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=68",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-chemical_system&page=66",
"results": [
{
"id": "mp-12406",
"created_at": "2022-09-04T14:42:29.422885Z",
"structure_string": "U2 S6\n1.0\n3.922453 0.000000 0.000000\n0.000000 5.417401 0.000000\n0.000000 1.207824 9.535027\nU S\n2 6\ndirect\n0.250000 0.719426 0.137022 U\n0.750000 0.280574 0.862978 U\n0.250000 0.128569 0.689309 S\n0.750000 0.871431 0.310691 S\n0.750000 0.489788 0.310717 S\n0.250000 0.510212 0.689283 S\n0.750000 0.764255 0.936042 S\n0.250000 0.235745 0.063958 S\n",
"nsites": 8,
"nelements": 2,
"elements": [
"U",
"S"
],
"chemical_system": "S-U",
"density": 5.478301745341185,
"density_atomic": 0.03948383495076617,
"volume": 202.61456390888807,
"volume_molar": 15.252167798566749,
"formula_full": "U2 S6",
"formula_reduced": "US3",
"formula_anonymous": "AB3",
"energy": -59.26989331,
"energy_per_atom": -7.40873666375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -56.25189331,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.0084948,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:53.103000Z",
"spacegroup": 11
},
{
"id": "mp-1216920",
"created_at": "2022-09-04T14:47:18.567934Z",
"structure_string": "U5 S10\n1.0\n0.000000 0.000000 5.213099\n-5.296626 5.296626 2.606550\n-5.296626 -5.296626 -2.606550\nU S\n5 10\ndirect\n0.338264 0.500000 0.176528 U\n0.661736 0.500000 0.823472 U\n0.838264 0.823472 0.500000 U\n0.161736 0.176528 0.500000 U\n0.250000 0.000000 0.000000 U\n0.415948 0.862296 0.699514 S\n0.578730 0.137704 0.300486 S\n0.921270 0.300486 0.137704 S\n0.084052 0.699514 0.862296 S\n0.716434 0.699514 0.137704 S\n0.278244 0.300486 0.862296 S\n0.783566 0.137704 0.699514 S\n0.221756 0.862296 0.300486 S\n0.250000 0.500000 0.500000 S\n0.750000 0.500000 0.500000 S\n",
"nsites": 15,
"nelements": 2,
"elements": [
"U",
"S"
],
"chemical_system": "S-U",
"density": 8.576891628135202,
"density_atomic": 0.05128220314841485,
"volume": 292.499133794794,
"volume_molar": 11.743139705935482,
"formula_full": "U5 S10",
"formula_reduced": "US2",
"formula_anonymous": "AB2",
"energy": -123.24024444,
"energy_per_atom": -8.216016296,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -118.21024444,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 10.6453351,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:05.213000Z",
"spacegroup": 97
},
{
"id": "mp-1194185",
"created_at": "2022-09-04T14:39:28.031744Z",
"structure_string": "U8 S20\n1.0\n7.384917 0.000000 0.000000\n0.000000 7.392246 0.000000\n0.000000 0.000000 9.910275\nU S\n8 20\ndirect\n0.237913 0.011550 0.852711 U\n0.262087 0.511550 0.647289 U\n0.737913 0.988450 0.647289 U\n0.762087 0.488450 0.852711 U\n0.762087 0.988450 0.147289 U\n0.737913 0.488450 0.352711 U\n0.262087 0.011550 0.352711 U\n0.237913 0.511550 0.147289 U\n0.367494 0.382924 0.393670 S\n0.132506 0.882924 0.106330 S\n0.867494 0.617076 0.106330 S\n0.632506 0.117076 0.393670 S\n0.632506 0.617076 0.606330 S\n0.867494 0.117076 0.893670 S\n0.132506 0.382924 0.893670 S\n0.367494 0.882924 0.606330 S\n0.893912 0.856081 0.397606 S\n0.606088 0.356081 0.102394 S\n0.393912 0.143919 0.102394 S\n0.106088 0.643919 0.397606 S\n0.106088 0.143919 0.602394 S\n0.393912 0.643919 0.897606 S\n0.606088 0.856081 0.897606 S\n0.893912 0.356081 0.602394 S\n0.000000 0.250000 0.250098 S\n0.500000 0.750000 0.249902 S\n0.000000 0.750000 0.749902 S\n0.500000 0.250000 0.750098 S\n",
