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=99",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-chemical_system&page=97",
"results": [
{
"id": "mp-1001012",
"created_at": "2022-09-04T14:43:16.849442Z",
"structure_string": "Sc4 Zn2 S8\n1.0\n0.000000 5.275056 5.275056\n5.275056 0.000000 5.275056\n5.275056 5.275056 0.000000\nSc Zn S\n4 2 8\ndirect\n0.125000 0.625000 0.625000 Sc\n0.625000 0.125000 0.625000 Sc\n0.625000 0.625000 0.125000 Sc\n0.625000 0.625000 0.625000 Sc\n0.250000 0.250000 0.250000 Zn\n0.000000 0.000000 0.000000 Zn\n0.859497 0.380168 0.380168 S\n0.380168 0.859497 0.380168 S\n0.380168 0.380168 0.859497 S\n0.380168 0.380168 0.380168 S\n0.390503 0.869832 0.869832 S\n0.869832 0.390503 0.869832 S\n0.869832 0.869832 0.390503 S\n0.869832 0.869832 0.869832 S\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Sc",
"Zn",
"S"
],
"chemical_system": "S-Sc-Zn",
"density": 3.2080766346324734,
"density_atomic": 0.047688846367518044,
"volume": 293.5696932592548,
"volume_molar": 12.627985826266112,
"formula_full": "Sc4 Zn2 S8",
"formula_reduced": "Sc2ZnS4",
"formula_anonymous": "AB2C4",
"energy": -87.20893971,
"energy_per_atom": -6.229209979285714,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -83.18493971,
"band_gap": 0.5768,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 5.9e-06,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:05.162000Z",
"spacegroup": 227
},
{
"id": "mp-7792",
"created_at": "2022-09-04T14:44:24.038249Z",
"structure_string": "Y4 Sc4 S12\n1.0\n6.398160 0.000000 0.000000\n0.000000 7.026821 0.000000\n0.000000 0.000000 9.550257\nY Sc S\n4 4 12\ndirect\n0.458949 0.101063 0.250000 Y\n0.541051 0.898937 0.750000 Y\n0.041051 0.601063 0.250000 Y\n0.958949 0.398937 0.750000 Y\n0.000000 0.000000 0.500000 Sc\n0.000000 0.000000 0.000000 Sc\n0.500000 0.500000 0.500000 Sc\n0.500000 0.500000 0.000000 Sc\n0.143814 0.047418 0.750000 S\n0.856186 0.952582 0.250000 S\n0.356186 0.547418 0.750000 S\n0.643814 0.452582 0.250000 S\n0.176330 0.315317 0.428967 S\n0.823670 0.684683 0.928967 S\n0.323670 0.815317 0.428967 S\n0.676330 0.184683 0.928967 S\n0.676330 0.184683 0.571033 S\n0.323670 0.815317 0.071033 S\n0.823670 0.684683 0.571033 S\n0.176330 0.315317 0.071033 S\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Y",
"Sc",
"S"
],
"chemical_system": "S-Sc-Y",
"density": 3.5588939436423805,
"density_atomic": 0.04658015721774876,
"volume": 429.3673786137257,
"volume_molar": 12.928553958820348,
"formula_full": "Y4 Sc4 S12",
"formula_reduced": "YScS3",
"formula_anonymous": "ABC3",
"energy": -146.56180362,
"energy_per_atom": -7.328090181,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -140.52580362,
"band_gap": 1.7758000000000005,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.64e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:22.124000Z",
"spacegroup": 62
},
{
"id": "mp-1215915",
"created_at": "2022-09-04T14:42:56.681323Z",
"structure_string": "Y1 Sc1 S2\n1.0\n6.358956 -1.901108 0.000000\n6.358956 1.901108 0.000000\n5.790590 0.000000 3.243392\nY Sc S\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Y\n0.000000 0.000000 0.000000 Sc\n0.255974 0.255974 0.255974 S\n0.744026 0.744026 0.744026 S\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Y",
