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=-nelements&page=12129",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-nelements&page=12127",
"results": [
{
"id": "mp-2008",
"created_at": "2022-09-04T14:41:07.610730Z",
"structure_string": "Fe2 As4\n1.0\n2.888935 0.000000 0.000000\n0.000000 5.313721 0.000000\n0.000000 0.000000 5.993854\nFe As\n2 4\ndirect\n0.000000 0.000000 0.000000 Fe\n0.500000 0.500000 0.500000 Fe\n0.000000 0.179157 0.360740 As\n0.000000 0.820843 0.639260 As\n0.500000 0.679157 0.139260 As\n0.500000 0.320843 0.860740 As\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Fe",
"As"
],
"chemical_system": "As-Fe",
"density": 7.424133836793692,
"density_atomic": 0.06520915492726519,
"volume": 92.01162025013893,
"volume_molar": 9.235115478366717,
"formula_full": "Fe2 As4",
"formula_reduced": "FeAs2",
"formula_anonymous": "AB2",
"energy": -37.1612342,
"energy_per_atom": -6.193539033333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -37.1612342,
"band_gap": 0.2829999999999995,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0015886,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:10.090000Z",
"spacegroup": 58
},
{
"id": "mp-1105801",
"created_at": "2022-09-04T14:41:12.837096Z",
"structure_string": "Er6 Tl10\n1.0\n5.133335 3.960637 0.000000\n-5.133335 3.960637 0.000000\n0.000000 0.000000 10.602436\nEr Tl\n6 10\ndirect\n0.617138 0.617138 0.250000 Er\n0.382862 0.382862 0.750000 Er\n0.794977 0.205023 0.500000 Er\n0.794977 0.205023 0.000000 Er\n0.205023 0.794977 0.500000 Er\n0.205023 0.794977 0.000000 Er\n0.002032 0.002032 0.250000 Tl\n0.997968 0.997968 0.750000 Tl\n0.302120 0.302120 0.043217 Tl\n0.697880 0.697880 0.956783 Tl\n0.302120 0.302120 0.456783 Tl\n0.697880 0.697880 0.543217 Tl\n0.061559 0.516012 0.250000 Tl\n0.483988 0.938441 0.750000 Tl\n0.938441 0.483988 0.750000 Tl\n0.516012 0.061559 0.250000 Tl\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Er",
"Tl"
],
"chemical_system": "Er-Tl",
"density": 11.737521622715906,
"density_atomic": 0.03711245465572494,
"volume": 431.12211650844955,
"volume_molar": 16.226737939768768,
"formula_full": "Er6 Tl10",
"formula_reduced": "Er3Tl5",
"formula_anonymous": "A3B5",
"energy": -54.88970273,
"energy_per_atom": -3.430606420625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -54.88970273,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.004966,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:15.360000Z",
"spacegroup": 63
},
{
"id": "mp-999393",
"created_at": "2022-09-04T14:41:16.154094Z",
"structure_string": "Nb1 Cr3\n1.0\n3.806973 0.000000 0.000000\n0.000000 3.806973 0.000000\n0.000000 0.000000 3.806973\nNb Cr\n1 3\ndirect\n0.000000 0.000000 0.000000 Nb\n0.000000 0.500000 0.500000 Cr\n0.500000 0.500000 0.000000 Cr\n0.500000 0.000000 0.500000 Cr\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Nb",
"Cr"
],
"chemical_system": "Cr-Nb",
"density": 7.490750315434168,
"density_atomic": 0.07249709445480816,
"volume": 55.174624998156894,
"volume_molar": 8.30673395297789,
"formula_full": "Nb1 Cr3",
"formula_reduced": "NbCr3",
"formula_anonymous": "AB3",
"energy": -36.97676108,
"energy_per_atom": -9.24419027,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -36.97676108,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.4225454,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:16.694000Z",
"spacegroup": 221
},
{
"id": "mp-1078573",
"created_at": "2022-09-04T14:41:12.802448Z",
