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=87",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-chemical_system&page=85",
"results": [
{
"id": "mp-9132",
"created_at": "2022-09-04T14:43:14.871597Z",
"structure_string": "Ta6 Sn2 S12\n1.0\n2.904718 -5.031120 0.000000\n2.904718 5.031120 0.000000\n0.000000 0.000000 14.715125\nTa Sn S\n6 2 12\ndirect\n0.333333 0.666667 0.250000 Ta\n0.666667 0.333333 0.750000 Ta\n0.666667 0.333333 0.250000 Ta\n0.333333 0.666667 0.750000 Ta\n0.000000 0.000000 0.250000 Ta\n0.000000 0.000000 0.750000 Ta\n0.000000 0.000000 0.500000 Sn\n0.000000 0.000000 0.000000 Sn\n0.335376 0.000000 0.143883 S\n0.000000 0.335376 0.143883 S\n0.664624 0.664624 0.143883 S\n0.335376 0.335376 0.643883 S\n0.664624 0.664624 0.356117 S\n0.664624 0.000000 0.643883 S\n0.000000 0.664624 0.643883 S\n0.000000 0.664624 0.856117 S\n0.335376 0.335376 0.856117 S\n0.000000 0.335376 0.356117 S\n0.335376 0.000000 0.356117 S\n0.664624 0.000000 0.856117 S\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Ta",
"Sn",
"S"
],
"chemical_system": "S-Sn-Ta",
"density": 6.593950735797763,
"density_atomic": 0.046501546061286335,
"volume": 430.09322687123483,
"volume_molar": 12.950409760705954,
"formula_full": "Ta6 Sn2 S12",
"formula_reduced": "Ta3SnS6",
"formula_anonymous": "AB3C6",
"energy": -155.19135781,
"energy_per_atom": -7.7595678905,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -149.15535781,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0008757,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:08.415000Z",
"spacegroup": 193
},
{
"id": "mp-30294",
"created_at": "2022-09-04T14:39:17.967232Z",
"structure_string": "Sr4 Sn2 S8\n1.0\n3.661384 -5.261438 0.000000\n3.661384 5.261438 0.000000\n0.000000 0.000000 10.115999\nSr Sn S\n4 2 8\ndirect\n0.791014 0.791014 0.500000 Sr\n0.791014 0.791014 0.000000 Sr\n0.143942 0.521753 0.750000 Sr\n0.521753 0.143942 0.250000 Sr\n0.543644 0.097039 0.750000 Sn\n0.097039 0.543644 0.250000 Sn\n0.354926 0.897619 0.556534 S\n0.897619 0.354926 0.443466 S\n0.354926 0.897619 0.943466 S\n0.897619 0.354926 0.056534 S\n0.617998 0.493559 0.750000 S\n0.493559 0.617998 0.250000 S\n0.048124 0.905563 0.250000 S\n0.905563 0.048124 0.750000 S\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Sr",
"Sn",
"S"
],
"chemical_system": "S-Sn-Sr",
"density": 3.597651558655814,
"density_atomic": 0.03592026448781911,
"volume": 389.75214129471476,
"volume_molar": 16.76530183134415,
"formula_full": "Sr4 Sn2 S8",
"formula_reduced": "Sr2SnS4",
"formula_anonymous": "AB2C4",
"energy": -71.39143576000001,
"energy_per_atom": -5.099388268571429,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -67.36743576,
"band_gap": 2.4784000000000006,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001453,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:37.233000Z",
"spacegroup": 40
},
{
"id": "mp-1208730",
"created_at": "2022-09-04T14:43:00.390581Z",
"structure_string": "Sr6 Sn4 S14\n1.0\n4.028932 0.000000 0.000000\n0.000000 11.627088 0.000000\n0.000000 0.000000 12.915874\nSr Sn S\n6 4 14\ndirect\n0.500000 0.111724 0.146624 Sr\n0.500000 0.888276 0.853376 Sr\n0.500000 0.388276 0.646624 Sr\n0.500000 0.611724 0.353376 Sr\n0.500000 0.000000 0.500000 Sr\n0.500000 0.500000 0.000000 Sr\n0.000000 0.277828 0.391521 Sn\n0.000000 0.722172 0.608479 Sn\n0.000000 0.222172 0.891521 Sn\n0.000000 0.777828 0.108479 Sn\n0.500000 0.348807 0.295367 S\n0.500000 0.651193 0.704633 S\n0.500000 0.151193 0.795367 S\n0.500000 0.848807 0.204633 S\n0.000000 0.078835 0.320728 S\n0.000000 0.921165 0.679272 S\n0.000000 0.421165 0.820728 S\n0.000000 0.578835 0.179272 S\n0.000000 0.297021 0.065584 S\n0.000000 0.702979 0.934416 S\n0.000000 0.202979 0.565584 S\n0.000000 0.797021 0.434416 S\n0.000000 0.000000 0.000000 S\n0.000000 0.500000 0.500000 S\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Sr",
