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=elements&page=1714",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=elements&page=1712",
"results": [
{
"id": "mp-1202057",
"created_at": "2022-09-04T14:39:12.774007Z",
"structure_string": "Yb72 Sn46\n1.0\n12.380982 0.000000 0.000000\n0.000000 12.380982 0.000000\n0.000000 0.000000 23.310990\nYb Sn\n72 46\ndirect\n0.000000 0.500000 0.872539 Yb\n0.500000 0.000000 0.872539 Yb\n0.000000 0.500000 0.127461 Yb\n0.500000 0.000000 0.127461 Yb\n0.000000 0.500000 0.721262 Yb\n0.500000 0.000000 0.721262 Yb\n0.000000 0.500000 0.278738 Yb\n0.500000 0.000000 0.278738 Yb\n0.000000 0.500000 0.571748 Yb\n0.500000 0.000000 0.571748 Yb\n0.000000 0.500000 0.428252 Yb\n0.500000 0.000000 0.428252 Yb\n0.333295 0.833295 0.000000 Yb\n0.666705 0.166705 0.000000 Yb\n0.166705 0.333295 0.000000 Yb\n0.833295 0.666705 0.000000 Yb\n0.715203 0.581382 0.500000 Yb\n0.284797 0.418618 0.500000 Yb\n0.784797 0.081382 0.500000 Yb\n0.215203 0.918618 0.500000 Yb\n0.581382 0.284797 0.500000 Yb\n0.418618 0.715203 0.500000 Yb\n0.081382 0.215203 0.500000 Yb\n0.918618 0.784797 0.500000 Yb\n0.787457 0.913359 0.631112 Yb\n0.212543 0.086641 0.631112 Yb\n0.712543 0.413359 0.631112 Yb\n0.287457 0.586641 0.631112 Yb\n0.913359 0.212543 0.631112 Yb\n0.086641 0.787457 0.631112 Yb\n0.413359 0.287457 0.631112 Yb\n0.586641 0.712543 0.631112 Yb\n0.212543 0.086641 0.368888 Yb\n0.787457 0.913359 0.368888 Yb\n0.287457 0.586641 0.368888 Yb\n0.712543 0.413359 0.368888 Yb\n0.086641 0.787457 0.368888 Yb\n0.913359 0.212543 0.368888 Yb\n0.586641 0.712543 0.368888 Yb\n0.413359 0.287457 0.368888 Yb\n0.712615 0.575860 0.760972 Yb\n0.287385 0.424140 0.760972 Yb\n0.787385 0.075860 0.760972 Yb\n0.212615 0.924140 0.760972 Yb\n0.575860 0.287385 0.760972 Yb\n0.424140 0.712615 0.760972 Yb\n0.075860 0.212615 0.760972 Yb\n0.924140 0.787385 0.760972 Yb\n0.287385 0.424140 0.239028 Yb\n0.712615 0.575860 0.239028 Yb\n0.212615 0.924140 0.239028 Yb\n0.787385 0.075860 0.239028 Yb\n0.424140 0.712615 0.239028 Yb\n0.575860 0.287385 0.239028 Yb\n0.924140 0.787385 0.239028 Yb\n0.075860 0.212615 0.239028 Yb\n0.291220 0.555570 0.908704 Yb\n0.708780 0.444430 0.908704 Yb\n0.208780 0.055570 0.908704 Yb\n0.791220 0.944430 0.908704 Yb\n0.555570 0.708780 0.908704 Yb\n0.444430 0.291220 0.908704 Yb\n0.055570 0.791220 0.908704 Yb\n0.944430 0.208780 0.908704 Yb\n0.708780 0.444430 0.091296 Yb\n0.291220 0.555570 0.091296 Yb\n0.791220 0.944430 0.091296 Yb\n0.208780 0.055570 0.091296 Yb\n0.444430 0.291220 0.091296 Yb\n0.555570 0.708780 0.091296 Yb\n0.944430 0.208780 0.091296 Yb\n0.055570 0.791220 0.091296 Yb\n0.500000 0.500000 0.833185 Sn\n0.000000 0.000000 0.833185 Sn\n0.500000 0.500000 0.166815 Sn\n0.000000 0.000000 0.166815 Sn\n0.500000 0.500000 0.698128 Sn\n0.000000 0.000000 0.698128 Sn\n0.500000 0.500000 0.301872 Sn\n0.000000 0.000000 0.301872 Sn\n0.500000 0.500000 0.566468 Sn\n0.000000 0.000000 0.566468 Sn\n0.500000 0.500000 0.433532 Sn\n0.000000 0.000000 0.433532 Sn\n0.088466 0.588466 0.000000 Sn\n0.911534 0.411534 0.000000 Sn\n0.411534 0.088466 