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=spacegroup&page=10265",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=spacegroup&page=10263",
"results": [
{
"id": "mp-1017546",
"created_at": "2022-09-04T14:42:43.403882Z",
"structure_string": "Zr2 N2\n1.0\n1.608315 -2.785683 0.000000\n1.608315 2.785683 0.000000\n0.000000 0.000000 5.709400\nZr N\n2 2\ndirect\n0.000000 0.000000 0.500000 Zr\n0.000000 0.000000 0.000000 Zr\n0.333333 0.666667 0.250000 N\n0.666667 0.333333 0.750000 N\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Zr",
"N"
],
"chemical_system": "N-Zr",
"density": 6.831220122481746,
"density_atomic": 0.07818739047511064,
"volume": 51.15914440543093,
"volume_molar": 7.7021892192667885,
"formula_full": "Zr2 N2",
"formula_reduced": "ZrN",
"formula_anonymous": "AB",
"energy": -39.83623925,
"energy_per_atom": -9.9590598125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -39.11423925,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 4.7e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:54.480000Z",
"spacegroup": 194
},
{
"id": "mp-979041",
"created_at": "2022-09-04T14:42:43.454873Z",
"structure_string": "Tm2 Al6 C6\n1.0\n1.707097 -2.956779 0.000000\n1.707097 2.956779 0.000000\n0.000000 0.000000 17.212869\nTm Al C\n2 6 6\ndirect\n0.000000 0.000000 0.000000 Tm\n0.000000 0.000000 0.500000 Tm\n0.333333 0.666667 0.132537 Al\n0.666667 0.333333 0.250000 Al\n0.333333 0.666667 0.367463 Al\n0.666667 0.333333 0.632537 Al\n0.333333 0.666667 0.750000 Al\n0.666667 0.333333 0.867463 Al\n0.666667 0.333333 0.091122 C\n0.333333 0.666667 0.250000 C\n0.666667 0.333333 0.408878 C\n0.333333 0.666667 0.591122 C\n0.666667 0.333333 0.750000 C\n0.333333 0.666667 0.908878 C\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Tm",
"Al",
"C"
],
"chemical_system": "Al-C-Tm",
"density": 5.464488565839627,
"density_atomic": 0.08056895157445684,
"volume": 173.76420725869897,
"volume_molar": 7.474517965440707,
"formula_full": "Tm2 Al6 C6",
"formula_reduced": "Tm(AlC)3",
"formula_anonymous": "AB3C3",
"energy": -91.34747426,
"energy_per_atom": -6.52481959,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -91.34747426,
"band_gap": 0.0528000000000004,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0017997,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:57.826000Z",
"spacegroup": 194
},
{
"id": "mp-979899",
"created_at": "2022-09-04T14:42:43.690807Z",
"structure_string": "Sm6 Ho2\n1.0\n3.645637 -6.314428 0.000000\n3.645637 6.314428 0.000000\n0.000000 0.000000 5.788312\nSm Ho\n6 2\ndirect\n0.166760 0.333520 0.250000 Sm\n0.666480 0.833240 0.250000 Sm\n0.166760 0.833240 0.250000 Sm\n0.833240 0.666480 0.750000 Sm\n0.333520 0.166760 0.750000 Sm\n0.833240 0.166760 0.750000 Sm\n0.333333 0.666667 0.750000 Ho\n0.666667 0.333333 0.250000 Ho\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Sm",
"Ho"
],
"chemical_system": "Ho-Sm",
"density": 7.676755595595909,
"density_atomic": 0.030019304087485064,
"volume": 266.49518512106914,
"volume_molar": 20.0608939582667,
"formula_full": "Sm6 Ho2",
"formula_reduced": "Sm3Ho",
"formula_anonymous": "AB3",
"energy": -37.30099732,
"energy_per_atom": -4.662624665,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -37.30099732,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.002637,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:54.625000Z",
"spacegroup": 194
},
{
"id": "mp-1078242",
"created_at": "2022-09-04T14:42:43.838122Z",
"structure_string": "Y2 Al2 Pd4\n1.0\n2.187073 -3.788122 0.000000\n2.187073 3.788122 0.000000\n0.000000 0.000000 9.190463\nY Al Pd\n2 2 4\ndirect\n0.333333 0.666667 0.250000 Y\n0.666667 0.333333 0.750000 Y\n0.000000 0.000000 0.500000 Al\n0.000000 0.000000 0.000000 Al\n0.333333 0.666667 0.921853 Pd\n0.666667 0.333333 0.078147 Pd\n0.666667 0.333333 0.421853 Pd\n0.333333 0.666667 0.578147 Pd\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Y",
"Al",
"Pd"
],
"chemical_system": "Al-Pd-Y",
"density": 7.169029371325574,
"density_atomic": 0.052533382369486625,
"volume": 152.2841218129275,
"volume_molar": 11.463455213380447,
"formula_full": "Y2 Al2 Pd4",
"formula_reduced": "YAlPd2",
"formula_anonymous": "ABC2",
"energy": -48.68920513,
"energy_per_atom": -6.08615064125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -48.68920513,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002397,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:53.471000Z",