"Sc",
"S"
],
"chemical_system": "S-Sc-Y",
"density": 4.192510624971312,
"density_atomic": 0.0510079588666885,
"volume": 78.41913475609115,
"volume_molar": 11.806276694464731,
"formula_full": "Y1 Sc1 S2",
"formula_reduced": "YScS2",
"formula_anonymous": "ABC2",
"energy": -29.74727169,
"energy_per_atom": -7.4368179225,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -28.74127169,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0006054,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:57.124000Z",
"spacegroup": 166
},
{
"id": "mp-36052",
"created_at": "2022-09-04T14:46:55.176396Z",
"structure_string": "Sc2 U2 S4\n1.0\n-2.672861 2.672861 5.330266\n2.672861 -2.672861 5.330266\n2.672861 2.672861 -5.330266\nSc U S\n2 2 4\ndirect\n0.500000 0.500000 0.000000 Sc\n0.250000 0.750000 0.500000 Sc\n0.000000 0.000000 0.000000 U\n0.750000 0.250000 0.500000 U\n0.494545 0.994545 0.500000 S\n0.005455 0.505455 0.500000 S\n0.744545 0.744545 0.000000 S\n0.255455 0.255455 0.000000 S\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Sc",
"U",
"S"
],
"chemical_system": "S-Sc-U",
"density": 7.568165656745686,
"density_atomic": 0.05252044108409827,
"volume": 152.32164534166827,
"volume_molar": 11.466279863029058,
"formula_full": "Sc2 U2 S4",
"formula_reduced": "ScUS2",
"formula_anonymous": "ABC2",
"energy": -66.44187996,
"energy_per_atom": -8.305234995,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -64.42987996,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.5669442,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:45.955000Z",
"spacegroup": 141
},
{
"id": "mp-21583",
"created_at": "2022-09-04T14:44:20.926358Z",
"structure_string": "Sc4 U12 S24\n1.0\n3.772005 0.000000 0.000000\n0.000000 13.329691 0.000000\n0.000000 0.000000 16.391129\nSc U S\n4 12 24\ndirect\n0.500000 0.000000 0.000000 Sc\n0.000000 0.500000 0.500000 Sc\n0.500000 0.000000 0.500000 Sc\n0.000000 0.500000 0.000000 Sc\n0.500000 0.550804 0.283270 U\n0.500000 0.449196 0.716730 U\n0.000000 0.949196 0.783270 U\n0.000000 0.050804 0.216730 U\n0.500000 0.250555 0.901131 U\n0.500000 0.749445 0.098869 U\n0.000000 0.249445 0.401131 U\n0.000000 0.750555 0.598869 U\n0.500000 0.679067 0.848898 U\n0.500000 0.320933 0.151102 U\n0.000000 0.820933 0.348898 U\n0.000000 0.179067 0.651102 U\n0.500000 0.592601 0.578508 S\n0.500000 0.407399 0.421492 S\n0.000000 0.907399 0.078508 S\n0.000000 0.092601 0.921492 S\n0.500000 0.874028 0.890716 S\n0.500000 0.125972 0.109284 S\n0.000000 0.625972 0.390716 S\n0.000000 0.374028 0.609284 S\n0.500000 0.900457 0.246116 S\n0.500000 0.099543 0.753884 S\n0.000000 0.599543 0.746116 S\n0.000000 0.400457 0.253884 S\n0.500000 0.809909 0.475743 S\n0.500000 0.190091 0.524257 S\n0.000000 0.690091 0.975743 S\n0.000000 0.309909 0.024257 S\n0.500000 0.524761 0.106398 S\n0.500000 0.475239 0.893602 S\n0.000000 0.975239 0.606398 S\n0.000000 0.024761 0.393602 S\n0.500000 0.814755 0.711234 S\n0.500000 0.185245 0.288766 S\n0.000000 0.685245 0.211234 S\n0.000000 0.314755 0.788766 S\n",
"nsites": 40,
"nelements": 3,
"elements": [
"Sc",
"U",
"S"
],
"chemical_system": "S-Sc-U",