0.000000 Sn\n0.588466 0.911534 0.000000 Sn\n0.163108 0.663108 0.785583 Sn\n0.836892 0.336892 0.785583 Sn\n0.336892 0.163108 0.785583 Sn\n0.663108 0.836892 0.785583 Sn\n0.836892 0.336892 0.214417 Sn\n0.163108 0.663108 0.214417 Sn\n0.663108 0.836892 0.214417 Sn\n0.336892 0.163108 0.214417 Sn\n0.304785 0.804785 0.869094 Sn\n0.695215 0.195215 0.869094 Sn\n0.195215 0.304785 0.869094 Sn\n0.804785 0.695215 0.869094 Sn\n0.695215 0.195215 0.130906 Sn\n0.304785 0.804785 0.130906 Sn\n0.804785 0.695215 0.130906 Sn\n0.195215 0.304785 0.130906 Sn\n0.500000 0.500000 0.000000 Sn\n0.000000 0.000000 0.000000 Sn\n0.157155 0.657155 0.500000 Sn\n0.842845 0.342845 0.500000 Sn\n0.342845 0.157155 0.500000 Sn\n0.657155 0.842845 0.500000 Sn\n0.347774 0.847774 0.640805 Sn\n0.652226 0.152226 0.640805 Sn\n0.152226 0.347774 0.640805 Sn\n0.847774 0.652226 0.640805 Sn\n0.652226 0.152226 0.359195 Sn\n0.347774 0.847774 0.359195 Sn\n0.847774 0.652226 0.359195 Sn\n0.152226 0.347774 0.359195 Sn\n",
"nsites": 118,
"nelements": 2,
"elements": [
"Yb",
"Sn"
],
"chemical_system": "Sn-Yb",
"density": 8.327316127970342,
"density_atomic": 0.033022587897749145,
"volume": 3573.311709105724,
"volume_molar": 18.236428891178683,
"formula_full": "Yb72 Sn46",
"formula_reduced": "Yb36Sn23",
"formula_anonymous": "A23B36",
"energy": -371.45639059,
"energy_per_atom": -3.1479355134745766,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -371.45639059,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 2.93111,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:43.500000Z",
"spacegroup": 127
},
{
"id": "mp-1187972",
"created_at": "2022-09-04T14:48:09.799194Z",
"structure_string": "Yb6 Sn2\n1.0\n3.518960 -6.095017 0.000000\n3.518960 6.095017 0.000000\n0.000000 0.000000 5.598625\nYb Sn\n6 2\ndirect\n0.173066 0.346132 0.250000 Yb\n0.653868 0.826934 0.250000 Yb\n0.173066 0.826934 0.250000 Yb\n0.826934 0.653868 0.750000 Yb\n0.346132 0.173066 0.750000 Yb\n0.826934 0.173066 0.750000 Yb\n0.333333 0.666667 0.750000 Sn\n0.666667 0.333333 0.250000 Sn\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Yb",
"Sn"
],
"chemical_system": "Sn-Yb",
"density": 8.820301061015934,
"density_atomic": 0.033311129644809076,
"volume": 240.15997311717263,
"volume_molar": 18.078464537867866,
"formula_full": "Yb6 Sn2",
"formula_reduced": "Yb3Sn",
"formula_anonymous": "AB3",
"energy": -20.98626402,
"energy_per_atom": -2.6232830025,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -20.98626402,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004328,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:31.745000Z",
"spacegroup": 194
},
{
"id": "mp-979953",
"created_at": "2022-09-04T14:39:17.074340Z",
"structure_string": "Yb3 Ta1\n1.0\n-2.466139 2.466139 4.832337\n2.466139 -2.466139 4.832337\n2.466139 2.466139 -4.832337\nYb Ta\n3 1\ndirect\n0.750000 0.250000 0.500000 Yb\n0.250000 0.750000 0.500000 Yb\n0.500000 0.500000 0.000000 Yb\n0.000000 0.000000 0.000000 Ta\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Yb",
"Ta"
],
"chemical_system": "Ta-Yb",
"density": 9.888648549941793,
