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=10197",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=spacegroup&page=10195",
"results": [
{
"id": "mp-1187593",
"created_at": "2022-09-04T14:40:39.185551Z",
"structure_string": "Tl6 As2\n1.0\n3.465847 -6.003022 0.000000\n3.465847 6.003022 0.000000\n0.000000 0.000000 5.548837\nTl As\n6 2\ndirect\n0.173657 0.347315 0.250000 Tl\n0.652685 0.826343 0.250000 Tl\n0.173657 0.826343 0.250000 Tl\n0.826343 0.652685 0.750000 Tl\n0.347315 0.173657 0.750000 Tl\n0.826343 0.173657 0.750000 Tl\n0.333333 0.666667 0.750000 As\n0.666667 0.333333 0.250000 As\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Tl",
"As"
],
"chemical_system": "As-Tl",
"density": 9.89695004049939,
"density_atomic": 0.03464804239627528,
"volume": 230.8932755421707,
"volume_molar": 17.380897573155217,
"formula_full": "Tl6 As2",
"formula_reduced": "Tl3As",
"formula_anonymous": "AB3",
"energy": -23.05903739,
"energy_per_atom": -2.88237967375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -23.05903739,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004344,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:07.772000Z",
"spacegroup": 194
},
{
"id": "mp-1018053",
"created_at": "2022-09-04T14:40:39.234867Z",
"structure_string": "In2 Cu2\n1.0\n2.088796 -3.617901 0.000000\n2.088796 3.617901 0.000000\n0.000000 0.000000 5.083965\nIn Cu\n2 2\ndirect\n0.333333 0.666667 0.250000 In\n0.666667 0.333333 0.750000 In\n0.000000 0.000000 0.500000 Cu\n0.000000 0.000000 0.000000 Cu\n",
"nsites": 4,
"nelements": 2,
"elements": [
"In",
"Cu"
],
"chemical_system": "Cu-In",
"density": 7.709053202695373,
"density_atomic": 0.05205647275123214,
"volume": 76.83962797700931,
"volume_molar": 11.568476390589606,
"formula_full": "In2 Cu2",
"formula_reduced": "InCu",
"formula_anonymous": "AB",
"energy": -13.45931368,
"energy_per_atom": -3.36482842,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -13.45931368,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002019,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:05.293000Z",
"spacegroup": 194
},
{
"id": "mp-1191846",
"created_at": "2022-09-04T14:40:39.322537Z",
"structure_string": "Tb6 Al2 Ni16\n1.0\n2.538533 -4.396869 0.000000\n2.538533 4.396869 0.000000\n0.000000 0.000000 16.035324\nTb Al Ni\n6 2 16\ndirect\n0.333333 0.666667 0.955180 Tb\n0.666667 0.333333 0.044820 Tb\n0.666667 0.333333 0.455180 Tb\n0.333333 0.666667 0.544820 Tb\n0.333333 0.666667 0.750000 Tb\n0.666667 0.333333 0.250000 Tb\n0.000000 0.000000 0.500000 Al\n0.000000 0.000000 0.000000 Al\n0.168870 0.831130 0.374101 Ni\n0.168870 0.337741 0.374101 Ni\n0.662259 0.831130 0.374101 Ni\n0.831130 0.168870 0.625899 Ni\n0.831130 0.662259 0.625899 Ni\n0.337741 0.168870 0.625899 Ni\n0.831130 0.168870 0.874101 Ni\n0.831130 0.662259 0.874101 Ni\n0.337741 0.168870 0.874101 Ni\n0.168870 0.831130 0.125899 Ni\n0.168870 0.337741 0.125899 Ni\n0.662259 0.831130 0.125899 Ni\n0.333333 0.666667 0.250000 Ni\n0.666667 0.333333 0.750000 Ni\n0.000000 0.000000 0.250000 Ni\n0.000000 0.000000 0.750000 Ni\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Tb",
"Al",
"Ni"
],
"chemical_system": "Al-Ni-Tb",
"density": 9.030127413688895,
"density_atomic": 0.06704666290153552,
"volume": 357.95965021027683,
"volume_molar": 8.982014166527712,
"formula_full": "Tb6 Al2 Ni16",
"formula_reduced": "Tb3AlNi8",
"formula_anonymous": "AB3C8",
"energy": -138.39379567,
"energy_per_atom": -5.766408152916667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -138.39379567,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0010589,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:02.830000Z",
"spacegroup": 194