"nsites": 28,
"nelements": 2,
"elements": [
"U",
"S"
],
"chemical_system": "S-U",
"density": 7.813035545628084,
"density_atomic": 0.05175475963421032,
"volume": 541.0130430108649,
"volume_molar": 11.635916778597723,
"formula_full": "U8 S20",
"formula_reduced": "U2S5",
"formula_anonymous": "A2B5",
"energy": -216.68232397,
"energy_per_atom": -7.7386544275,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -206.62232397,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 15.9998916,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:26.954000Z",
"spacegroup": 60
},
{
"id": "mp-17043",
"created_at": "2022-09-04T14:44:17.077577Z",
"structure_string": "Tm8 Zn4 S16\n1.0\n6.293192 0.000000 0.000000\n0.000000 7.794250 0.000000\n0.000000 0.000000 13.395121\nTm Zn S\n8 4 16\ndirect\n0.502953 0.750000 0.765115 Tm\n0.002953 0.250000 0.734885 Tm\n0.497047 0.250000 0.234885 Tm\n0.997047 0.750000 0.265115 Tm\n0.500000 0.500000 0.500000 Tm\n0.000000 0.500000 0.000000 Tm\n0.500000 0.000000 0.500000 Tm\n0.000000 0.000000 0.000000 Tm\n0.088585 0.750000 0.591575 Zn\n0.588585 0.250000 0.908425 Zn\n0.911415 0.250000 0.408425 Zn\n0.411415 0.750000 0.091575 Zn\n0.242475 0.511608 0.168330 S\n0.742475 0.488392 0.331670 S\n0.757525 0.011608 0.831670 S\n0.257525 0.988392 0.668330 S\n0.757525 0.488392 0.831670 S\n0.257525 0.511608 0.668330 S\n0.242475 0.988392 0.168330 S\n0.742475 0.011608 0.331670 S\n0.254764 0.750000 0.929011 S\n0.754764 0.250000 0.570989 S\n0.745236 0.250000 0.070989 S\n0.245236 0.750000 0.429011 S\n0.777240 0.750000 0.090321 S\n0.277240 0.250000 0.409679 S\n0.222760 0.250000 0.909679 S\n0.722760 0.750000 0.590321 S\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Tm",
"Zn",
"S"
],
"chemical_system": "S-Tm-Zn",
"density": 5.373422361561581,
"density_atomic": 0.04261535168080311,
"volume": 657.0402189737913,
"volume_molar": 14.131388155862123,
"formula_full": "Tm8 Zn4 S16",
"formula_reduced": "Tm2ZnS4",
"formula_anonymous": "AB2C4",
"energy": -162.63539201,
"energy_per_atom": -5.8084068575000005,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -154.58739201,
"band_gap": 2.3802000000000003,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0044898,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:29.540000Z",
"spacegroup": 62
},
{
"id": "mp-1192415",
"created_at": "2022-09-04T14:39:41.358948Z",
"structure_string": "Yb4 Tm8 S16\n1.0\n3.838580 0.000000 0.000000\n0.000000 12.816304 0.000000\n0.000000 0.000000 13.012143\nYb Tm S\n4 8 16\ndirect\n0.250000 0.368609 0.583687 Yb\n0.250000 0.868609 0.916313 Yb\n0.750000 0.631391 0.416313 Yb\n0.750000 0.131391 0.083687 Yb\n0.250000 0.107353 0.416699 Tm\n0.250000 0.607353 0.083301 Tm\n0.750000 0.892647 0.583301 Tm\n0.750000 0.392647 0.916699 Tm\n0.250000 0.146842 0.797495 Tm\n0.250000 0.646842 0.702505 Tm\n0.750000 0.853158 0.202505 Tm\n0.750000 0.353158 0.297495 Tm\n0.250000 0.216668 0.237051 S\n0.250000 0.716668 