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=structure_string&page=11545",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=structure_string&page=11543",
"results": [
{
"id": "mp-1207607",
"created_at": "2022-09-04T14:40:03.527208Z",
"structure_string": "Y1 Sc1 Si2 O7\n1.0\n4.394985 3.379974 0.000000\n-4.394985 3.379974 0.000000\n0.000000 0.975909 4.640665\nY Sc Si O\n1 1 2 7\ndirect\n0.998848 0.001152 0.000000 Y\n0.384655 0.615345 0.000000 Sc\n0.479319 0.079724 0.411823 Si\n0.920276 0.520681 0.588177 Si\n0.594474 0.898780 0.212721 O\n0.101220 0.405526 0.787279 O\n0.728941 0.271059 0.500000 O\n0.082947 0.686632 0.282330 O\n0.313368 0.917053 0.717670 O\n0.324372 0.240311 0.223215 O\n0.759689 0.675628 0.776785 O\n",
"nsites": 11,
"nelements": 4,
"elements": [
"Y",
"Sc",
"Si",
"O"
],
"chemical_system": "O-Sc-Si-Y",
"density": 3.63761005174603,
"density_atomic": 0.07978324826806735,
"volume": 137.87355414560963,
"volume_molar": 7.548126819512207,
"formula_full": "Y1 Sc1 Si2 O7",
"formula_reduced": "YScSi2O7",
"formula_anonymous": "ABC2D7",
"energy": -98.27400031,
"energy_per_atom": -8.934000028181819,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -93.46500031,
"band_gap": 4.536300000000001,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 2.6e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:03.981000Z",
"spacegroup": 5
},
{
"id": "mp-1097667",
"created_at": "2022-09-04T14:43:02.757341Z",
"structure_string": "Y1 Sc1 Tl2\n1.0\n-5.865927 6.365562 8.805298\n5.865927 -6.365562 8.805298\n5.865927 6.365562 -8.805298\nY Sc Tl\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Y\n0.000000 0.000000 0.000000 Sc\n0.000000 0.244883 0.244883 Tl\n0.000000 0.755117 0.755117 Tl\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Y",
"Sc",
"Tl"
],
"chemical_system": "Sc-Tl-Y",
"density": 0.685131808347767,
"density_atomic": 0.003041462982319704,
"volume": 1315.1565622374355,
"volume_molar": 198.00144848078847,
"formula_full": "Y1 Sc1 Tl2",
"formula_reduced": "YScTl2",
"formula_anonymous": "ABC2",
"energy": -9.81187655,
"energy_per_atom": -2.4529691375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -9.81187655,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.0001061,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:13.860000Z",
"spacegroup": 71
},
{
"id": "mp-1187869",
"created_at": "2022-09-04T14:39:34.666570Z",
"structure_string": "Y1 Sc1 Zn2\n1.0\n0.000000 3.479375 3.479375\n3.479375 0.000000 3.479375\n3.479375 3.479375 0.000000\nY Sc Zn\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Y\n0.500000 0.500000 0.500000 Sc\n0.250000 0.250000 0.250000 Zn\n0.750000 0.750000 0.750000 Zn\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Y",
"Sc",
"Zn"
],
"chemical_system": "Sc-Y-Zn",
"density": 5.2171836105645815,
"density_atomic": 0.04748170218536397,
"volume": 84.24297815576172,
"volume_molar": 12.683076812390057,
"formula_full": "Y1 Sc1 Zn2",
"formula_reduced": "YScZn2",
"formula_anonymous": "ABC2",
"energy": -16.76004777,
"energy_per_atom": -4.1900119425,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -16.76004777,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.1524823,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:38.013000Z",
"spacegroup": 225
},
{
"id": "mp-1095718",
"created_at": "2022-09-04T14:42:19.773330Z",
"structure_string": "Y1 Sc1 Zn2\n1.0\n-5.730245 5.949336 8.425973\n5.730245 -5.949336 8.425973\n5.730245 5.949336 -8.425973\nY Sc Zn\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Y\n0.000000 0.000000 0.000000 Sc\n0.000000 0.241773 0.241773 Zn\n0.000000 0.758227 0.758227 Zn\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Y",
"Sc",
"Zn"
],
"chemical_system": "Sc-Y-Zn",
"density": 0.3825146653320783,
"density_atomic": 0.003481274338141694,
"volume": 1149.0045343956438,
"volume_molar": 172.98667600022068,
"formula_full": "Y1 Sc1 Zn2",
"formula_reduced": "YScZn2",
