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=-chemical_system&page=115",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-chemical_system&page=113",
"results": [
{
"id": "mp-1187690",
"created_at": "2022-09-04T14:46:08.361672Z",
"structure_string": "Tl2 Sn6\n1.0\n3.363207 -5.825246 0.000000\n3.363207 5.825246 0.000000\n0.000000 0.000000 5.892253\nTl Sn\n2 6\ndirect\n0.333333 0.666667 0.750000 Tl\n0.666667 0.333333 0.250000 Tl\n0.160360 0.320719 0.250000 Sn\n0.679281 0.839640 0.250000 Sn\n0.160360 0.839640 0.250000 Sn\n0.839640 0.679281 0.750000 Sn\n0.320719 0.160360 0.750000 Sn\n0.839640 0.160360 0.750000 Sn\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Tl",
"Sn"
],
"chemical_system": "Sn-Tl",
"density": 8.062797728334013,
"density_atomic": 0.03465059819719914,
"volume": 230.87624503540758,
"volume_molar": 17.379615571793444,
"formula_full": "Tl2 Sn6",
"formula_reduced": "TlSn3",
"formula_anonymous": "AB3",
"energy": -28.24162352,
"energy_per_atom": -3.53020294,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -28.24162352,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0013959,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:28.652000Z",
"spacegroup": 194
},
{
"id": "mp-2556",
"created_at": "2022-09-04T14:45:11.474633Z",
"structure_string": "Tl1 Sn1\n1.0\n3.347873 0.000000 0.000000\n0.000000 3.347873 0.000000\n0.000000 0.000000 5.290804\nTl Sn\n1 1\ndirect\n0.500000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Sn\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Tl",
"Sn"
],
"chemical_system": "Sn-Tl",
"density": 9.047267403417562,
"density_atomic": 0.03372642999131752,
"volume": 59.30067310755621,
"volume_molar": 17.855850030822502,
"formula_full": "Tl1 Sn1",
"formula_reduced": "TlSn",
"formula_anonymous": "AB",
"energy": -6.27700514,
"energy_per_atom": -3.13850257,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.27700514,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0073013,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:51.200000Z",
"spacegroup": 123
},
{
"id": "mp-1187560",
"created_at": "2022-09-04T14:41:13.160249Z",
"structure_string": "Tl1 Sn1\n1.0\n1.730070 2.981763 0.000000\n-1.730070 2.981763 0.000000\n0.000000 0.759963 5.744318\nTl Sn\n1 1\ndirect\n0.332386 0.332386 0.751489 Tl\n0.667612 0.667612 0.248510 Sn\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Tl",
"Sn"
],
"chemical_system": "Sn-Tl",
"density": 9.052567736303152,
"density_atomic": 0.033746188587811414,
"volume": 59.2659522065958,
"volume_molar": 17.845395323177623,
"formula_full": "Tl1 Sn1",
"formula_reduced": "TlSn",
"formula_anonymous": "AB",
"energy": -6.26437719,
"energy_per_atom": -3.132188595,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.26437719,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0058746,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:19.341000Z",
"spacegroup": 8
},
{
"id": "mp-1187553",
"created_at": "2022-09-04T14:45:16.549540Z",
"structure_string": "Tl6 Sn2\n1.0\n3.522288 -6.100781 0.000000\n3.522288 6.100781 0.000000\n0.000000 0.000000 5.673270\nTl Sn\n6 2\ndirect\n0.170459 0.340918 0.250000 Tl\n0.659082 0.829541 0.250000 Tl\n0.170459 0.829541 0.250000 Tl\n0.829541 0.659082 0.750000 Tl\n0.340918 0.170459 0.750000 Tl\n0.829541 0.170459 0.750000 Tl\n0.333333 0.666667 0.750000 Sn\n0.666667 0.333333 0.250000 Sn\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Tl",
"Sn"
],
"chemical_system": "Sn-Tl",
