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=118",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=nelements&page=116",
"results": [
{
"id": "mp-1094552",
"created_at": "2022-09-04T14:46:57.777901Z",
"structure_string": "Mg3 Sb3\n1.0\n2.869265 -4.725637 0.000000\n2.869265 4.725637 0.000000\n0.000000 0.000000 5.723453\nMg Sb\n3 3\ndirect\n0.340957 0.340957 0.000000 Mg\n0.183172 0.828291 0.500000 Mg\n0.828291 0.183172 0.500000 Mg\n0.697233 0.015364 0.000000 Sb\n0.015364 0.697233 0.000000 Sb\n0.435053 0.435053 0.500000 Sb\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mg",
"Sb"
],
"chemical_system": "Mg-Sb",
"density": 4.688105536715391,
"density_atomic": 0.038657353164128244,
"volume": 155.20979862552122,
"volume_molar": 15.578254244235723,
"formula_full": "Mg3 Sb3",
"formula_reduced": "MgSb",
"formula_anonymous": "AB",
"energy": -18.56865192,
"energy_per_atom": -3.09477532,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -17.99265192,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.008765,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:49.080000Z",
"spacegroup": 38
},
{
"id": "mp-862878",
"created_at": "2022-09-04T14:46:41.713986Z",
"structure_string": "Pm1 Ag3\n1.0\n0.000000 3.531734 3.531734\n3.531734 0.000000 3.531734\n3.531734 3.531734 0.000000\nPm Ag\n1 3\ndirect\n0.000000 0.000000 0.000000 Pm\n0.250000 0.250000 0.250000 Ag\n0.750000 0.750000 0.750000 Ag\n0.500000 0.500000 0.500000 Ag\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Pm",
"Ag"
],
"chemical_system": "Ag-Pm",
"density": 8.832053482966074,
"density_atomic": 0.04540106460128693,
"volume": 88.10366089711951,
"volume_molar": 13.26431618484404,
"formula_full": "Pm1 Ag3",
"formula_reduced": "PmAg3",
"formula_anonymous": "AB3",
"energy": -14.06139332,
"energy_per_atom": -3.51534833,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.06139332,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0030606,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:46.117000Z",
"spacegroup": 225
},
{
"id": "mp-1094989",
"created_at": "2022-09-04T14:46:54.528459Z",
"structure_string": "Ca6 Mg2\n1.0\n3.716988 -6.438012 0.000000\n3.716988 6.438012 0.000000\n0.000000 0.000000 6.015978\nCa Mg\n6 2\ndirect\n0.170022 0.829978 0.750000 Ca\n0.659956 0.829978 0.750000 Ca\n0.170022 0.340044 0.750000 Ca\n0.829978 0.170022 0.250000 Ca\n0.829978 0.659956 0.250000 Ca\n0.340044 0.170022 0.250000 Ca\n0.666667 0.333333 0.750000 Mg\n0.333333 0.666667 0.250000 Mg\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ca",
"Mg"
],
"chemical_system": "Ca-Mg",
"density": 1.6671894864834491,
"density_atomic": 0.027785026227288342,
"volume": 287.9248676808161,
"volume_molar": 21.674051018478114,
"formula_full": "Ca6 Mg2",
"formula_reduced": "Ca3Mg",
"formula_anonymous": "AB3",
"energy": -15.30093641,
"energy_per_atom": -1.91261705125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.30093641,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0273066,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:41.268000Z",
"spacegroup": 194
},
{
"id": "mp-1185118",
"created_at": "2022-09-04T14:46:57.910724Z",
"structure_string": "La3 Yb1\n1.0\n-2.645837 2.645837 5.312266\n2.645837 -2.645837 5.312266\n2.645837 2.645837 -5.312266\nLa Yb\n3 1\ndirect\n0.750000 0.250000 0.500000 La\n0.250000 0.750000 0.500000 La\n0.500000 0.500000 0.000000 La\n0.000000 0.000000 0.000000 Yb\n",
"nsites": 4,
"nelements": 2,
"elements": [
"La",
"Yb"
],
"chemical_system": "La-Yb",
"density": 6.583484113375768,