"spacegroup": 194
},
{
"id": "mp-1183280",
"created_at": "2022-09-04T14:42:43.885927Z",
"structure_string": "Ac6 Np2\n1.0\n3.891116 -6.739610 0.000000\n3.891116 6.739610 0.000000\n0.000000 0.000000 6.174148\nAc Np\n6 2\ndirect\n0.829183 0.170817 0.750000 Ac\n0.341634 0.170817 0.750000 Ac\n0.829183 0.658366 0.750000 Ac\n0.170817 0.829183 0.250000 Ac\n0.658366 0.829183 0.250000 Ac\n0.170817 0.341634 0.250000 Ac\n0.666667 0.333333 0.250000 Np\n0.333333 0.666667 0.750000 Np\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ac",
"Np"
],
"chemical_system": "Ac-Np",
"density": 9.414685112108275,
"density_atomic": 0.024704382995984982,
"volume": 323.8291764380507,
"volume_molar": 24.37681103381021,
"formula_full": "Ac6 Np2",
"formula_reduced": "Ac3Np",
"formula_anonymous": "AB3",
"energy": -46.92887256,
"energy_per_atom": -5.86610907,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -46.92887256,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 11.0625291,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:56.063000Z",
"spacegroup": 194
},
{
"id": "mp-1219434",
"created_at": "2022-09-04T14:42:44.003587Z",
"structure_string": "Sc4 Fe6 Ru2\n1.0\n2.467812 -4.274376 0.000000\n2.467812 4.274376 0.000000\n0.000000 0.000000 8.351495\nSc Fe Ru\n4 6 2\ndirect\n0.333333 0.666667 0.436726 Sc\n0.666667 0.333333 0.563274 Sc\n0.666667 0.333333 0.936726 Sc\n0.333333 0.666667 0.063274 Sc\n0.827875 0.172125 0.250000 Fe\n0.827875 0.655749 0.250000 Fe\n0.344251 0.172125 0.250000 Fe\n0.172125 0.827875 0.750000 Fe\n0.172125 0.344251 0.750000 Fe\n0.655749 0.827875 0.750000 Fe\n0.000000 0.000000 0.500000 Ru\n0.000000 0.000000 0.000000 Ru\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Sc",
"Fe",
"Ru"
],
"chemical_system": "Fe-Ru-Sc",
"density": 6.757866655217253,
"density_atomic": 0.06810864348573942,
"volume": 176.18909122030246,
"volume_molar": 8.841962564209513,
"formula_full": "Sc4 Fe6 Ru2",
"formula_reduced": "Sc2Fe3Ru",
"formula_anonymous": "AB2C3",
"energy": -98.49466235,
"energy_per_atom": -8.207888529166667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -98.49466235,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 9.0030325,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:55.877000Z",
"spacegroup": 194
},
{
"id": "mp-865605",
"created_at": "2022-09-04T14:42:44.022274Z",
"structure_string": "Y2 Br6\n1.0\n5.336561 -9.243194 0.000000\n5.336561 9.243194 0.000000\n0.000000 0.000000 3.752101\nY Br\n2 6\ndirect\n0.333333 0.666667 0.750000 Y\n0.666667 0.333333 0.250000 Y\n0.218320 0.436639 0.250000 Br\n0.563361 0.781680 0.250000 Br\n0.218320 0.781680 0.250000 Br\n0.781680 0.563361 0.750000 Br\n0.436639 0.218320 0.750000 Br\n0.781680 0.218320 0.750000 Br\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Y",
"Br"
],
"chemical_system": "Br-Y",
"density": 2.948371338829687,
"density_atomic": 0.021612346646803213,
"volume": 370.15878612067877,
"volume_molar": 27.864353919618274,
"formula_full": "Y2 Br6",
"formula_reduced": "YBr3",
"formula_anonymous": "AB3",
"energy": -40.79320577,
"energy_per_atom": -5.09915072125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -37.58920577,
"band_gap": 2.9454,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003322,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:53.358000Z",
"spacegroup": 194
},
{
"id": "mp-984725",
"created_at": "2022-09-04T14:42:44.100125Z",
"structure_string": "Ba2 Tl6\n1.0\n3.897468 -6.750613 0.000000\n3.897468 6.750613 0.000000\n0.000000 0.000000 5.268888\nBa Tl\n2 6\ndirect\n0.333333 0.666667 0.750000 Ba\n0.666667 0.333333 0.250000 Ba\n0.149882 0.299763 0.250000 Tl\n0.700237 0.850118 0.250000 Tl\n0.149882 0.850118 0.250000 Tl\n0.850118 0.700237 0.750000 Tl\n0.299763 0.149882 0.750000 Tl\n0.850118 0.149882 0.750000 Tl\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ba",
"Tl"
],
"chemical_system": "Ba-Tl",
"density": 8.989627367793576,
"density_atomic": 0.02885461306404486,
"volume": 277.2520283756165,
"volume_molar": 20.87063426091846,
"formula_full": "Ba2 Tl6",
"formula_reduced": "BaTl3",
"formula_anonymous": "AB3",
"energy": -20.3827449,