"density": 9.968579989239768,
"density_atomic": 0.03281075620799391,
"volume": 243.82248154496682,
"volume_molar": 18.354166303953654,
"formula_full": "Tl6 Sn2",
"formula_reduced": "Tl3Sn",
"formula_anonymous": "AB3",
"energy": -21.94017783,
"energy_per_atom": -2.74252222875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -21.94017783,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0074763,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:56.906000Z",
"spacegroup": 194
},
{
"id": "mp-1216560",
"created_at": "2022-09-04T14:45:06.725794Z",
"structure_string": "Tl4 Sn1\n1.0\n15.073482 -1.716183 0.000000\n15.073482 1.716183 0.000000\n14.878087 0.000000 2.966088\nTl Sn\n4 1\ndirect\n0.603126 0.603126 0.603126 Tl\n0.200657 0.200657 0.200657 Tl\n0.799343 0.799343 0.799343 Tl\n0.396874 0.396874 0.396874 Tl\n0.000000 0.000000 0.000000 Sn\n",
"nsites": 5,
"nelements": 2,
"elements": [
"Tl",
"Sn"
],
"chemical_system": "Sn-Tl",
"density": 10.130865837045771,
"density_atomic": 0.03258207916086784,
"volume": 153.45859223143643,
"volume_molar": 18.482984864983056,
"formula_full": "Tl4 Sn1",
"formula_reduced": "Tl4Sn",
"formula_anonymous": "AB4",
"energy": -13.349756080000002,
"energy_per_atom": -2.6699512160000003,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -13.349756080000002,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.004314,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:49.925000Z",
"spacegroup": 166
},
{
"id": "mp-1215790",
"created_at": "2022-09-04T14:41:08.180122Z",
"structure_string": "Zr4 Ti6 Sn6\n1.0\n0.000000 0.000000 -5.706335\n-8.338365 0.002143 0.000000\n-4.171038 7.220165 0.000000\nZr Ti Sn\n4 6 6\ndirect\n0.499999 0.333320 0.333326 Zr\n0.499999 0.666674 0.666680 Zr\n0.999999 0.666680 0.666674 Zr\n0.999999 0.333326 0.333320 Zr\n0.749994 0.259607 0.740393 Ti\n0.750004 0.740497 0.999888 Ti\n0.750004 0.000112 0.259503 Ti\n0.249994 0.740393 0.259607 Ti\n0.250004 0.259503 0.000112 Ti\n0.250004 0.999888 0.740497 Ti\n0.749997 0.623660 0.376340 Sn\n0.750002 0.376466 0.999971 Sn\n0.750002 0.000029 0.623534 Sn\n0.249997 0.376340 0.623660 Sn\n0.250002 0.623534 0.000029 Sn\n0.250002 0.999971 0.376466 Sn\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Zr",
"Ti",
"Sn"
],
"chemical_system": "Sn-Ti-Zr",
"density": 6.595635324149055,
"density_atomic": 0.04657996723719747,
"volume": 343.49530386150303,
"volume_molar": 12.928606689080894,
"formula_full": "Zr4 Ti6 Sn6",
"formula_reduced": "Zr2(TiSn)3",
"formula_anonymous": "A2B3C3",
"energy": -110.8015064,
"energy_per_atom": -6.92509415,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -110.8015064,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0220941,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:19.168000Z",
"spacegroup": 193
},
{
"id": "mp-1207930",
"created_at": "2022-09-04T14:40:43.463756Z",
"structure_string": "U6 Ti2 Sn10\n1.0\n4.568367 -7.912643 0.000000\n4.568367 7.912643 0.000000\n0.000000 0.000000 6.059246\nU Ti Sn\n6 2 10\ndirect\n0.609160 0.000000 0.750000 U\n0.390840 0.000000 0.250000 U\n0.000000 0.609160 0.750000 U\n0.000000 0.390840 0.250000 U\n0.390840 0.390840 0.750000 U\n0.609160 0.609160 0.250000 U\n0.000000 0.000000 0.500000 Ti\n0.000000 0.000000 0.000000 Ti\n0.263281 0.000000 0.750000 Sn\n0.736719 0.000000 0.250000 Sn\n0.000000 0.263281 0.750000 Sn\n0.000000 0.736719 0.250000 Sn\n0.736719 0.736719 0.750000 Sn\n0.263281 0.263281 0.250000 Sn\n0.333333 0.666667 0.500000 Sn\n0.666667 0.333333 0.500000 Sn\n0.666667 0.333333 0.000000 Sn\n0.333333 0.666667 0.000000 Sn\n",