"density_atomic": 0.02689019897938793,
"volume": 148.75308297518026,
"volume_molar": 22.395300104012378,
"formula_full": "La3 Yb1",
"formula_reduced": "La3Yb",
"formula_anonymous": "AB3",
"energy": -16.11428454,
"energy_per_atom": -4.028571135,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -16.11428454,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.008873,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:44.219000Z",
"spacegroup": 139
},
{
"id": "mp-981935",
"created_at": "2022-09-04T14:46:57.888987Z",
"structure_string": "Li5 Mg1\n1.0\n5.225636 -2.636223 0.000000\n5.225636 2.636223 0.000000\n3.895718 0.000000 4.368104\nLi Mg\n5 1\ndirect\n0.167413 0.832587 0.500000 Li\n0.500000 0.167413 0.832587 Li\n0.832587 0.500000 0.167413 Li\n0.333253 0.333253 0.333253 Li\n0.666747 0.666747 0.666747 Li\n0.000000 0.000000 0.000000 Mg\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Li",
"Mg"
],
"chemical_system": "Li-Mg",
"density": 0.8141987790577803,
"density_atomic": 0.04985480077072233,
"volume": 120.34949307276247,
"volume_molar": 12.07935979464701,
"formula_full": "Li5 Mg1",
"formula_reduced": "Li5Mg",
"formula_anonymous": "AB5",
"energy": -11.28029596,
"energy_per_atom": -1.8800493266666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -11.28029596,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.001495,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:47.035000Z",
"spacegroup": 155
},
{
"id": "mp-1232267",
"created_at": "2022-09-04T14:46:58.969497Z",
"structure_string": "Pm2 S4\n1.0\n-3.940913 -3.941255 -0.000390\n-3.941856 0.000553 -3.942590\n0.004014 -3.945661 -3.946053\nPm S\n2 4\ndirect\n0.749995 0.749987 0.749980 Pm\n0.000005 0.000013 0.000020 Pm\n0.875000 0.375000 0.375000 S\n0.375000 0.875000 0.375000 S\n0.375000 0.375000 0.875000 S\n0.375000 0.375000 0.375000 S\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Pm",
"S"
],
"chemical_system": "Pm-S",
"density": 5.661576431004604,
"density_atomic": 0.04890949677634571,
"volume": 122.67556191463012,
"volume_molar": 12.312825027699963,
"formula_full": "Pm2 S4",
"formula_reduced": "PmS2",
"formula_anonymous": "AB2",
"energy": -29.159815030000004,
"energy_per_atom": -4.859969171666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -27.14781503,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.3524596,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:47.596000Z",
"spacegroup": 227
},
{
"id": "mp-1186821",
"created_at": "2022-09-04T14:46:58.966168Z",
"structure_string": "Pu6 I2\n1.0\n3.316936 -5.745102 0.000000\n3.316936 5.745102 0.000000\n0.000000 0.000000 5.668878\nPu I\n6 2\ndirect\n0.168034 0.336069 0.250000 Pu\n0.663931 0.831966 0.250000 Pu\n0.168034 0.831966 0.250000 Pu\n0.831966 0.663931 0.750000 Pu\n0.336069 0.168034 0.750000 Pu\n0.831966 0.168034 0.750000 Pu\n0.333333 0.666667 0.750000 I\n0.666667 0.333333 0.250000 I\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Pu",
"I"
],
"chemical_system": "I-Pu",
"density": 13.20267747646725,
"density_atomic": 0.03702781157939195,
"volume": 216.05381627393956,
"volume_molar": 16.263831166710535,
"formula_full": "Pu6 I2",
"formula_reduced": "Pu3I",
"formula_anonymous": "AB3",
"energy": -88.92940494999999,
"energy_per_atom": -11.116175618749999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -88.17140495,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 37.038293,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:46.273000Z",
"spacegroup": 194
},
{
"id": "mp-1210818",
"created_at": "2022-09-04T14:46:57.627204Z",