"density_atomic": 0.03402574819715989,
"volume": 117.55803213561305,
"volume_molar": 17.69877542473163,
"formula_full": "Yb3 Ta1",
"formula_reduced": "Yb3Ta",
"formula_anonymous": "AB3",
"energy": -13.84765765,
"energy_per_atom": -3.4619144125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -13.84765765,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.9197779,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:34.076000Z",
"spacegroup": 139
},
{
"id": "mp-981458",
"created_at": "2022-09-04T14:47:06.146116Z",
"structure_string": "Yb1 Ta1\n1.0\n1.550715 -2.685917 0.000000\n1.550715 2.685917 0.000000\n0.000000 0.000000 5.399026\nYb Ta\n1 1\ndirect\n0.000000 0.000000 0.000000 Yb\n0.333333 0.666667 0.500000 Ta\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Yb",
"Ta"
],
"chemical_system": "Ta-Yb",
"density": 13.069756601648919,
"density_atomic": 0.04446927051924422,
"volume": 44.97487763228528,
"volume_molar": 13.542252188269874,
"formula_full": "Yb1 Ta1",
"formula_reduced": "YbTa",
"formula_anonymous": "AB",
"energy": -12.01963121,
"energy_per_atom": -6.009815605,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -12.01963121,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.2395319,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:58.404000Z",
"spacegroup": 187
},
{
"id": "mp-979938",
"created_at": "2022-09-04T14:39:37.205186Z",
"structure_string": "Yb3 Tc1\n1.0\n-2.415111 2.415111 4.232235\n2.415111 -2.415111 4.232235\n2.415111 2.415111 -4.232235\nYb Tc\n3 1\ndirect\n0.750000 0.250000 0.500000 Yb\n0.250000 0.750000 0.500000 Yb\n0.500000 0.500000 0.000000 Yb\n0.000000 0.000000 0.000000 Tc\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Yb",
"Tc"
],
"chemical_system": "Tc-Yb",
"density": 10.37802616385364,
"density_atomic": 0.04050942078771545,
"volume": 98.74246341268366,
"volume_molar": 14.866025341508275,
"formula_full": "Yb3 Tc1",
"formula_reduced": "Yb3Tc",
"formula_anonymous": "AB3",
"energy": -13.33713098,
"energy_per_atom": -3.334282745,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -13.33713098,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.8474662,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:42.226000Z",
"spacegroup": 139
},
{
"id": "mp-979954",
"created_at": "2022-09-04T14:42:42.490528Z",
"structure_string": "Yb3 Tc1\n1.0\n0.000000 3.659765 3.659765\n3.659765 0.000000 3.659765\n3.659765 3.659765 0.000000\nYb Tc\n3 1\ndirect\n0.750000 0.750000 0.750000 Yb\n0.250000 0.250000 0.250000 Yb\n0.000000 0.000000 0.000000 Yb\n0.500000 0.500000 0.500000 Tc\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Yb",
"Tc"
],
"chemical_system": "Tc-Yb",
"density": 10.452715377177483,
"density_atomic": 0.04080096146443653,
"volume": 98.03690541671506,
"volume_molar": 14.759801102356612,
"formula_full": "Yb3 Tc1",
"formula_reduced": "Yb3Tc",
"formula_anonymous": "AB3",
"energy": -13.31696783,
"energy_per_atom": -3.3292419575,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -13.31696783,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.8654259,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:53.087000Z",