"structure_string": "Ge2 H8\n1.0\n2.000343 -5.098390 0.000000\n2.000343 5.098390 0.000000\n0.000000 0.000000 4.249228\nGe H\n2 8\ndirect\n0.257788 0.742212 0.750000 Ge\n0.742212 0.257788 0.250000 Ge\n0.483295 0.516705 0.750000 H\n0.516705 0.483295 0.250000 H\n0.441192 0.558808 0.250000 H\n0.558808 0.441192 0.750000 H\n0.962619 0.037381 0.990670 H\n0.037381 0.962619 0.009330 H\n0.962619 0.037381 0.509330 H\n0.037381 0.962619 0.490670 H\n",
"nsites": 10,
"nelements": 2,
"elements": [
"Ge",
"H"
],
"chemical_system": "Ge-H",
"density": 2.9378997418660653,
"density_atomic": 0.11537785092189902,
"volume": 86.67174782765844,
"volume_molar": 5.219494653333833,
"formula_full": "Ge2 H8",
"formula_reduced": "GeH4",
"formula_anonymous": "AB4",
"energy": -34.560584770000006,
"energy_per_atom": -3.4560584770000005,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -33.12858477,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.002285,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:18.782000Z",
"spacegroup": 63
},
{
"id": "mp-510173",
"created_at": "2022-09-04T14:41:15.739663Z",
"structure_string": "Pu2 Ga8\n1.0\n-2.157139 3.060050 6.978515\n2.157139 -3.060050 6.978515\n2.157139 3.060050 -6.978515\nPu Ga\n2 8\ndirect\n0.640566 0.390566 0.250000 Pu\n0.359434 0.609434 0.750000 Pu\n0.500000 0.000000 0.500000 Ga\n0.000000 0.000000 0.000000 Ga\n0.854156 0.604156 0.250000 Ga\n0.145844 0.395844 0.750000 Ga\n0.712402 0.198505 0.513897 Ga\n0.287597 0.801495 0.486103 Ga\n0.815392 0.801495 0.013897 Ga\n0.184608 0.198505 0.986103 Ga\n",
"nsites": 10,
"nelements": 2,
"elements": [
"Pu",
"Ga"
],
"chemical_system": "Ga-Pu",
"density": 9.424567502805393,
"density_atomic": 0.05427131427104398,
"volume": 184.2594035968541,
"volume_molar": 11.096360648139058,
"formula_full": "Pu2 Ga8",
"formula_reduced": "PuGa4",
"formula_anonymous": "AB4",
"energy": -55.94014204,
"energy_per_atom": -5.594014204,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -55.94014204,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 10.8064655,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:16.047000Z",
"spacegroup": 74
},
{
"id": "mp-1074333",
"created_at": "2022-09-04T14:41:12.797325Z",
"structure_string": "Mg8 Si6\n1.0\n5.703239 0.000000 0.000000\n1.310090 6.267953 0.000000\n1.372700 2.709446 7.598007\nMg Si\n8 6\ndirect\n0.854022 0.496856 0.165407 Mg\n0.500000 0.000000 0.000000 Mg\n0.604174 0.818799 0.676338 Mg\n0.395826 0.181201 0.323662 Mg\n0.145978 0.503144 0.834593 Mg\n0.250692 0.657583 0.407696 Mg\n0.749308 0.342417 0.592304 Mg\n0.000000 0.000000 0.000000 Mg\n0.933811 0.064134 0.356774 Si\n0.335303 0.592767 0.081023 Si\n0.066189 0.935866 0.643226 Si\n0.712759 0.791956 0.332663 Si\n0.664697 0.407233 0.918977 Si\n0.287241 0.208044 0.667337 Si\n",
"nsites": 14,
"nelements": 2,
"elements": [
"Mg",
"Si"
],
"chemical_system": "Mg-Si",
"density": 2.218975441864009,
"density_atomic": 0.051544347179686374,
"volume": 271.6107733636677,
"volume_molar": 11.683416493774756,
"formula_full": "Mg8 Si6",
"formula_reduced": "Mg4Si3",
"formula_anonymous": "A3B4",
"energy": -45.06011385,
"energy_per_atom": -3.2185795607142857,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -45.48611385,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 7.8e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:20.807000Z",
"spacegroup": 2
},
{
"id": "mp-1022724",
"created_at": "2022-09-04T14:41:12.779424Z",