},
{
"id": "mp-865450",
"created_at": "2022-09-04T14:40:39.744098Z",
"structure_string": "Th2 Ga6\n1.0\n3.235420 -5.603912 0.000000\n3.235420 5.603912 0.000000\n0.000000 0.000000 4.621743\nTh Ga\n2 6\ndirect\n0.333333 0.666667 0.750000 Th\n0.666667 0.333333 0.250000 Th\n0.143321 0.286642 0.250000 Ga\n0.713358 0.856679 0.250000 Ga\n0.143321 0.856679 0.250000 Ga\n0.856679 0.713358 0.750000 Ga\n0.286642 0.143321 0.750000 Ga\n0.856679 0.143321 0.750000 Ga\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Th",
"Ga"
],
"chemical_system": "Ga-Th",
"density": 8.743066586676939,
"density_atomic": 0.04773448337587043,
"volume": 167.59372751573477,
"volume_molar": 12.615912719910499,
"formula_full": "Th2 Ga6",
"formula_reduced": "ThGa3",
"formula_anonymous": "AB3",
"energy": -37.21011711,
"energy_per_atom": -4.65126463875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -37.21011711,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0032657,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:02.646000Z",
"spacegroup": 194
},
{
"id": "mp-1208993",
"created_at": "2022-09-04T14:40:40.150649Z",
"structure_string": "Sm6 Zn6 Co12\n1.0\n-2.577285 -4.463989 0.000000\n-2.577285 4.463989 0.000000\n0.000000 0.000000 -16.657834\nSm Zn Co\n6 6 12\ndirect\n0.666667 0.333333 0.456342 Sm\n0.333333 0.666667 0.543658 Sm\n0.333333 0.666667 0.956342 Sm\n0.666667 0.333333 0.043658 Sm\n0.666667 0.333333 0.250000 Sm\n0.333333 0.666667 0.750000 Sm\n0.000000 0.000000 0.750000 Zn\n0.000000 0.000000 0.250000 Zn\n0.666667 0.333333 0.750000 Zn\n0.333333 0.666667 0.250000 Zn\n0.000000 0.000000 0.000000 Zn\n0.000000 0.000000 0.500000 Zn\n0.832380 0.167620 0.872616 Co\n0.167620 0.832380 0.127384 Co\n0.335239 0.167620 0.872616 Co\n0.167620 0.832380 0.372616 Co\n0.664761 0.832380 0.127384 Co\n0.832380 0.167620 0.627384 Co\n0.832380 0.664761 0.872616 Co\n0.664761 0.832380 0.372616 Co\n0.167620 0.335239 0.127384 Co\n0.335239 0.167620 0.627384 Co\n0.167620 0.335239 0.372616 Co\n0.832380 0.664761 0.627384 Co\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Sm",
"Zn",
"Co"
],
"chemical_system": "Co-Sm-Zn",
"density": 8.67238145550021,
"density_atomic": 0.06261482256721534,
"volume": 383.2958238320749,
"volume_molar": 9.61775584932049,
"formula_full": "Sm6 Zn6 Co12",
"formula_reduced": "SmZnCo2",
"formula_anonymous": "ABC2",
"energy": -125.17215602,
"energy_per_atom": -5.2155065008333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -125.17215602,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 10.9398926,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:04.010000Z",
"spacegroup": 194
},
{
"id": "mp-4613",
"created_at": "2022-09-04T14:40:57.521868Z",
"structure_string": "Zr4 Sn2 C2\n1.0\n1.687898 -2.923524 0.000000\n1.687898 2.923524 0.000000\n0.000000 0.000000 14.794633\nZr Sn C\n4 2 2\ndirect\n0.333333 0.666667 0.085242 Zr\n0.333333 0.666667 0.414758 Zr\n0.666667 0.333333 0.585242 Zr\n0.666667 0.333333 0.914758 Zr\n0.333333 0.666667 0.750000 Sn\n0.666667 0.333333 0.250000 Sn\n0.000000 0.000000 0.000000 C\n0.000000 0.000000 0.500000 C\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Zr",
"Sn",
"C"
],
"chemical_system": "C-Sn-Zr",
"density": 7.1231220959523265,
"density_atomic": 0.05479020595265776,
"volume": 146.01149714444423,
"volume_molar": 10.991272354777266,
"formula_full": "Zr4 Sn2 C2",
"formula_reduced": "Zr2SnC",
"formula_anonymous": "ABC2",
"energy": -66.93163849,
"energy_per_atom": -8.36645481125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -66.93163849,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0026939,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:08.167000Z",
"spacegroup": 194