"spacegroup": 225
},
{
"id": "mp-1779",
"created_at": "2022-09-04T14:43:57.333554Z",
"structure_string": "Yb1 Te1\n1.0\n0.000000 3.180275 3.180275\n3.180275 0.000000 3.180275\n3.180275 3.180275 0.000000\nYb Te\n1 1\ndirect\n0.500000 0.500000 0.500000 Yb\n0.000000 0.000000 0.000000 Te\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Yb",
"Te"
],
"chemical_system": "Te-Yb",
"density": 7.760180781831621,
"density_atomic": 0.031088944257175868,
"volume": 64.33155090296658,
"volume_molar": 19.37068274233849,
"formula_full": "Yb1 Te1",
"formula_reduced": "YbTe",
"formula_anonymous": "AB",
"energy": -8.43605007,
"energy_per_atom": -4.218025035,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -8.01405007,
"band_gap": 1.4678,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0007895,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:40.980000Z",
"spacegroup": 225
},
{
"id": "mp-1206896",
"created_at": "2022-09-04T14:47:26.869649Z",
"structure_string": "Yb2 Te3\n1.0\n11.081441 0.000000 0.000000\n0.000000 11.081441 0.000000\n0.000000 0.000000 34.794682\nYb Te\n2 3\ndirect\n0.500000 0.500000 0.282546 Yb\n0.500000 0.500000 0.717454 Yb\n0.500000 0.500000 0.640275 Te\n0.500000 0.500000 0.359725 Te\n0.500000 0.500000 0.000000 Te\n",
"nsites": 5,
"nelements": 2,
"elements": [
"Yb",
"Te"
],
"chemical_system": "Te-Yb",
"density": 0.2832694780748558,
"density_atomic": 0.0011702122918505339,
"volume": 4272.729003805942,
"volume_molar": 514.6195098050792,
"formula_full": "Yb2 Te3",
"formula_reduced": "Yb2Te3",
"formula_anonymous": "A2B3",
"energy": -8.77818708,
"energy_per_atom": -1.7556374160000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -7.51218708,
"band_gap": 0.0943000000000005,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 2.0000457,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:10.628000Z",
"spacegroup": 123
},
{
"id": "mp-1189945",
"created_at": "2022-09-04T14:46:06.665736Z",
"structure_string": "Yb8 Te12\n1.0\n0.000000 6.245738 13.058695\n4.474316 0.000000 13.058695\n4.474316 6.245738 0.000000\nYb Te\n8 12\ndirect\n0.333738 0.333738 0.166262 Yb\n0.166262 0.166262 0.333738 Yb\n0.916262 0.916262 0.083738 Yb\n0.083738 0.083738 0.916262 Yb\n0.998170 0.998170 0.501830 Yb\n0.501830 0.501830 0.998170 Yb\n0.251830 0.251830 0.748170 Yb\n0.748170 0.748170 0.251830 Yb\n0.991252 0.508748 0.508748 Te\n0.508748 0.991252 0.991252 Te\n0.258748 0.741252 0.741252 Te\n0.741252 0.258748 0.258748 Te\n0.664573 0.167362 0.831028 Te\n0.831028 0.337037 0.664573 Te\n0.337037 0.831028 0.167362 Te\n0.167362 0.664573 0.337037 Te\n0.585427 0.082638 0.418972 Te\n0.418972 0.912963 0.585427 Te\n0.912963 0.418972 0.082638 Te\n0.082638 0.585427 0.912963 Te\n",
"nsites": 20,
"nelements": 2,
"elements": [
"Yb",
"Te"
],
"chemical_system": "Te-Yb",
"density": 6.633228116423365,
"density_atomic": 0.027402476007090153,
"volume": 729.8610532429688,
"volume_molar": 21.97662998935506,
"formula_full": "Yb8 Te12",
"formula_reduced": "Yb2Te3",
"formula_anonymous": "A2B3",