"structure_string": "Ca1 C4\n1.0\n3.547946 0.000000 0.000000\n0.000000 3.547946 0.000000\n0.000000 0.000000 3.958470\nCa C\n1 4\ndirect\n0.000000 0.000000 0.500000 Ca\n0.202308 0.500000 0.000000 C\n0.500000 0.202308 0.000000 C\n0.500000 0.797692 0.000000 C\n0.797692 0.500000 0.000000 C\n",
"nsites": 5,
"nelements": 2,
"elements": [
"Ca",
"C"
],
"chemical_system": "C-Ca",
"density": 2.936609289926182,
"density_atomic": 0.10034336108597836,
"volume": 49.82890692405442,
"volume_molar": 6.001533828271888,
"formula_full": "Ca1 C4",
"formula_reduced": "CaC4",
"formula_anonymous": "AB4",
"energy": -37.28872592,
"energy_per_atom": -7.457745183999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -37.28872592,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 4e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:11.122000Z",
"spacegroup": 123
},
{
"id": "mp-560836",
"created_at": "2022-09-04T14:41:16.550266Z",
"structure_string": "Si12 O24\n1.0\n8.793326 0.000000 0.000000\n0.000000 8.793326 0.000000\n0.000000 0.000000 8.793326\nSi O\n12 24\ndirect\n0.416282 0.836315 0.355575 Si\n0.163685 0.644425 0.416282 Si\n0.355575 0.583718 0.163685 Si\n0.836315 0.355575 0.416282 Si\n0.836315 0.644425 0.583718 Si\n0.583718 0.163685 0.355575 Si\n0.355575 0.416282 0.836315 Si\n0.583718 0.836315 0.644425 Si\n0.644425 0.416282 0.163685 Si\n0.163685 0.355575 0.583718 Si\n0.644425 0.583718 0.836315 Si\n0.416282 0.163685 0.644425 Si\n0.500000 0.000000 0.335012 O\n0.500000 0.000000 0.664988 O\n0.816781 0.415713 0.238162 O\n0.248363 0.500000 0.500000 O\n0.761838 0.816781 0.584287 O\n0.584287 0.238162 0.183219 O\n0.415713 0.761838 0.183219 O\n0.238162 0.183219 0.584287 O\n0.000000 0.664988 0.500000 O\n0.751637 0.500000 0.500000 O\n0.500000 0.751637 0.500000 O\n0.000000 0.335012 0.500000 O\n0.816781 0.584287 0.761838 O\n0.415713 0.238162 0.816781 O\n0.500000 0.500000 0.248363 O\n0.183219 0.415713 0.761838 O\n0.183219 0.584287 0.238162 O\n0.664988 0.500000 0.000000 O\n0.761838 0.183219 0.415713 O\n0.335012 0.500000 0.000000 O\n0.500000 0.500000 0.751637 O\n0.584287 0.761838 0.816781 O\n0.500000 0.248363 0.500000 O\n0.238162 0.816781 0.415713 O\n",
"nsites": 36,
"nelements": 2,
"elements": [
"Si",
"O"
],
"chemical_system": "O-Si",
"density": 1.7608883755232667,
"density_atomic": 0.05294719750607135,
"volume": 679.9226719388113,
"volume_molar": 11.373861212030066,
"formula_full": "Si12 O24",
"formula_reduced": "SiO2",
"formula_anonymous": "AB2",
"energy": -293.45022823,
"energy_per_atom": -8.151395228611111,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -276.96222823,
"band_gap": 4.9428,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004106,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:19.595000Z",
"spacegroup": 195
},
{
"id": "mp-1179626",
"created_at": "2022-09-04T14:41:03.180321Z",
"structure_string": "S4 O20\n1.0\n6.677235 0.000000 0.000000\n0.000000 8.048029 0.000000\n0.000000 3.512130 9.135303\nS O\n4 20\ndirect\n0.316098 0.764604 0.477043 S\n0.816098 0.235396 0.022957 S\n0.683902 0.235396 0.522957 S\n0.183902 0.764604 0.977043 S\n0.197657 0.878291 0.529488 O\n0.697657 0.121709 0.970512 O\n0.802343 0.121709 0.470512 O\n0.302343 0.878291 0.029488 O\n0.260997 0.581010 0.514070 O\n0.760997 0.418990 0.985930 O\n0.739003 0.418990 0.485930 O\n0.239003 0.581010 0.014070 O\n0.481882 0.836843 0.380664 O\n0.981882 0.163157 0.119336 O\n0.518118 0.163157 0.619336 O\n0.018118 0.836843 0.880664 O\n0.558106 0.687997 0.714206 O\n0.058106 0.312003 0.785794 O\n0.441894 0.312003 0.285794 O\n0.941894 0.687997 0.214206 O\n0.227305 0.249212 0.815896 O\n0.727305 0.750788 0.684104 O\n0.772695 0.750788 0.184104 O\n0.272695 0.249212 0.315896 O\n",