"formula_anonymous": "ABC2",
"energy": -6.9279975,
"energy_per_atom": -1.731999375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.9279975,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.6433583,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:44.465000Z",
"spacegroup": 71
},
{
"id": "mp-1215918",
"created_at": "2022-09-04T14:44:53.017082Z",
"structure_string": "Y1 Sc3 N4\n1.0\n-2.324808 2.324808 4.617085\n2.324808 -2.324808 4.617085\n2.324808 2.324808 -4.617085\nY Sc N\n1 3 4\ndirect\n0.000000 0.000000 0.000000 Y\n0.250000 0.750000 0.500000 Sc\n0.500000 0.500000 0.000000 Sc\n0.750000 0.250000 0.500000 Sc\n0.000000 0.500000 0.500000 N\n0.258078 0.258078 0.000000 N\n0.500000 0.000000 0.500000 N\n0.741922 0.741922 0.000000 N\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Y",
"Sc",
"N"
],
"chemical_system": "N-Sc-Y",
"density": 4.654739303835883,
"density_atomic": 0.08014712402431408,
"volume": 99.8164325593649,
"volume_molar": 7.513857587919281,
"formula_full": "Y1 Sc3 N4",
"formula_reduced": "YSc3N4",
"formula_anonymous": "AB3C4",
"energy": -74.58993119,
"energy_per_atom": -9.32374139875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -73.14593119,
"band_gap": 0.0071000000000003,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 5.7e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:44.619000Z",
"spacegroup": 139
},
{
"id": "mp-2637",
"created_at": "2022-09-04T14:48:06.010356Z",
"structure_string": "Y1 Se1\n1.0\n0.000000 2.891207 2.891207\n2.891207 0.000000 2.891207\n2.891207 2.891207 0.000000\nY Se\n1 1\ndirect\n0.500000 0.500000 0.500000 Y\n0.000000 0.000000 0.000000 Se\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Y",
"Se"
],
"chemical_system": "Se-Y",
"density": 5.766919585016414,
"density_atomic": 0.041377327794272986,
"volume": 48.3356491734785,
"volume_molar": 14.55420415243326,
"formula_full": "Y1 Se1",
"formula_reduced": "YSe",
"formula_anonymous": "AB",
"energy": -13.95511056,
"energy_per_atom": -6.97755528,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -13.48311056,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0011631,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:31.642000Z",
"spacegroup": 225
},
{
"id": "mp-1100439",
"created_at": "2022-09-04T14:47:03.770400Z",
"structure_string": "Y1 Se1 Br1\n1.0\n0.000000 3.501439 3.501439\n3.501439 0.000000 3.501439\n3.501439 3.501439 0.000000\nY Se Br\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Y\n0.750000 0.750000 0.750000 Se\n0.500000 0.500000 0.500000 Br\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Y",
"Se",
"Br"
],
"chemical_system": "Br-Se-Y",
"density": 4.792121994926951,
"density_atomic": 0.03494230617952318,
"volume": 85.85580999110053,
"volume_molar": 17.23452576100739,
"formula_full": "Y1 Se1 Br1",
"formula_reduced": "YSeBr",
"formula_anonymous": "ABC",
"energy": -15.76860131,
"energy_per_atom": -5.256200436666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.76260131,
"band_gap": 1.5457999999999998,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.3e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:52.825000Z",
"spacegroup": 216
},
{
"id": "mp-962058",
"created_at": "2022-09-04T14:46:24.431259Z",
"structure_string": "Y1 Se1 Cl1\n1.0\n0.000000 3.434872 3.434872\n3.434872 0.000000 3.434872\n3.434872 3.434872 0.000000\nY Se Cl\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Y\n0.750000 0.750000 0.750000 Se\n0.500000 0.500000 0.500000 Cl\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Y",
"Se",
"Cl"
],
"chemical_system": "Cl-Se-Y",
"density": 4.165480186772046,
"density_atomic": 0.03701345157087191,
"volume": 81.05161428287003,
"volume_molar": 16.270141001222328,
"formula_full": "Y1 Se1 Cl1",
"formula_reduced": "YSeCl",
"formula_anonymous": "ABC",
"energy": -16.61545609,
"energy_per_atom": -5.538485363333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.52945609,
