 S\n0.500000 0.601491 0.841465 S\n0.500000 0.101491 0.158535 S\n0.500000 0.436645 0.982345 S\n0.500000 0.936645 0.017655 S\n0.500000 0.936542 0.492421 S\n0.500000 0.436542 0.507579 S\n0.000000 0.337988 0.842689 S\n0.000000 0.837988 0.157311 S\n0.000000 0.713857 0.970011 S\n0.000000 0.213857 0.029989 S\n0.000000 0.804506 0.360764 S\n0.000000 0.304506 0.639236 S\n0.000000 0.600639 0.676390 S\n0.000000 0.100639 0.323610 S\n",
"nsites": 40,
"nelements": 4,
"elements": [
"Tb",
"Sn",
"Pb",
"S"
],
"chemical_system": "Pb-S-Sn-Tb",
"density": 5.871807021369029,
"density_atomic": 0.04208721188309221,
"volume": 950.4074565716074,
"volume_molar": 14.308718707069517,
"formula_full": "Tb4 Sn6 Pb6 S24",
"formula_reduced": "Tb2Sn3(PbS4)3",
"formula_anonymous": "A2B3C3D12",
"energy": -209.71869002,
"energy_per_atom": -5.2429672505,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -197.64669002,
"band_gap": 0.5314000000000005,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 4e-07,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:18.367000Z",
"spacegroup": 26
},
{
"id": "mp-4991",
"created_at": "2022-09-04T14:39:19.868393Z",
"structure_string": "Tb4 Sn4 O14\n1.0\n0.000000 5.262935 5.262935\n5.262935 0.000000 5.262935\n5.262935 5.262935 0.000000\nTb Sn O\n4 4 14\ndirect\n0.625000 0.625000 0.125000 Tb\n0.625000 0.125000 0.625000 Tb\n0.125000 0.625000 0.625000 Tb\n0.625000 0.625000 0.625000 Tb\n0.125000 0.125000 0.625000 Sn\n0.125000 0.625000 0.125000 Sn\n0.625000 0.125000 0.125000 Sn\n0.125000 0.125000 0.125000 Sn\n0.750000 0.750000 0.750000 O\n0.500000 0.500000 0.500000 O\n0.036416 0.463584 0.036416 O\n0.786416 0.213584 0.786416 O\n0.036416 0.036416 0.463584 O\n0.463584 0.036416 0.036416 O\n0.036416 0.463584 0.463584 O\n0.463584 0.463584 0.036416 O\n0.463584 0.036416 0.463584 O\n0.213584 0.786416 0.786416 O\n0.786416 0.213584 0.213584 O\n0.213584 0.786416 0.213584 O\n0.786416 0.786416 0.213584 O\n0.213584 0.213584 0.786416 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Tb",
"Sn",
"O"
],
"chemical_system": "O-Sn-Tb",
"density": 7.600889174814518,
"density_atomic": 0.07545858660742419,
"volume": 291.5506503515065,
"volume_molar": 7.98072297766507,
"formula_full": "Tb4 Sn4 O14",
"formula_reduced": "Tb2Sn2O7",
"formula_anonymous": "A2B2C7",
"energy": -170.44807238,
"energy_per_atom": -7.747639653636364,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -160.83007238,
"band_gap": 2.7218,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0006419,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:32.222000Z",
"spacegroup": 227
},
{
"id": "mp-38931",
"created_at": "2022-09-04T14:40:11.274021Z",
"structure_string": "Tb4 Sm2 S8\n1.0\n-4.196161 4.196161 4.176347\n4.196161 -4.196161 4.176347\n4.196161 4.196161 -4.176347\nTb Sm S\n4 2 8\ndirect\n0.999162 0.375000 0.124162 Tb\n0.125000 0.000838 0.375838 Tb\n0.250838 0.875000 0.875838 Tb\n0.625000 0.749162 0.624162 Tb\n0.500000 0.500000 0.000000 Sm\n0.750000 0.250000 0.500000 Sm\n0.877593 0.629067 0.898179 S\n0.879067 0.627593 0.398179 S\n0.372407 0.770586 0.251474 S\n0.020586 0.122407 0.751474 S\n0.229414 0.480888 0.601821 S\n0.519112 0.120933 0.748526 S\n0.370933 0.269112 0.248526 S\n0.730888 0.979414 0.101821 S\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Tb",
"Sm",
"S"
],
"chemical_system": "S-Sm-Tb",
"density": 6.734530979248273,