"density": 7.66806747908008,
"density_atomic": 0.048535418792323495,
"volume": 824.1404111738399,
"volume_molar": 12.407723905232851,
"formula_full": "Sc4 U12 S24",
"formula_reduced": "Sc(US2)3",
"formula_anonymous": "AB3C6",
"energy": -334.53369479,
"energy_per_atom": -8.36334236975,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -322.46169479,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 32.8483742,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:37.440000Z",
"spacegroup": 58
},
{
"id": "mp-619571",
"created_at": "2022-09-04T14:42:00.065681Z",
"structure_string": "Sc1 U8 S17\n1.0\n7.730994 -0.016378 1.306211\n3.171213 7.050669 1.306211\n-0.040563 -0.026172 10.500344\nSc U S\n1 8 17\ndirect\n0.000000 0.000000 0.000000 Sc\n0.795163 0.795163 0.459477 U\n0.204837 0.204837 0.540523 U\n0.698892 0.183477 0.697255 U\n0.183477 0.698892 0.697255 U\n0.816523 0.301108 0.302745 U\n0.681489 0.681489 0.982167 U\n0.318511 0.318511 0.017833 U\n0.301108 0.816523 0.302745 U\n0.479460 0.479460 0.169756 S\n0.696213 0.696213 0.247684 S\n0.568067 0.177540 0.466164 S\n0.058232 0.669213 0.963621 S\n0.210615 0.210615 0.278857 S\n0.431933 0.822460 0.533836 S\n0.520540 0.520540 0.830244 S\n0.669213 0.058232 0.963621 S\n0.938465 0.938465 0.235441 S\n0.061535 0.061535 0.764559 S\n0.303787 0.303787 0.752316 S\n0.330787 0.941768 0.036379 S\n0.822460 0.431933 0.533836 S\n0.941768 0.330787 0.036379 S\n0.177540 0.568067 0.466164 S\n0.000000 0.000000 0.500000 S\n0.789385 0.789385 0.721143 S\n",
"nsites": 26,
"nelements": 3,
"elements": [
"Sc",
"U",
"S"
],
"chemical_system": "S-Sc-U",
"density": 7.222903137108214,
"density_atomic": 0.04534075150030049,
"volume": 573.4355770399546,
"volume_molar": 13.281960622024734,
"formula_full": "Sc1 U8 S17",
"formula_reduced": "ScU8S17",
"formula_anonymous": "AB8C17",
"energy": -213.09547523,
"energy_per_atom": -8.195979816538461,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -204.54447523,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 13.1186457,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:35.294000Z",
"spacegroup": 12
},
{
"id": "mp-1219250",
"created_at": "2022-09-04T14:46:12.752593Z",
"structure_string": "Sc1 U1 S2\n1.0\n3.781394 0.000000 0.000000\n0.000000 3.781394 0.000000\n0.000000 0.000000 5.314317\nSc U S\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Sc\n0.000000 0.000000 0.000000 U\n0.000000 0.000000 0.500000 S\n0.500000 0.500000 0.000000 S\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sc",
"U",
"S"
],
"chemical_system": "S-Sc-U",
"density": 7.585268144944355,
"density_atomic": 0.0526391264121644,
"volume": 75.989103023481,
"volume_molar": 11.440426865838605,
"formula_full": "Sc1 U1 S2",
"formula_reduced": "ScUS2",
"formula_anonymous": "ABC2",
"energy": -33.25761248,
"energy_per_atom": -8.31440312,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.25161248,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.4142161,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:25.578000Z",
"spacegroup": 123
},
{
"id": "mp-7276",
"created_at": "2022-09-04T14:40:38.672399Z",