"Sn",
"S"
],
"chemical_system": "S-Sn-Sr",
"density": 3.9780810935799167,
"density_atomic": 0.03966674325127702,
"volume": 605.0408486516561,
"volume_molar": 15.181838150542207,
"formula_full": "Sr6 Sn4 S14",
"formula_reduced": "Sr3Sn2S7",
"formula_anonymous": "A2B3C7",
"energy": -121.19325425,
"energy_per_atom": -5.049718927083333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -114.15125425,
"band_gap": 0.4020000000000001,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0050768,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:09.339000Z",
"spacegroup": 55
},
{
"id": "mp-1218773",
"created_at": "2022-09-04T14:42:51.777615Z",
"structure_string": "Sr8 Sn4 S20\n1.0\n0.000000 0.000000 4.107405\n11.870121 0.000000 0.000000\n0.000000 15.894181 0.000000\nSr Sn S\n8 4 20\ndirect\n0.974437 0.747459 0.428306 Sr\n0.974437 0.252541 0.571694 Sr\n0.025563 0.247459 0.071694 Sr\n0.025563 0.752541 0.928306 Sr\n0.007587 0.876444 0.178630 Sr\n0.007587 0.123556 0.821370 Sr\n0.992413 0.376444 0.321370 Sr\n0.992413 0.623556 0.678630 Sr\n0.535638 0.063242 0.370144 Sn\n0.535638 0.936758 0.629856 Sn\n0.464362 0.563242 0.129856 Sn\n0.464362 0.436758 0.870144 Sn\n0.490840 0.549536 0.396133 S\n0.490840 0.450464 0.603867 S\n0.509160 0.049536 0.103867 S\n0.509160 0.950464 0.896133 S\n0.114868 0.500000 0.000000 S\n0.885132 0.000000 0.500000 S\n0.478976 0.865082 0.321999 S\n0.478976 0.134918 0.678001 S\n0.521024 0.365082 0.178001 S\n0.521024 0.634918 0.821999 S\n0.004449 0.612644 0.225661 S\n0.004449 0.387356 0.774339 S\n0.995551 0.112644 0.274339 S\n0.995551 0.887356 0.725661 S\n0.467074 0.251397 0.432290 S\n0.467074 0.748603 0.567710 S\n0.532926 0.751397 0.067710 S\n0.532926 0.248603 0.932290 S\n0.768193 0.500000 0.500000 S\n0.231807 0.000000 0.000000 S\n",
"nsites": 32,
"nelements": 3,
"elements": [
"Sr",
"Sn",
"S"
],
"chemical_system": "S-Sn-Sr",
"density": 3.893741339131098,
"density_atomic": 0.041294208900567675,
"volume": 774.92706246178,
"volume_molar": 14.583499527744223,
"formula_full": "Sr8 Sn4 S20",
"formula_reduced": "Sr2SnS5",
"formula_anonymous": "AB2C5",
"energy": -161.51309251,
"energy_per_atom": -5.0472841409375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -151.45309251,
"band_gap": 1.0054999999999996,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0025937,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:03.351000Z",
"spacegroup": 18
},
{
"id": "mp-1205419",
"created_at": "2022-09-04T14:42:45.393014Z",
"structure_string": "Sr4 Sn4 S12\n1.0\n3.906286 0.000000 0.000000\n0.000000 8.408667 0.000000\n0.000000 0.000000 14.239086\nSr Sn S\n4 4 12\ndirect\n0.250000 0.932301 0.175308 Sr\n0.750000 0.067699 0.824692 Sr\n0.750000 0.567699 0.675308 Sr\n0.250000 0.432301 0.324692 Sr\n0.250000 0.668977 0.942495 Sn\n0.750000 0.331023 0.057505 Sn\n0.750000 0.831023 0.442495 Sn\n0.250000 0.168977 0.557505 Sn\n0.250000 0.529275 0.105268 S\n0.750000 0.470725 0.894732 S\n0.750000 0.970725 0.605268 S\n0.250000 0.029275 0.394732 S\n0.250000 0.653611 0.505336 S\n0.750000 0.346389 0.494664 S\n0.750000 0.846389 0.005336 S\n0.250000 0.153611 0.994664 S\n0.250000 0.789985 0.784813 S\n0.750000 0.210015 0.215187 S\n0.750000 0.710015 0.284813 S\n0.250000 0.289985 0.715187 S\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Sr",
"Sn",
"S"
],
"chemical_system": "S-Sn-Sr",
"density": 4.296324285213649,
"density_atomic": 0.04276187026709225,
"volume": 467.70639064847364,
"volume_molar": 14.08296859418328,
"formula_full": "Sr4 Sn4 S12",
"formula_reduced": "SrSnS3",
"formula_anonymous": "ABC3",
"energy": -100.01406783,
"energy_per_atom": -5.0007033915,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -93.97806783,