"structure_string": "Lu6 F18\n1.0\n3.343926 -5.791850 0.000000\n3.343926 5.791850 0.000000\n0.000000 0.000000 6.823228\nLu F\n6 18\ndirect\n0.346634 0.000000 0.750000 Lu\n0.653366 0.000000 0.250000 Lu\n0.000000 0.346634 0.750000 Lu\n0.000000 0.653366 0.250000 Lu\n0.653366 0.653366 0.750000 Lu\n0.346634 0.346634 0.250000 Lu\n0.000000 0.000000 0.750000 F\n0.000000 0.000000 0.250000 F\n0.333333 0.666667 0.688933 F\n0.666667 0.333333 0.311067 F\n0.666667 0.333333 0.811067 F\n0.333333 0.666667 0.188933 F\n0.375434 0.302261 0.575865 F\n0.624566 0.697739 0.424135 F\n0.697739 0.073174 0.575865 F\n0.302261 0.375434 0.924135 F\n0.302261 0.926826 0.424135 F\n0.697739 0.624566 0.075865 F\n0.926826 0.624566 0.575865 F\n0.073174 0.697739 0.924135 F\n0.073174 0.375434 0.424135 F\n0.926826 0.302261 0.075865 F\n0.624566 0.926826 0.924135 F\n0.375434 0.073174 0.075865 F\n",
"nsites": 24,
"nelements": 2,
"elements": [
"Lu",
"F"
],
"chemical_system": "F-Lu",
"density": 8.744273680073405,
"density_atomic": 0.09080659656479348,
"volume": 264.2979795292208,
"volume_molar": 6.631831813785693,
"formula_full": "Lu6 F18",
"formula_reduced": "LuF3",
"formula_anonymous": "AB3",
"energy": -167.20769844,
"energy_per_atom": -6.966987435,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -158.89169844,
"band_gap": 7.689900000000001,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 1.1e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:49.837000Z",
"spacegroup": 165
},
{
"id": "mp-1147700",
"created_at": "2022-09-04T14:46:54.514143Z",
"structure_string": "Cu2 N1\n1.0\n2.922586 0.000000 0.000000\n0.000000 2.922586 0.000000\n0.000000 0.000000 3.764885\nCu N\n2 1\ndirect\n0.500000 0.500000 0.500000 Cu\n0.000000 0.000000 0.000000 Cu\n0.500000 0.500000 0.000000 N\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Cu",
"N"
],
"chemical_system": "Cu-N",
"density": 7.285943443328541,
"density_atomic": 0.09328996723631011,
"volume": 32.15779883811929,
"volume_molar": 6.455293037830628,
"formula_full": "Cu2 N1",
"formula_reduced": "Cu2N",
"formula_anonymous": "AB2",
"energy": -15.48125486,
"energy_per_atom": -5.160418286666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.12025486,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000657,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:40.327000Z",
"spacegroup": 123
},
{
"id": "mp-2285",
"created_at": "2022-09-04T14:46:54.503440Z",
"structure_string": "Te2 Ir1\n1.0\n1.993919 -3.453569 0.000000\n1.993919 3.453569 0.000000\n0.000000 0.000000 5.543341\nTe Ir\n2 1\ndirect\n0.666667 0.333333 0.246529 Te\n0.333333 0.666667 0.753471 Te\n0.000000 0.000000 0.000000 Ir\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Te",
"Ir"
],
"chemical_system": "Ir-Te",
"density": 9.731602000803798,
"density_atomic": 0.039295608183902785,
"volume": 76.34440943018494,
"volume_molar": 15.325225994254836,
"formula_full": "Te2 Ir1",
"formula_reduced": "Te2Ir",
"formula_anonymous": "AB2",
"energy": -16.787207640000002,
"energy_per_atom": -5.59573588,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.94320764,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0026355,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:47.099000Z",
"spacegroup": 164
},
{
"id": "mp-1009539",
"created_at": "2022-09-04T14:46:54.460182Z",
"structure_string": "Os1 C1\n1.0\n0.000000 2.181057 2.181057\n2.181057 0.000000 2.181057\n2.181057 2.181057 0.000000\nOs C\n1 1\ndirect\n0.000000 0.000000 0.000000 Os\n0.500000 0.500000 0.500000 C\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Os",