0.262949 S\n0.750000 0.783332 0.762949 S\n0.750000 0.283332 0.737051 S\n0.250000 0.257559 0.974128 S\n0.250000 0.757559 0.525872 S\n0.750000 0.742441 0.025872 S\n0.750000 0.242441 0.474128 S\n0.250000 0.469787 0.382756 S\n0.250000 0.969787 0.117244 S\n0.750000 0.530213 0.617244 S\n0.750000 0.030213 0.882756 S\n0.250000 0.033724 0.618061 S\n0.250000 0.533724 0.881939 S\n0.750000 0.966276 0.381939 S\n0.750000 0.466276 0.118061 S\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Yb",
"Tm",
"S"
],
"chemical_system": "S-Tm-Yb",
"density": 6.631964215388252,
"density_atomic": 0.043739700756659824,
"volume": 640.1506986930336,
"volume_molar": 13.76813433979213,
"formula_full": "Yb4 Tm8 S16",
"formula_reduced": "Yb(TmS2)2",
"formula_anonymous": "AB2C4",
"energy": -175.97283542,
"energy_per_atom": -6.284744122142857,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -167.92483542,
"band_gap": 1.4918000000000005,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.003423,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:25.021000Z",
"spacegroup": 62
},
{
"id": "mp-1215472",
"created_at": "2022-09-04T14:46:25.578609Z",
"structure_string": "Yb1 Tm1 S2\n1.0\n6.543796 -1.940777 0.000000\n6.543796 1.940777 0.000000\n5.968195 0.000000 3.311877\nYb Tm S\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Yb\n0.500000 0.500000 0.500000 Tm\n0.247545 0.247545 0.247545 S\n0.752455 0.752455 0.752455 S\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Yb",
"Tm",
"S"
],
"chemical_system": "S-Tm-Yb",
"density": 8.016356186702751,
"density_atomic": 0.047549987581073185,
"volume": 84.12199883711772,
"volume_molar": 12.66486295024198,
"formula_full": "Yb1 Tm1 S2",
"formula_reduced": "YbTmS2",
"formula_anonymous": "ABC2",
"energy": -23.67514029,
"energy_per_atom": -5.9187850725,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -22.66914029,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.014742,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:36.866000Z",
"spacegroup": 166
},
{
"id": "mp-1216697",
"created_at": "2022-09-04T14:47:15.299606Z",
"structure_string": "Tm4 U1 S7\n1.0\n1.871085 6.348997 0.000000\n-1.871085 6.348997 0.000000\n0.000000 2.954842 11.180966\nTm U S\n4 1 7\ndirect\n0.699614 0.699614 0.187352 Tm\n0.301770 0.301770 0.811598 Tm\n0.117919 0.117919 0.577479 Tm\n0.999836 0.999836 0.997401 Tm\n0.884282 0.884282 0.423921 U\n0.739026 0.739026 0.653793 S\n0.253819 0.253819 0.348445 S\n0.041066 0.041066 0.212127 S\n0.959501 0.959501 0.784454 S\n0.502364 0.502364 0.503399 S\n0.341420 0.341420 0.050396 S\n0.659383 0.659383 0.949636 S\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Tm",
"U",
"S"
],
"chemical_system": "S-Tm-U",
"density": 7.114880899714795,
"density_atomic": 0.04517241241668618,
"volume": 265.6488630562342,
"volume_molar": 13.331457050488384,
"formula_full": "Tm4 U1 S7",
"formula_reduced": "Tm4US7",
"formula_anonymous": "AB4C7",
"energy": -83.77061612,
"energy_per_atom": -6.980884676666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -80.24961612,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.3358044,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:01.713000Z",
"spacegroup": 8