"band_gap": 0.8335999999999997,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0039153,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:57.115000Z",
"spacegroup": 62
},
{
"id": "mp-8781",
"created_at": "2022-09-04T14:40:25.476540Z",
"structure_string": "Sn2 S2\n1.0\n2.925647 -2.961543 0.000000\n2.925647 2.961543 0.000000\n0.000000 0.000000 11.236193\nSn S\n2 2\ndirect\n0.242643 0.257357 0.874415 Sn\n0.742643 0.757357 0.125585 Sn\n0.781357 0.718643 0.896652 S\n0.281357 0.218643 0.103348 S\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Sn",
"S"
],
"chemical_system": "S-Sn",
"density": 2.5716939152366627,
"density_atomic": 0.02054332980207953,
"volume": 194.7104017964553,
"volume_molar": 29.314336176360268,
"formula_full": "Sn2 S2",
"formula_reduced": "SnS",
"formula_anonymous": "AB",
"energy": -18.86519369,
"energy_per_atom": -4.7162984225,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -17.85919369,
"band_gap": 1.8195,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0018925,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:46.660000Z",
"spacegroup": 39
},
{
"id": "mp-1876",
"created_at": "2022-09-04T14:44:21.779729Z",
"structure_string": "Sn1 S1\n1.0\n0.000000 2.925991 2.925991\n2.925991 0.000000 2.925991\n2.925991 2.925991 0.000000\nSn S\n1 1\ndirect\n0.500000 0.500000 0.500000 Sn\n0.000000 0.000000 0.000000 S\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Sn",
"S"
],
"chemical_system": "S-Sn",
"density": 4.997231640393164,
"density_atomic": 0.03991912765269202,
"volume": 50.10129523371803,
"volume_molar": 15.08585260778835,
"formula_full": "Sn1 S1",
"formula_reduced": "SnS",
"formula_anonymous": "AB",
"energy": -9.44599664,
"energy_per_atom": -4.72299832,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -8.94299664,
"band_gap": 0.8982999999999999,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:40.448000Z",
"spacegroup": 225
},
{
"id": "mp-1202007",
"created_at": "2022-09-04T14:45:34.538264Z",
"structure_string": "Sn12 S28\n1.0\n6.665407 11.561355 0.000000\n-6.665407 11.561355 0.000000\n0.000000 5.086255 15.473046\nSn S\n12 28\ndirect\n0.734623 0.414018 0.261180 Sn\n0.585982 0.265377 0.238820 Sn\n0.265377 0.585982 0.738820 Sn\n0.414018 0.734623 0.761180 Sn\n0.747246 0.677860 0.259245 Sn\n0.322140 0.252754 0.240755 Sn\n0.252754 0.322140 0.740755 Sn\n0.677860 0.747246 0.759245 Sn\n0.010773 0.400699 0.261527 Sn\n0.599301 0.989227 0.238473 Sn\n0.989227 0.599301 0.738473 Sn\n0.400699 0.010773 0.761527 Sn\n0.854655 0.520261 0.154871 S\n0.479739 0.145345 0.345129 S\n0.145345 0.479739 0.845129 S\n0.520261 0.854655 0.654871 S\n0.929063 0.581692 0.321824 S\n0.418308 0.070937 0.178176 S\n0.070937 0.418308 0.678176 S\n0.581692 0.929063 0.821824 S\n0.609319 0.595603 0.323942 S\n0.404397 0.390681 0.176058 S\n0.390681 0.404397 0.676058 S\n0.595603 0.609319 0.823942 S\n0.914918 0.274099 0.322481 S\n0.725901 0.085082 0.177519 S\n0.085082 0.725901 0.677519 S\n0.274099 0.914918 0.822481 S\n0.711175 0.838102 0.135415 S\n0.161898 0.288825 0.364585 S\n0.288825 0.161898 0.864585 S\n0.838102 0.711175 0.635415 S\n0.690732 0.380546 0.136990 S\n0.619454 0.309268 0.363010 S\n0.309268 0.619454 0.863010 S\n0.380546 0.690732 0.636990 S\n0.647321 0.829173 0.362079 S\n0.170827 0.352679 0.137921 S\n0.352679 0.170827 0.637921 S\n0.829173 0.647321 0.862079 S\n",
"nsites": 40,
"nelements": 2,
"elements": [
"Sn",
"S"
],
"chemical_system": "S-Sn",
"density": 1.617088086990735,
"density_atomic": 0.016773309824647017,
"volume": 2384.7410211920874,
"volume_molar": 35.903115264412236,
"formula_full": "Sn12 S28",
"formula_reduced": "Sn3S7",
"formula_anonymous": "A3B7",
"energy": -178.67785824000003,
"energy_per_atom": -4.4669464560000005,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -164.59385824000003,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 8.0120332,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:02.383000Z",