},
{
"id": "mp-1103629",
"created_at": "2022-09-04T14:40:40.329089Z",
"structure_string": "Ce4 Ni4 P4\n1.0\n1.986958 -3.441513 0.000000\n1.986958 3.441513 0.000000\n0.000000 0.000000 15.798328\nCe Ni P\n4 4 4\ndirect\n0.000000 0.000000 0.500000 Ce\n0.000000 0.000000 0.000000 Ce\n0.000000 0.000000 0.250000 Ce\n0.000000 0.000000 0.750000 Ce\n0.333333 0.666667 0.375361 Ni\n0.666667 0.333333 0.624639 Ni\n0.666667 0.333333 0.875361 Ni\n0.333333 0.666667 0.124639 Ni\n0.333333 0.666667 0.871437 P\n0.666667 0.333333 0.128563 P\n0.666667 0.333333 0.371437 P\n0.333333 0.666667 0.628563 P\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Ce",
"Ni",
"P"
],
"chemical_system": "Ce-Ni-P",
"density": 7.06395732136195,
"density_atomic": 0.05553950727674535,
"volume": 216.06241373740914,
"volume_molar": 10.842985570600298,
"formula_full": "Ce4 Ni4 P4",
"formula_reduced": "CeNiP",
"formula_anonymous": "ABC",
"energy": -82.55087171,
"energy_per_atom": -6.879239309166667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -82.55087171,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.7270532,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:03.388000Z",
"spacegroup": 194
},
{
"id": "mp-1211040",
"created_at": "2022-09-04T14:40:40.196443Z",
"structure_string": "Lu6 Ni22 Ge8\n1.0\n-4.119248 -7.134747 0.000000\n-4.119248 7.134747 0.000000\n0.000000 0.000000 -8.487006\nLu Ni Ge\n6 22 8\ndirect\n0.804555 0.195445 0.750000 Lu\n0.195445 0.804555 0.250000 Lu\n0.390891 0.195445 0.750000 Lu\n0.609109 0.804555 0.250000 Lu\n0.804555 0.609109 0.750000 Lu\n0.195445 0.390891 0.250000 Lu\n0.841693 0.158307 0.408702 Ni\n0.158307 0.841693 0.591298 Ni\n0.316613 0.158307 0.408702 Ni\n0.158307 0.841693 0.908702 Ni\n0.683387 0.841693 0.591298 Ni\n0.841693 0.158307 0.091298 Ni\n0.841693 0.683387 0.408702 Ni\n0.683387 0.841693 0.908702 Ni\n0.158307 0.316613 0.591298 Ni\n0.316613 0.158307 0.091298 Ni\n0.158307 0.316613 0.908702 Ni\n0.841693 0.683387 0.091298 Ni\n0.435229 0.564771 0.750000 Ni\n0.564771 0.435229 0.250000 Ni\n0.129543 0.564771 0.750000 Ni\n0.870457 0.435229 0.250000 Ni\n0.435229 0.870457 0.750000 Ni\n0.564771 0.129543 0.250000 Ni\n0.666667 0.333333 0.997257 Ni\n0.333333 0.666667 0.002743 Ni\n0.333333 0.666667 0.497257 Ni\n0.666667 0.333333 0.502743 Ni\n0.500000 0.500000 0.000000 Ge\n0.000000 0.500000 0.000000 Ge\n0.500000 0.500000 0.500000 Ge\n0.500000 0.000000 0.000000 Ge\n0.000000 0.500000 0.500000 Ge\n0.500000 0.000000 0.500000 Ge\n0.000000 0.000000 0.750000 Ge\n0.000000 0.000000 0.250000 Ge\n",
"nsites": 36,
"nelements": 3,
"elements": [
"Lu",
"Ni",
"Ge"
],
"chemical_system": "Ge-Lu-Ni",
"density": 9.726902530375694,
"density_atomic": 0.07216414639287937,
"volume": 498.862687351793,
"volume_molar": 8.345059230956581,
"formula_full": "Lu6 Ni22 Ge8",
"formula_reduced": "Lu3Ni11Ge4",
"formula_anonymous": "A3B4C11",
"energy": -208.20116012,
"energy_per_atom": -5.783365558888889,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -208.20116012,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.6131706,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:05.241000Z",
"spacegroup": 194
},
{
"id": "mp-768175",
"created_at": "2022-09-04T14:40:40.830353Z",
"structure_string": "Dy4 S2 O4\n1.0\n1.899614 -3.290228 0.000000\n1.899614 3.290228 0.000000\n0.000000 0.000000 13.377746\nDy S O\n4 2 4\ndirect\n0.333333 0.666667 0.892041 Dy\n0.333333 0.666667 0.607959 Dy\n0.666667 0.333333 0.392041 Dy\n0.666667 0.333333 0.107959 Dy\n0.000000 0.000000 0.250000 S\n0.000000 0.000000 0.750000 S\n0.333333 0.666667 0.064883 O\n0.333333 0.666667 0.435117 O\n0.666667 0.333333 0.935117 O\n0.666667 0.333333 0.564883 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Dy",