},
{
"id": "mp-1102847",
"created_at": "2022-09-04T14:40:54.616094Z",
"structure_string": "Tm5 S7\n1.0\n1.872187 6.313161 0.000000\n-1.872187 6.313161 0.000000\n0.000000 2.862968 11.105692\nTm S\n5 7\ndirect\n0.000000 0.000000 0.000000 Tm\n0.112066 0.112066 0.578471 Tm\n0.887934 0.887934 0.421529 Tm\n0.300149 0.300149 0.813171 Tm\n0.699851 0.699851 0.186829 Tm\n0.500000 0.500000 0.500000 S\n0.659096 0.659096 0.949260 S\n0.340904 0.340904 0.050740 S\n0.958500 0.958500 0.784999 S\n0.041500 0.041500 0.215001 S\n0.259095 0.259095 0.352901 S\n0.740905 0.740905 0.647099 S\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Tm",
"S"
],
"chemical_system": "S-Tm",
"density": 6.762484743478794,
"density_atomic": 0.04570982255271623,
"volume": 262.5256308129536,
"volume_molar": 13.174719182194996,
"formula_full": "Tm5 S7",
"formula_reduced": "Tm5S7",
"formula_anonymous": "A5B7",
"energy": -79.45336869,
"energy_per_atom": -6.621114057500001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -75.93236869,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0087004,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:02.013000Z",
"spacegroup": 12
},
{
"id": "mp-1193566",
"created_at": "2022-09-04T14:39:45.259244Z",
"structure_string": "Tm12 S18\n1.0\n3.405051 -5.897722 0.000000\n3.405051 5.897722 0.000000\n0.000000 0.000000 18.555822\nTm S\n12 18\ndirect\n0.000000 0.000000 0.455138 Tm\n0.000000 0.000000 0.955138 Tm\n0.000000 0.000000 0.157460 Tm\n0.000000 0.000000 0.657460 Tm\n0.666667 0.333333 0.491058 Tm\n0.333333 0.666667 0.491058 Tm\n0.333333 0.666667 0.991058 Tm\n0.666667 0.333333 0.991058 Tm\n0.666667 0.333333 0.292261 Tm\n0.333333 0.666667 0.292261 Tm\n0.333333 0.666667 0.792261 Tm\n0.666667 0.333333 0.792261 Tm\n0.631294 0.000000 0.395195 S\n0.368706 0.368706 0.395195 S\n0.000000 0.631294 0.395195 S\n0.368706 0.000000 0.895195 S\n0.631294 0.631294 0.895195 S\n0.000000 0.368706 0.895195 S\n0.699658 0.000000 0.052067 S\n0.300342 0.300342 0.052067 S\n0.000000 0.699658 0.052067 S\n0.300342 0.000000 0.552067 S\n0.699658 0.699658 0.552067 S\n0.000000 0.300342 0.552067 S\n0.339433 0.000000 0.223990 S\n0.660567 0.660567 0.223990 S\n0.000000 0.339433 0.223990 S\n0.660567 0.000000 0.723990 S\n0.339433 0.339433 0.723990 S\n0.000000 0.660567 0.723990 S\n",
"nsites": 30,
"nelements": 2,
"elements": [
"Tm",
"S"
],
"chemical_system": "S-Tm",
"density": 5.802770891070373,
"density_atomic": 0.040253453189090085,
"volume": 745.277674913389,
"volume_molar": 14.960556878713163,
"formula_full": "Tm12 S18",
"formula_reduced": "Tm2S3",
"formula_anonymous": "A2B3",
"energy": -197.92539645,
"energy_per_atom": -6.597513215,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -188.87139645,
"band_gap": 2.4261000000000004,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001945,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:27.920000Z",
"spacegroup": 185
},
{
"id": "mp-2309",
"created_at": "2022-09-04T14:43:18.736867Z",