"spacegroup": 15
},
{
"id": "mp-1170",
"created_at": "2022-09-04T14:48:04.669870Z",
"structure_string": "Sn1 S2\n1.0\n1.849960 -3.204225 0.000000\n1.849960 3.204225 0.000000\n0.000000 0.000000 6.977959\nSn S\n1 2\ndirect\n0.000000 0.000000 0.000000 Sn\n0.333333 0.666667 0.211787 S\n0.666667 0.333333 0.788213 S\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Sn",
"S"
],
"chemical_system": "S-Sn",
"density": 3.67008868138164,
"density_atomic": 0.03626415004692781,
"volume": 82.72632878801336,
"volume_molar": 16.60631988398189,
"formula_full": "Sn1 S2",
"formula_reduced": "SnS2",
"formula_anonymous": "AB2",
"energy": -14.412714219999998,
"energy_per_atom": -4.804238073333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -13.40671422,
"band_gap": 1.5722999999999998,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.6e-06,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:27.087000Z",
"spacegroup": 164
},
{
"id": "mp-1187038",
"created_at": "2022-09-04T14:39:48.930133Z",
"structure_string": "Sn3 S1\n1.0\n0.000000 3.663960 3.663960\n3.663960 0.000000 3.663960\n3.663960 3.663960 0.000000\nSn S\n3 1\ndirect\n0.250000 0.250000 0.250000 Sn\n0.750000 0.750000 0.750000 Sn\n0.500000 0.500000 0.500000 Sn\n0.000000 0.000000 0.000000 S\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Sn",
"S"
],
"chemical_system": "S-Sn",
"density": 6.552648437563735,
"density_atomic": 0.04066097837987584,
"volume": 98.37441594813426,
"volume_molar": 14.810614500561334,
"formula_full": "Sn3 S1",
"formula_reduced": "Sn3S",
"formula_anonymous": "AB3",
"energy": -16.276394019999998,
"energy_per_atom": -4.0690985049999995,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.77339402,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003526,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:33.573000Z",
"spacegroup": 225
},
{
"id": "mp-9984",
"created_at": "2022-09-04T14:42:23.303268Z",
"structure_string": "Sn2 S4\n1.0\n1.850421 -3.205023 0.000000\n1.850421 3.205023 0.000000\n0.000000 0.000000 13.328174\nSn S\n2 4\ndirect\n0.333333 0.666667 0.625021 Sn\n0.666667 0.333333 0.125021 Sn\n0.666667 0.333333 0.735859 S\n0.333333 0.666667 0.235859 S\n0.000000 0.000000 0.014121 S\n0.000000 0.000000 0.514121 S\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Sn",
"S"
],
"chemical_system": "S-Sn",
"density": 3.841032282604105,
"density_atomic": 0.03795324394695857,
"volume": 158.08925340835899,
"volume_molar": 15.867262277807457,
"formula_full": "Sn2 S4",
"formula_reduced": "SnS2",
"formula_anonymous": "AB2",
"energy": -28.82108199,
"energy_per_atom": -4.803513665,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -26.809081990000003,
"band_gap": 1.4856999999999996,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002061,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:45.141000Z",
"spacegroup": 186
},
{
"id": "mp-554134",
"created_at": "2022-09-04T14:46:26.908896Z",
"structure_string": "Sn2 S2\n1.0\n2.912465 -2.943034 0.000000\n2.912465 2.943034 0.000000\n0.000000 0.000000 22.774007\nSn S\n2 2\ndirect\n0.249000 0.251000 0.435555 Sn\n0.749000 0.751000 0.564445 Sn\n0.785000 0.715000 0.451460 S\n0.285000 0.215000 0.548540 S\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Sn",
"S"
],
"chemical_system": "S-Sn",
"density": 1.2825756497389547,
"density_atomic": 0.010245532881108462,
"volume": 390.41405131552716,
"volume_molar": 58.77820929259919,
"formula_full": "Sn2 S2",
"formula_reduced": "SnS",
"formula_anonymous": "AB",
"energy": -18.85613809,
"energy_per_atom": -4.7140345225,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -17.85013809,
"band_gap": 1.668,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0001063,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:31.901000Z",
"spacegroup": 39
}
]
}