"S",
"O"
],
"chemical_system": "Dy-O-S",
"density": 7.726727929568924,
"density_atomic": 0.05979924529366096,
"volume": 167.2261907469266,
"volume_molar": 10.070596594366014,
"formula_full": "Dy4 S2 O4",
"formula_reduced": "Dy2SO2",
"formula_anonymous": "AB2C2",
"energy": -82.27936114,
"energy_per_atom": -8.227936114,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -78.52536114,
"band_gap": 2.8611,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0039056,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:06.565000Z",
"spacegroup": 194
},
{
"id": "mp-569544",
"created_at": "2022-09-04T14:40:40.371047Z",
"structure_string": "Zr2 Te2\n1.0\n1.875152 -3.247859 0.000000\n1.875152 3.247859 0.000000\n0.000000 0.000000 7.936423\nZr Te\n2 2\ndirect\n0.000000 0.000000 0.000000 Zr\n0.000000 0.000000 0.500000 Zr\n0.333333 0.666667 0.250000 Te\n0.666667 0.333333 0.750000 Te\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Zr",
"Te"
],
"chemical_system": "Te-Zr",
"density": 7.517710520234709,
"density_atomic": 0.04137819522669499,
"volume": 96.66927177673072,
"volume_molar": 14.553899045154195,
"formula_full": "Zr2 Te2",
"formula_reduced": "ZrTe",
"formula_anonymous": "AB",
"energy": -27.59620417,
"energy_per_atom": -6.8990510425,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -26.75220417,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0105489,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:04.953000Z",
"spacegroup": 194
},
{
"id": "mp-13008",
"created_at": "2022-09-04T14:40:40.553572Z",
"structure_string": "Nd2 Cr2 Ge6\n1.0\n3.082641 -5.339291 0.000000\n3.082641 5.339291 0.000000\n0.000000 0.000000 5.750085\nNd Cr Ge\n2 2 6\ndirect\n0.333333 0.666667 0.750000 Nd\n0.666667 0.333333 0.250000 Nd\n0.000000 0.000000 0.500000 Cr\n0.000000 0.000000 0.000000 Cr\n0.192368 0.807632 0.250000 Ge\n0.192368 0.384735 0.250000 Ge\n0.615265 0.807632 0.250000 Ge\n0.807632 0.192368 0.750000 Ge\n0.807632 0.615265 0.750000 Ge\n0.384735 0.192368 0.750000 Ge\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Nd",
"Cr",
"Ge"
],
"chemical_system": "Cr-Ge-Nd",
"density": 7.266653480527608,
"density_atomic": 0.05283104462885547,
"volume": 189.2826475465556,
"volume_molar": 11.398867469508266,
"formula_full": "Nd2 Cr2 Ge6",
"formula_reduced": "NdCrGe3",
"formula_anonymous": "ABC3",
"energy": -60.51713016,
"energy_per_atom": -6.051713016,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -60.51713016,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.8131339,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:05.004000Z",
"spacegroup": 194
},
{
"id": "mp-976115",
"created_at": "2022-09-04T14:40:42.539403Z",
"structure_string": "K6 Rb2\n1.0\n4.799152 -8.312374 0.000000\n4.799152 8.312374 0.000000\n0.000000 0.000000 7.808540\nK Rb\n6 2\ndirect\n0.165220 0.330441 0.250000 K\n0.669559 0.834780 0.250000 K\n0.165220 0.834780 0.250000 K\n0.834780 0.669559 0.750000 K\n0.330441 0.165220 0.750000 K\n0.834780 0.165220 0.750000 K\n0.333333 0.666667 0.750000 Rb\n0.666667 0.333333 0.250000 Rb\n",
"nsites": 8,
"nelements": 2,
"elements": [
"K",
"Rb"
],
"chemical_system": "K-Rb",
"density": 1.0808806528324195,
"density_atomic": 0.012841051018490026,
"volume": 623.0019636617499,
"volume_molar": 46.89756898659328,
"formula_full": "K6 Rb2",
"formula_reduced": "K3Rb",
"formula_anonymous": "AB3",
"energy": -8.45005508,
"energy_per_atom": -1.056256885,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -8.45005508,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.1103213,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:03.322000Z",
"spacegroup": 194
}
]
}