"structure_string": "Sc2 U2 S6\n1.0\n1.860037 -6.097953 0.000000\n1.860037 6.097953 0.000000\n0.000000 0.000000 9.141701\nSc U S\n2 2 6\ndirect\n0.500000 0.500000 0.500000 Sc\n0.500000 0.500000 0.000000 Sc\n0.249193 0.750807 0.250000 U\n0.750807 0.249193 0.750000 U\n0.141647 0.858353 0.936456 S\n0.858353 0.141647 0.063544 S\n0.858353 0.141647 0.436456 S\n0.141647 0.858353 0.563544 S\n0.414748 0.585252 0.750000 S\n0.585252 0.414748 0.250000 S\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Sc",
"U",
"S"
],
"chemical_system": "S-Sc-U",
"density": 6.072417835612301,
"density_atomic": 0.04822112471510848,
"volume": 207.37799168062196,
"volume_molar": 12.488594564268144,
"formula_full": "Sc2 U2 S6",
"formula_reduced": "ScUS3",
"formula_anonymous": "ABC3",
"energy": -79.74184418,
"energy_per_atom": -7.974184418,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -76.72384418,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.3884591,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:01.999000Z",
"spacegroup": 63
},
{
"id": "mp-13312",
"created_at": "2022-09-04T14:39:27.130044Z",
"structure_string": "Sc2 Tl2 S4\n1.0\n1.902136 -3.294596 0.000000\n1.902136 3.294596 0.000000\n0.000000 0.000000 15.015068\nSc Tl S\n2 2 4\ndirect\n0.000000 0.000000 0.500000 Sc\n0.000000 0.000000 0.000000 Sc\n0.666667 0.333333 0.750000 Tl\n0.333333 0.666667 0.250000 Tl\n0.333333 0.666667 0.905756 S\n0.666667 0.333333 0.405756 S\n0.333333 0.666667 0.594244 S\n0.666667 0.333333 0.094244 S\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Sc",
"Tl",
"S"
],
"chemical_system": "S-Sc-Tl",
"density": 5.531882594394041,
"density_atomic": 0.04250978965391655,
"volume": 188.19194508206502,
"volume_molar": 14.166479789779816,
"formula_full": "Sc2 Tl2 S4",
"formula_reduced": "ScTlS2",
"formula_anonymous": "ABC2",
"energy": -46.88890374,
"energy_per_atom": -5.8611129675,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -44.87690374,
"band_gap": 0.9331000000000004,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 9e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:32.605000Z",
"spacegroup": 194
},
{
"id": "mp-1188262",
"created_at": "2022-09-04T14:40:58.702670Z",
"structure_string": "Tb4 Sc4 S12\n1.0\n6.410963 0.000000 0.000000\n0.000000 7.047235 0.000000\n0.000000 0.000000 9.555817\nTb Sc S\n4 4 12\ndirect\n0.540851 0.399261 0.750000 Tb\n0.459149 0.600739 0.250000 Tb\n0.040851 0.100739 0.250000 Tb\n0.959149 0.899261 0.750000 Tb\n0.000000 0.500000 0.000000 Sc\n0.000000 0.500000 0.500000 Sc\n0.500000 0.000000 0.500000 Sc\n0.500000 0.000000 0.000000 Sc\n0.825101 0.186844 0.570488 S\n0.174899 0.813156 0.070488 S\n0.325101 0.313156 0.070488 S\n0.674899 0.686844 0.570488 S\n0.825101 0.186844 0.929512 S\n0.174899 0.813156 0.429512 S\n0.325101 0.313156 0.429512 S\n0.674899 0.686844 0.929512 S\n0.856975 0.453250 0.250000 S\n0.143025 0.546750 0.750000 S\n0.356975 0.046750 0.750000 S\n0.643025 0.953250 0.250000 S\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Tb",
"Sc",
"S"
],
"chemical_system": "S-Sc-Tb",
"density": 4.6166917849178715,
"density_atomic": 0.04632550338806701,
"volume": 431.7276346132873,
"volume_molar": 12.999622928115322,
"formula_full": "Tb4 Sc4 S12",
"formula_reduced": "TbScS3",
"formula_anonymous": "ABC3",