"C"
],
"chemical_system": "C-Os",
"density": 16.184027760334338,
"density_atomic": 0.09638267002651976,
"volume": 20.750618336778786,
"volume_molar": 6.248157224055946,
"formula_full": "Os1 C1",
"formula_reduced": "OsC",
"formula_anonymous": "AB",
"energy": -17.67239559,
"energy_per_atom": -8.836197795,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -17.67239559,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0093252,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:45.388000Z",
"spacegroup": 225
},
{
"id": "mp-1096957",
"created_at": "2022-09-04T14:47:08.919054Z",
"structure_string": "Cr24 N48\n1.0\n5.557330 0.000000 0.000000\n0.000000 9.009159 0.000000\n0.000000 0.000000 29.151278\nCr N\n24 48\ndirect\n0.108598 0.806761 0.861346 Cr\n0.891402 0.306761 0.638654 Cr\n0.391402 0.193239 0.361346 Cr\n0.608598 0.693239 0.138654 Cr\n0.002123 0.185720 0.861425 Cr\n0.997877 0.685720 0.638575 Cr\n0.497877 0.814280 0.361425 Cr\n0.502123 0.314280 0.138575 Cr\n0.116285 0.687004 0.973118 Cr\n0.883715 0.187004 0.526882 Cr\n0.383715 0.312996 0.473118 Cr\n0.616285 0.812996 0.026882 Cr\n0.007256 0.311128 0.972123 Cr\n0.992744 0.811128 0.527877 Cr\n0.492744 0.688872 0.472123 Cr\n0.507256 0.188872 0.027877 Cr\n0.608292 0.686665 0.805851 Cr\n0.391708 0.186665 0.694149 Cr\n0.891708 0.313335 0.305851 Cr\n0.108292 0.813335 0.194149 Cr\n0.503566 0.306825 0.804601 Cr\n0.496434 0.806825 0.695399 Cr\n0.996434 0.693175 0.304601 Cr\n0.003566 0.193175 0.195399 Cr\n0.555359 0.487606 0.805331 N\n0.444641 0.987606 0.694669 N\n0.944641 0.512394 0.305331 N\n0.055359 0.012394 0.194669 N\n0.065176 0.988972 0.862164 N\n0.934824 0.488972 0.637836 N\n0.434824 0.011028 0.362164 N\n0.565176 0.511028 0.137836 N\n0.062853 0.496764 0.974044 N\n0.937147 0.996764 0.525956 N\n0.437147 0.503236 0.474044 N\n0.562853 0.003236 0.025956 N\n0.088526 0.740815 0.917376 N\n0.911474 0.240815 0.582624 N\n0.411474 0.259185 0.417376 N\n0.588526 0.759185 0.082624 N\n0.956375 0.249369 0.916156 N\n0.043625 0.749369 0.583844 N\n0.543625 0.750631 0.416156 N\n0.456375 0.250631 0.083844 N\n0.434711 0.248159 0.748804 N\n0.565289 0.748159 0.751196 N\n0.065289 0.751841 0.248804 N\n0.934711 0.251841 0.251196 N\n0.893703 0.724087 0.826447 N\n0.106297 0.224087 0.673553 N\n0.606297 0.275913 0.326447 N\n0.393703 0.775913 0.173553 N\n0.751972 0.216511 0.827294 N\n0.248028 0.716511 0.672706 N\n0.748028 0.783489 0.327294 N\n0.251972 0.283489 0.172706 N\n0.400084 0.762898 0.840236 N\n0.599916 0.262898 0.659764 N\n0.099916 0.237102 0.340236 N\n0.900084 0.737102 0.159764 N\n0.247949 0.265352 0.839135 N\n0.752051 0.765352 0.660865 N\n0.252051 0.734648 0.339135 N\n0.747949 0.234648 0.160865 N\n0.902883 0.772334 0.006758 N\n0.097117 0.272334 0.493242 N\n0.597117 0.227666 0.506758 N\n0.402883 0.727666 0.993242 N\n0.752272 0.276908 0.006049 N\n0.247728 0.776908 0.493951 N\n0.747728 0.723092 0.506049 N\n0.252272 0.223092 0.993951 N\n",
"nsites": 72,
"nelements": 2,
"elements": [
"Cr",
"N"
],
"chemical_system": "Cr-N",
"density": 2.1847103107874712,
"density_atomic": 0.04933151569225711,
"volume": 1459.5132338757808,
"volume_molar": 12.207491854837155,
"formula_full": "Cr24 N48",
"formula_reduced": "CrN2",
"formula_anonymous": "AB2",
"energy": -639.62432011,
"energy_per_atom": -8.883671112638888,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -622.29632011,
"band_gap": 0.0619,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0072168,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:52.230000Z",
"spacegroup": 19
}
]
}