"nsites": 24,
"nelements": 2,
"elements": [
"S",
"O"
],
"chemical_system": "O-S",
"density": 1.516206337370709,
"density_atomic": 0.048887979804068483,
"volume": 490.9182194925287,
"volume_molar": 12.318244247635764,
"formula_full": "S4 O20",
"formula_reduced": "SO5",
"formula_anonymous": "AB5",
"energy": -134.9140934,
"energy_per_atom": -5.621420558333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -131.6940934,
"band_gap": 1.8876,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 8.0015367,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:11.166000Z",
"spacegroup": 14
},
{
"id": "mp-865798",
"created_at": "2022-09-04T14:41:15.783852Z",
"structure_string": "Ga2 Cu6\n1.0\n2.610866 -4.522153 0.000000\n2.610866 4.522153 0.000000\n0.000000 0.000000 4.231465\nGa Cu\n2 6\ndirect\n0.333333 0.666667 0.750000 Ga\n0.666667 0.333333 0.250000 Ga\n0.165350 0.330700 0.250000 Cu\n0.669300 0.834650 0.250000 Cu\n0.165350 0.834650 0.250000 Cu\n0.834650 0.669300 0.750000 Cu\n0.330700 0.165350 0.750000 Cu\n0.834650 0.165350 0.750000 Cu\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ga",
"Cu"
],
"chemical_system": "Cu-Ga",
"density": 8.653751915577427,
"density_atomic": 0.08006439083539613,
"volume": 99.91957618771058,
"volume_molar": 7.521621906024215,
"formula_full": "Ga2 Cu6",
"formula_reduced": "GaCu3",
"formula_anonymous": "AB3",
"energy": -31.39546326,
"energy_per_atom": -3.9244329075,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -31.39546326,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0006073,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:15.617000Z",
"spacegroup": 194
},
{
"id": "mp-1038783",
"created_at": "2022-09-04T14:41:07.861283Z",
"structure_string": "Ca1 Zn1\n1.0\n0.000000 3.381874 3.381874\n3.381874 0.000000 3.381874\n3.381874 3.381874 0.000000\nCa Zn\n1 1\ndirect\n0.000000 0.000000 0.000000 Ca\n0.750000 0.750000 0.750000 Zn\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ca",
"Zn"
],
"chemical_system": "Ca-Zn",
"density": 2.264361564943383,
"density_atomic": 0.025853999223288834,
"volume": 77.35747118760779,
"volume_molar": 23.292879016470923,
"formula_full": "Ca1 Zn1",
"formula_reduced": "CaZn",
"formula_anonymous": "AB",
"energy": -2.50799876,
"energy_per_atom": -1.25399938,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -2.50799876,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004299,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:14.541000Z",
"spacegroup": 216
},
{
"id": "mp-755189",
"created_at": "2022-09-04T14:41:34.305530Z",
"structure_string": "Fe2 O2\n1.0\n1.524430 2.682362 0.000000\n-1.524430 2.682362 0.000000\n0.000000 0.234311 5.269449\nFe O\n2 2\ndirect\n0.000000 0.000000 0.000000 Fe\n0.000000 0.000000 0.500000 Fe\n0.335467 0.335467 0.255701 O\n0.664533 0.664533 0.744299 O\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Fe",
"O"
],
"chemical_system": "Fe-O",
"density": 5.536712070777314,
"density_atomic": 0.09281964759768235,
"volume": 43.09432435401616,
"volume_molar": 6.488002180424536,
"formula_full": "Fe2 O2",
"formula_reduced": "FeO",
"formula_anonymous": "AB",
"energy": -32.30809505,
"energy_per_atom": -8.0770237625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -26.42209505,
"band_gap": 1.0884,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 8.0000302,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:23.981000Z",
"spacegroup": 194
}
]
}