"energy": -139.33524367,
"energy_per_atom": -6.9667621835,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -133.29924367,
"band_gap": 1.7696,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0005432,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:00.334000Z",
"spacegroup": 62
},
{
"id": "mp-1217634",
"created_at": "2022-09-04T14:41:14.184385Z",
"structure_string": "Tb3 Sc2 S7\n1.0\n1.880086 6.232373 0.000000\n-1.880086 6.232373 0.000000\n0.000000 2.942010 11.035198\nTb Sc S\n3 2 7\ndirect\n0.304330 0.304330 0.798931 Tb\n0.695670 0.695670 0.201069 Tb\n0.000000 0.000000 0.000000 Tb\n0.111479 0.111479 0.570758 Sc\n0.888521 0.888521 0.429242 Sc\n0.263128 0.263128 0.362067 S\n0.736872 0.736872 0.637933 S\n0.662606 0.662606 0.946909 S\n0.337394 0.337394 0.053091 S\n0.968613 0.968613 0.775658 S\n0.031387 0.031387 0.224342 S\n0.500000 0.500000 0.500000 S\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Tb",
"Sc",
"S"
],
"chemical_system": "S-Sc-Tb",
"density": 5.079988622413565,
"density_atomic": 0.04640234914728445,
"volume": 258.60759682470217,
"volume_molar": 12.97809458069738,
"formula_full": "Tb3 Sc2 S7",
"formula_reduced": "Tb3Sc2S7",
"formula_anonymous": "A2B3C7",
"energy": -83.22826263,
"energy_per_atom": -6.9356885525,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -79.70726263,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0178015,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:09.658000Z",
"spacegroup": 12
},
{
"id": "mp-17678",
"created_at": "2022-09-04T14:48:29.933695Z",
"structure_string": "Sr4 Sc8 S16\n1.0\n3.804340 0.000000 0.000000\n0.000000 11.726119 0.000000\n0.000000 0.000000 13.744703\nSr Sc S\n4 8 16\ndirect\n0.250000 0.239090 0.333539 Sr\n0.750000 0.760910 0.666461 Sr\n0.250000 0.739090 0.166461 Sr\n0.750000 0.260910 0.833539 Sr\n0.250000 0.559995 0.390522 Sc\n0.750000 0.440005 0.609478 Sc\n0.250000 0.059995 0.109478 Sc\n0.750000 0.940005 0.890522 Sc\n0.250000 0.580766 0.901485 Sc\n0.750000 0.419234 0.098515 Sc\n0.250000 0.080766 0.598515 Sc\n0.750000 0.919234 0.401485 Sc\n0.250000 0.586128 0.575002 S\n0.750000 0.413872 0.424998 S\n0.250000 0.086128 0.924998 S\n0.750000 0.913872 0.075002 S\n0.250000 0.472142 0.215668 S\n0.750000 0.527858 0.784332 S\n0.250000 0.972142 0.284332 S\n0.750000 0.027858 0.715668 S\n0.250000 0.877393 0.526880 S\n0.750000 0.122607 0.473120 S\n0.250000 0.377393 0.973120 S\n0.750000 0.622607 0.026880 S\n0.750000 0.703646 0.339871 S\n0.250000 0.296354 0.660129 S\n0.750000 0.203646 0.160129 S\n0.250000 0.796354 0.839871 S\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Sr",
"Sc",
"S"
],
"chemical_system": "S-Sc-Sr",
"density": 3.3125769648088954,
"density_atomic": 0.045665587635575995,
"volume": 613.1531739709064,
"volume_molar": 13.18748114676274,
"formula_full": "Sr4 Sc8 S16",
"formula_reduced": "Sr(ScS2)2",
"formula_anonymous": "AB2C4",
"energy": -187.77492922,
"energy_per_atom": -6.706247472142857,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -179.72692922,
"band_gap": 1.3569999999999998,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0065666,
"is_theoretical": false,
"updated_at": "2021-11-28T01:39:45.947000Z",
"spacegroup": 62
}
]
}