"band_gap": 1.8941000000000003,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0002529,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:33.278000Z",
"spacegroup": 216
},
{
"id": "mp-1215922",
"created_at": "2022-09-04T14:40:28.492548Z",
"structure_string": "Y1 Si1 B1 Rh3\n1.0\n2.749688 -4.762599 0.000000\n2.749688 4.762599 0.000000\n0.000000 0.000000 3.429768\nY Si B Rh\n1 1 1 3\ndirect\n0.333333 0.666667 0.000000 Y\n0.000000 0.000000 0.000000 Si\n0.666667 0.333333 0.000000 B\n0.346298 0.173149 0.500000 Rh\n0.826851 0.173149 0.500000 Rh\n0.826851 0.653702 0.500000 Rh\n",
"nsites": 6,
"nelements": 4,
"elements": [
"Y",
"Si",
"B",
"Rh"
],
"chemical_system": "B-Rh-Si-Y",
"density": 8.06918969771522,
"density_atomic": 0.06679271174050223,
"volume": 89.83016026225624,
"volume_molar": 9.016164493211093,
"formula_full": "Y1 Si1 B1 Rh3",
"formula_reduced": "YSiBRh3",
"formula_anonymous": "ABCD3",
"energy": -45.48359273,
"energy_per_atom": -7.580598788333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -45.48359273,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003681,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:06.992000Z",
"spacegroup": 187
},
{
"id": "mp-1072437",
"created_at": "2022-09-04T14:46:16.862704Z",
"structure_string": "Y1 Si1 Ni4\n1.0\n2.552473 -4.115592 0.000000\n2.552473 4.115592 0.000000\n0.000000 0.000000 3.943608\nY Si Ni\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Y\n0.500000 0.500000 0.500000 Si\n0.341342 0.658658 0.000000 Ni\n0.658658 0.341342 0.000000 Ni\n0.500000 0.000000 0.500000 Ni\n0.000000 0.500000 0.500000 Ni\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Y",
"Si",
"Ni"
],
"chemical_system": "Ni-Si-Y",
"density": 7.049924332064123,
"density_atomic": 0.07241591868043287,
"volume": 82.85471080575034,
"volume_molar": 8.31604551835536,
"formula_full": "Y1 Si1 Ni4",
"formula_reduced": "YSiNi4",
"formula_anonymous": "ABC4",
"energy": -38.63395239,
"energy_per_atom": -6.438992065,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -38.63395239,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0005868,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:32.627000Z",
"spacegroup": 65
},
{
"id": "mp-1187862",
"created_at": "2022-09-04T14:42:41.405767Z",
"structure_string": "Y1 Si1 O3\n1.0\n3.723507 0.000000 0.000000\n0.000000 3.723507 0.000000\n0.000000 0.000000 3.723507\nY Si O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Y\n0.500000 0.500000 0.500000 Si\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Y",
"Si",
"O"
],
"chemical_system": "O-Si-Y",
"density": 5.306999070894734,
"density_atomic": 0.09685308987497034,
"volume": 51.624579106919604,
"volume_molar": 6.2178096411525,
"formula_full": "Y1 Si1 O3",
"formula_reduced": "YSiO3",
"formula_anonymous": "ABC3",
"energy": -40.7540113,
"energy_per_atom": -8.15080226,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -38.6930113,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0010811,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:49.180000Z",
"spacegroup": 221
},
{
"id": "mp-2568",
"created_at": "2022-09-04T14:47:56.694597Z",
"structure_string": "Y1 Si2\n1.0\n2.046580 -3.544780 0.000000\n2.046580 3.544780 0.000000\n0.000000 0.000000 3.971799\nY Si\n1 2\ndirect\n0.000000 0.000000 0.000000 Y\n0.333333 0.666667 0.500000 Si\n0.666667 0.333333 0.500000 Si\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Y",
"Si"
],
"chemical_system": "Si-Y",
"density": 4.180343261820478,
"density_atomic": 0.052057820851156324,
"volume": 57.62822859177293,
"volume_molar": 11.568176810970442,
"formula_full": "Y1 Si2",
"formula_reduced": "YSi2",
"formula_anonymous": "AB2",
"energy": -18.75347491,
"energy_per_atom": -6.251158303333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -18.89547491,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0014808,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:21.788000Z",
"spacegroup": 191
}
]
}