"density_atomic": 0.04759564127213689,
"volume": 294.1445818526198,
"volume_molar": 12.652714826484415,
"formula_full": "Tb4 Sm2 S8",
"formula_reduced": "Tb2SmS4",
"formula_anonymous": "AB2C4",
"energy": -93.09129078,
"energy_per_atom": -6.649377912857142,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -89.06729078,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0010421,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:54.774000Z",
"spacegroup": 122
},
{
"id": "mp-17913",
"created_at": "2022-09-04T14:46:08.301874Z",
"structure_string": "Tb8 Si4 Se4 O16\n1.0\n6.088688 0.000000 0.000000\n0.000000 7.018912 0.000000\n0.000000 0.000000 10.888972\nTb Si Se O\n8 4 4 16\ndirect\n0.390456 0.750000 0.500000 Tb\n0.390456 0.750000 0.000000 Tb\n0.609544 0.250000 0.500000 Tb\n0.609544 0.250000 0.000000 Tb\n0.866655 0.970368 0.750000 Tb\n0.866655 0.529632 0.250000 Tb\n0.133345 0.470368 0.750000 Tb\n0.133345 0.029632 0.250000 Tb\n0.114620 0.250000 0.000000 Si\n0.885380 0.750000 0.000000 Si\n0.885380 0.750000 0.500000 Si\n0.114620 0.250000 0.500000 Si\n0.571254 0.628742 0.750000 Se\n0.571254 0.871258 0.250000 Se\n0.428746 0.128742 0.750000 Se\n0.428746 0.371258 0.250000 Se\n0.276939 0.069414 0.468294 O\n0.276939 0.430586 0.531706 O\n0.723061 0.569414 0.031706 O\n0.723061 0.930586 0.968294 O\n0.723061 0.930586 0.531706 O\n0.723061 0.569414 0.468294 O\n0.276939 0.430586 0.968294 O\n0.276939 0.069414 0.031706 O\n0.051200 0.760973 0.379754 O\n0.051200 0.760973 0.120246 O\n0.948800 0.260973 0.120246 O\n0.948800 0.239027 0.879754 O\n0.948800 0.239027 0.620246 O\n0.948800 0.260973 0.379754 O\n0.051200 0.739027 0.879754 O\n0.051200 0.739027 0.620246 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Tb",
"Si",
"Se",
"O"
],
"chemical_system": "O-Se-Si-Tb",
"density": 6.978196903063518,
"density_atomic": 0.06876533761036376,
"volume": 465.35072919030097,
"volume_molar": 8.75752373110198,
"formula_full": "Tb8 Si4 Se4 O16",
"formula_reduced": "Tb2SiSeO4",
"formula_anonymous": "ABC2D4",
"energy": -261.04741203000003,
"energy_per_atom": -8.157731625937501,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -248.16741203,
"band_gap": 2.5839,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001414,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:22.083000Z",
"spacegroup": 57
},
{
"id": "mp-1206324",
"created_at": "2022-09-04T14:45:26.568776Z",
"structure_string": "Tb2 Si3 Pt3\n1.0\n2.793475 0.000000 0.000000\n0.000000 2.793475 0.000000\n0.000000 0.000000 20.720544\nTb Si Pt\n2 3 3\ndirect\n0.500000 0.500000 0.751895 Tb\n0.500000 0.500000 0.248105 Tb\n0.500000 0.500000 0.386968 Si\n0.500000 0.500000 0.613032 Si\n0.500000 0.500000 0.000000 Si\n0.500000 0.500000 0.114991 Pt\n0.500000 0.500000 0.885009 Pt\n0.500000 0.500000 0.500000 Pt\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Tb",
"Si",
"Pt"
],
"chemical_system": "Pt-Si-Tb",
"density": 10.139896996398013,
"density_atomic": 0.04947653257320126,
"volume": 161.69281847235115,
"volume_molar": 12.171711409020334,
"formula_full": "Tb2 Si3 Pt3",
"formula_reduced": "Tb2(SiPt)3",
"formula_anonymous": "A2B3C3",
"energy": -40.50271862,
"energy_per_atom": -5.0628398275,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -40.71571862,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001144,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:57.476000Z",
"spacegroup": 123
}
]
}