"energy_per_atom": -2.5478431125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -20.3827449,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0014637,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:06.757000Z",
"spacegroup": 194
},
{
"id": "mp-972220",
"created_at": "2022-09-04T14:42:44.197267Z",
"structure_string": "Ti2 Pt6\n1.0\n2.806152 -4.860398 0.000000\n2.806152 4.860398 0.000000\n0.000000 0.000000 4.521593\nTi Pt\n2 6\ndirect\n0.333333 0.666667 0.750000 Ti\n0.666667 0.333333 0.250000 Ti\n0.167396 0.334793 0.250000 Pt\n0.665207 0.832604 0.250000 Pt\n0.167396 0.832604 0.250000 Pt\n0.832604 0.665207 0.750000 Pt\n0.334793 0.167396 0.750000 Pt\n0.832604 0.167396 0.750000 Pt\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ti",
"Pt"
],
"chemical_system": "Pt-Ti",
"density": 17.0474706530304,
"density_atomic": 0.06486127752286447,
"volume": 123.34015464280506,
"volume_molar": 9.284647157739245,
"formula_full": "Ti2 Pt6",
"formula_reduced": "TiPt3",
"formula_anonymous": "AB3",
"energy": -58.92333537,
"energy_per_atom": -7.36541692125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -58.92333537,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.2e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:59.238000Z",
"spacegroup": 194
},
{
"id": "mp-1005760",
"created_at": "2022-09-04T14:42:44.242771Z",
"structure_string": "Tl6 Os2\n1.0\n3.131919 -5.424643 0.000000\n3.131919 5.424643 0.000000\n0.000000 0.000000 5.445157\nTl Os\n6 2\ndirect\n0.828106 0.171894 0.750000 Tl\n0.343788 0.171894 0.750000 Tl\n0.828106 0.656212 0.750000 Tl\n0.171894 0.828106 0.250000 Tl\n0.656212 0.828106 0.250000 Tl\n0.171894 0.343788 0.250000 Tl\n0.666667 0.333333 0.250000 Os\n0.333333 0.666667 0.750000 Os\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Tl",
"Os"
],
"chemical_system": "Os-Tl",
"density": 14.420421983770142,
"density_atomic": 0.04323822940298751,
"volume": 185.02145232263481,
"volume_molar": 13.927815368831698,
"formula_full": "Tl6 Os2",
"formula_reduced": "Tl3Os",
"formula_anonymous": "AB3",
"energy": -28.84624913,
"energy_per_atom": -3.60578114125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -28.84624913,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.9830697,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:54.866000Z",
"spacegroup": 194
},
{
"id": "mp-975601",
"created_at": "2022-09-04T14:42:44.247380Z",
"structure_string": "Pr6 Cl2\n1.0\n3.519465 -6.095893 0.000000\n3.519465 6.095893 0.000000\n0.000000 0.000000 5.687506\nPr Cl\n6 2\ndirect\n0.168470 0.336941 0.250000 Pr\n0.663059 0.831530 0.250000 Pr\n0.168470 0.831530 0.250000 Pr\n0.831530 0.663059 0.750000 Pr\n0.336941 0.168470 0.750000 Pr\n0.831530 0.168470 0.750000 Pr\n0.333333 0.666667 0.750000 Cl\n0.666667 0.333333 0.250000 Cl\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Pr",
"Cl"
],
"chemical_system": "Cl-Pr",
"density": 6.235130286054216,
"density_atomic": 0.03278114641550577,
"volume": 244.04271585254654,
"volume_molar": 18.370744828958983,
"formula_full": "Pr6 Cl2",
"formula_reduced": "Pr3Cl",
"formula_anonymous": "AB3",
"energy": -34.737808120000004,
"energy_per_atom": -4.3422260150000005,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -33.50980812,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0225823,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:48.319000Z",
"spacegroup": 194
},
{
"id": "mp-1187741",
"created_at": "2022-09-04T14:42:44.475556Z",
"structure_string": "V2 Au6\n1.0\n2.926800 -5.069366 0.000000\n2.926800 5.069366 0.000000\n0.000000 0.000000 4.699823\nV Au\n2 6\ndirect\n0.333333 0.666667 0.750000 V\n0.666667 0.333333 0.250000 V\n0.169363 0.338726 0.250000 Au\n0.661274 0.830637 0.250000 Au\n0.169363 0.830637 0.250000 Au\n0.830637 0.661274 0.750000 Au\n0.338726 0.169363 0.750000 Au\n0.830637 0.169363 0.750000 Au\n",
"nsites": 8,
"nelements": 2,
"elements": [
"V",
"Au"
],
"chemical_system": "Au-V",
"density": 15.284403594992495,
"density_atomic": 0.057362991911177524,
"volume": 139.46273953749528,
"volume_molar": 10.498303103375173,
"formula_full": "V2 Au6",
"formula_reduced": "VAu3",
"formula_anonymous": "AB3",
"energy": -37.33751095,
"energy_per_atom": -4.66718886875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -37.33751095,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.2807449,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:49.438000Z",
"spacegroup": 194
}
]
}