"energy": -74.01667648,
"energy_per_atom": -3.700833824,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -68.95267648,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0123415,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:21.221000Z",
"spacegroup": 70
},
{
"id": "mp-1077459",
"created_at": "2022-09-04T14:43:07.171170Z",
"structure_string": "Yb2 Te4\n1.0\n4.381886 0.000000 0.000000\n0.000000 4.381886 0.000000\n0.000000 0.000000 9.481903\nYb Te\n2 4\ndirect\n0.000000 0.500000 0.712603 Yb\n0.500000 0.000000 0.287397 Yb\n0.000000 0.000000 0.000000 Te\n0.500000 0.500000 0.000000 Te\n0.000000 0.500000 0.367854 Te\n0.500000 0.000000 0.632146 Te\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Yb",
"Te"
],
"chemical_system": "Te-Yb",
"density": 7.811755933860036,
"density_atomic": 0.03295593160334925,
"volume": 182.06130757323913,
"volume_molar": 18.273313685928333,
"formula_full": "Yb2 Te4",
"formula_reduced": "YbTe2",
"formula_anonymous": "AB2",
"energy": -23.2830569,
"energy_per_atom": -3.880509483333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -21.5950569,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 2.09e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:07.712000Z",
"spacegroup": 129
},
{
"id": "mp-972044",
"created_at": "2022-09-04T14:46:29.740883Z",
"structure_string": "Yb1 Th3\n1.0\n5.056826 0.000000 0.000000\n0.000000 5.056826 0.000000\n0.000000 0.000000 5.056826\nYb Th\n1 3\ndirect\n0.000000 0.000000 0.000000 Yb\n0.000000 0.500000 0.500000 Th\n0.500000 0.000000 0.500000 Th\n0.500000 0.500000 0.000000 Th\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Yb",
"Th"
],
"chemical_system": "Th-Yb",
"density": 11.161225683102824,
"density_atomic": 0.03093327912937161,
"volume": 129.31057141633394,
"volume_molar": 19.46816157062989,
"formula_full": "Yb1 Th3",
"formula_reduced": "YbTh3",
"formula_anonymous": "AB3",
"energy": -23.19671039,
"energy_per_atom": -5.7991775975,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -23.19671039,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0028538,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:43.338000Z",
"spacegroup": 221
},
{
"id": "mp-979963",
"created_at": "2022-09-04T14:40:12.064454Z",
"structure_string": "Yb3 Ti1\n1.0\n5.062260 0.000000 0.000000\n0.000000 5.062260 0.000000\n0.000000 0.000000 5.062260\nYb Ti\n3 1\ndirect\n0.000000 0.500000 0.500000 Yb\n0.500000 0.000000 0.500000 Yb\n0.500000 0.500000 0.000000 Yb\n0.000000 0.000000 0.000000 Ti\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Yb",
"Ti"
],
"chemical_system": "Ti-Yb",
"density": 7.257530305366131,
"density_atomic": 0.030833771556656106,
"volume": 129.72788595291118,
"volume_molar": 19.530989742641445,
"formula_full": "Yb3 Ti1",
"formula_reduced": "Yb3Ti",
"formula_anonymous": "AB3",
"energy": -10.90740853,
"energy_per_atom": -2.7268521325,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -10.90740853,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.6250448,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:45.769000Z",
"spacegroup": 221
}
]
}