"nsites": 18,
"nelements": 3,
"elements": [
"U",
"Ti",
"Sn"
],
"chemical_system": "Sn-Ti-U",
"density": 10.27658153015562,
"density_atomic": 0.04109049443548203,
"volume": 438.05751785884644,
"volume_molar": 14.655800186234373,
"formula_full": "U6 Ti2 Sn10",
"formula_reduced": "U3TiSn5",
"formula_anonymous": "AB3C5",
"energy": -125.6991948,
"energy_per_atom": -6.9832886,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -125.6991948,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 13.8436229,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:05.322000Z",
"spacegroup": 193
},
{
"id": "mp-30875",
"created_at": "2022-09-04T14:42:10.007352Z",
"structure_string": "Ti4 Sn2\n1.0\n2.376613 -4.116415 0.000000\n2.376613 4.116415 0.000000\n0.000000 0.000000 5.641794\nTi Sn\n4 2\ndirect\n0.666667 0.333333 0.250000 Ti\n0.333333 0.666667 0.750000 Ti\n0.000000 0.000000 0.000000 Ti\n0.000000 0.000000 0.500000 Ti\n0.666667 0.333333 0.750000 Sn\n0.333333 0.666667 0.250000 Sn\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ti",
"Sn"
],
"chemical_system": "Sn-Ti",
"density": 6.451610675463359,
"density_atomic": 0.05435336166521649,
"volume": 110.38875639295938,
"volume_molar": 11.07961048866252,
"formula_full": "Ti4 Sn2",
"formula_reduced": "Ti2Sn",
"formula_anonymous": "AB2",
"energy": -41.5999094,
"energy_per_atom": -6.933318233333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -41.5999094,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 7.63e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:35.318000Z",
"spacegroup": 194
},
{
"id": "mp-20847",
"created_at": "2022-09-04T14:41:06.675293Z",
"structure_string": "Ti10 Sn6\n1.0\n4.040216 -6.997859 0.000000\n4.040216 6.997859 0.000000\n0.000000 0.000000 5.443120\nTi Sn\n10 6\ndirect\n0.242849 0.000000 0.250000 Ti\n0.242849 0.242849 0.750000 Ti\n0.000000 0.757151 0.750000 Ti\n0.000000 0.242849 0.250000 Ti\n0.757151 0.757151 0.250000 Ti\n0.757151 0.000000 0.750000 Ti\n0.333333 0.666667 0.000000 Ti\n0.666667 0.333333 0.500000 Ti\n0.666667 0.333333 0.000000 Ti\n0.333333 0.666667 0.500000 Ti\n0.608707 0.000000 0.250000 Sn\n0.608707 0.608707 0.750000 Sn\n0.000000 0.391293 0.750000 Sn\n0.000000 0.608707 0.250000 Sn\n0.391293 0.391293 0.250000 Sn\n0.391293 0.000000 0.750000 Sn\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Ti",
"Sn"
],
"chemical_system": "Sn-Ti",
"density": 6.425214880148228,
"density_atomic": 0.05198431267647411,
"volume": 307.78516010351944,
"volume_molar": 11.584534737390815,
"formula_full": "Ti10 Sn6",
"formula_reduced": "Ti5Sn3",
"formula_anonymous": "A3B5",
"energy": -108.58187547,
"energy_per_atom": -6.786367216875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -108.58187547,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.003052,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:14.272000Z",
"spacegroup": 193
},
{
"id": "mp-20382",
"created_at": "2022-09-04T14:48:26.560429Z",
"structure_string": "Ti12 Sn10\n1.0\n4.653573 -8.060225 0.000000\n4.653573 8.060225 0.000000\n0.000000 0.000000 5.722762\nTi Sn\n12 10\ndirect\n0.843407 0.686814 0.750000 Ti\n0.156593 0.843407 0.250000 Ti\n0.686814 0.843407 0.250000 Ti\n0.313186 0.156593 0.750000 Ti\n0.843407 0.156593 0.750000 Ti\n0.156593 0.313186 0.250000 Ti\n0.500000 0.000000 0.500000 Ti\n0.500000 0.500000 0.000000 Ti\n0.000000 0.500000 0.000000 Ti\n0.000000 0.500000 0.500000 Ti\n0.500000 0.000000 0.000000 Ti\n0.500000 0.500000 0.500000 Ti\n0.204436 0.408872 0.750000 Sn\n0.795564 0.204436 0.250000 Sn\n0.408872 0.204436 0.250000 Sn\n0.591128 0.795564 0.750000 Sn\n0.204436 0.795564 0.750000 Sn\n0.795564 0.591128 0.250000 Sn\n0.666667 0.333333 0.750000 Sn\n0.333333 0.666667 0.250000 Sn\n0.000000 0.000000 0.500000 Sn\n0.000000 0.000000 0.000000 Sn\n",
"nsites": 22,
"nelements": 2,
"elements": [
"Ti",
"Sn"
],
"chemical_system": "Sn-Ti",
"density": 6.813391659326951,
"density_atomic": 0.05124521318557552,
"volume": 429.30839062627905,
"volume_molar": 11.751616171820531,
"formula_full": "Ti12 Sn10",
"formula_reduced": "Ti6Sn5",
"formula_anonymous": "A5B6",
"energy": -143.03479988,
"energy_per_atom": -6.501581812727273,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -143.03479988,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.3516361,
"is_theoretical": false,
"updated_at": "2021-11-28T01:39:14.779000Z",
"spacegroup": 194
},
{
"id": "mp-637255",
"created_at": "2022-09-04T14:48:17.498253Z",
"structure_string": "Ti8 Sn12\n1.0\n2.996060 -10.050837 0.000000\n2.996060 10.050837 0.000000\n0.000000 0.000000 7.058460\nTi Sn\n8 12\ndirect\n0.080806 0.919194 0.951947 Ti\n0.586698 0.913302 0.750000 Ti\n0.913302 0.586698 0.250000 Ti\n0.413302 0.086698 0.250000 Ti\n0.580806 0.419194 0.548053 Ti\n0.086698 0.413302 0.750000 Ti\n0.919194 0.080806 0.048053 Ti\n0.419194 0.580806 0.451947 Ti\n0.224605 0.775395 0.927051 Sn\n0.877971 0.122029 0.425954 Sn\n0.724605 0.275395 0.572949 Sn\n0.275395 0.724605 0.427051 Sn\n0.770695 0.729305 0.250000 Sn\n0.122029 0.877971 0.574046 Sn\n0.377971 0.622029 0.074046 Sn\n0.729305 0.770695 0.750000 Sn\n0.775395 0.224605 0.072949 Sn\n0.270695 0.229305 0.250000 Sn\n0.229305 0.270695 0.750000 Sn\n0.622029 0.377971 0.925954 Sn\n",
"nsites": 20,
"nelements": 2,
"elements": [
"Ti",
"Sn"
],
"chemical_system": "Sn-Ti",
"density": 7.060316034195675,
"density_atomic": 0.04704758177538454,
"volume": 425.10155135038355,
"volume_molar": 12.80010689763189,
"formula_full": "Ti8 Sn12",
"formula_reduced": "Ti2Sn3",
"formula_anonymous": "A2B3",
"energy": -117.43816318,
"energy_per_atom": -5.871908159,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -117.43816318,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0011832,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:53.799000Z",
"spacegroup": 64
},
{
"id": "mp-972318",
"created_at": "2022-09-04T14:39:35.405658Z",
"structure_string": "Ti2 Sn6\n1.0\n3.143045 -5.443914 0.000000\n3.143045 5.443914 0.000000\n0.000000 0.000000 5.492631\nTi Sn\n2 6\ndirect\n0.333333 0.666667 0.750000 Ti\n0.666667 0.333333 0.250000 Ti\n0.170864 0.341728 0.250000 Sn\n0.658272 0.829136 0.250000 Sn\n0.170864 0.829136 0.250000 Sn\n0.829136 0.658272 0.750000 Sn\n0.341728 0.170864 0.750000 Sn\n0.829136 0.170864 0.750000 Sn\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ti",
"Sn"
],
"chemical_system": "Sn-Ti",
"density": 7.138138316455424,
"density_atomic": 0.04256157716111687,
"volume": 187.9629594015277,
"volume_molar": 14.149242489777066,
"formula_full": "Ti2 Sn6",
"formula_reduced": "TiSn3",
"formula_anonymous": "AB3",
"energy": -39.03083957,
"energy_per_atom": -4.87885494625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -39.03083957,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.3424992,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:44.376000Z",
"spacegroup": 194
}
]
}