"structure_string": "Tm8 S12\n1.0\n3.886458 0.000000 0.000000\n0.000000 10.899188 0.000000\n0.000000 3.604600 10.556382\nTm S\n8 12\ndirect\n0.250000 0.817269 0.002787 Tm\n0.750000 0.182731 0.997213 Tm\n0.250000 0.456587 0.190244 Tm\n0.750000 0.543413 0.809756 Tm\n0.250000 0.067937 0.331736 Tm\n0.750000 0.932063 0.668264 Tm\n0.250000 0.339422 0.583602 Tm\n0.750000 0.660578 0.416398 Tm\n0.250000 0.022811 0.113234 S\n0.750000 0.977189 0.886766 S\n0.250000 0.691055 0.250401 S\n0.750000 0.308945 0.749599 S\n0.250000 0.102039 0.563591 S\n0.750000 0.897961 0.436409 S\n0.250000 0.581652 0.598285 S\n0.750000 0.418348 0.401715 S\n0.250000 0.753781 0.776913 S\n0.750000 0.246219 0.223087 S\n0.250000 0.389772 0.963092 S\n0.750000 0.610228 0.036908 S\n",
"nsites": 20,
"nelements": 2,
"elements": [
"Tm",
"S"
],
"chemical_system": "S-Tm",
"density": 6.4476144015620855,
"density_atomic": 0.044726691673106576,
"volume": 447.1602806255771,
"volume_molar": 13.46431076104163,
"formula_full": "Tm8 S12",
"formula_reduced": "Tm2S3",
"formula_anonymous": "A2B3",
"energy": -132.48870645,
"energy_per_atom": -6.6244353225,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -126.45270645,
"band_gap": 1.1832000000000005,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0003797,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:15.577000Z",
"spacegroup": 11
},
{
"id": "mp-974",
"created_at": "2022-09-04T14:47:28.755668Z",
"structure_string": "Tm8 S12\n1.0\n3.810516 0.000000 0.000000\n0.000000 10.388962 0.000000\n0.000000 0.000000 10.505311\nTm S\n8 12\ndirect\n0.250000 0.996135 0.807745 Tm\n0.750000 0.687252 0.010973 Tm\n0.250000 0.312748 0.989027 Tm\n0.750000 0.812748 0.510973 Tm\n0.750000 0.496135 0.692255 Tm\n0.750000 0.003865 0.192255 Tm\n0.250000 0.187252 0.489027 Tm\n0.250000 0.503865 0.307745 Tm\n0.750000 0.444750 0.118594 S\n0.250000 0.944750 0.381406 S\n0.750000 0.055250 0.618594 S\n0.250000 0.555250 0.881406 S\n0.750000 0.805321 0.773603 S\n0.750000 0.373528 0.454133 S\n0.250000 0.626472 0.545867 S\n0.250000 0.194679 0.226397 S\n0.250000 0.305321 0.726397 S\n0.250000 0.873528 0.045867 S\n0.750000 0.694679 0.273603 S\n0.750000 0.126472 0.954133 S\n",
"nsites": 20,
"nelements": 2,
"elements": [
"Tm",
"S"
],
"chemical_system": "S-Tm",
"density": 6.932620317506858,
"density_atomic": 0.048091146913612104,
"volume": 415.87696038788044,
"volume_molar": 12.522347971483802,
"formula_full": "Tm8 S12",
"formula_reduced": "Tm2S3",
"formula_anonymous": "A2B3",
"energy": -132.33926157,
"energy_per_atom": -6.6169630784999995,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -126.30326157,
"band_gap": 0.6559999999999997,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0004406,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:14.344000Z",
"spacegroup": 62
},
{
"id": "mp-1766",
"created_at": "2022-09-04T14:42:16.016209Z",
"structure_string": "Tm1 S1\n1.0\n0.000000 2.715829 2.715829\n2.715829 0.000000 2.715829\n2.715829 2.715829 0.000000\nTm S\n1 1\ndirect\n0.500000 0.500000 0.500000 Tm\n0.000000 0.000000 0.000000 S\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Tm",
"S"
],
"chemical_system": "S-Tm",
"density": 8.331173672185798,
"density_atomic": 0.04992208732287771,
"volume": 40.06242741944533,
"volume_molar": 12.063078855359167,
"formula_full": "Tm1 S1",
"formula_reduced": "TmS",
"formula_anonymous": "AB",
"energy": -12.96713975,
"energy_per_atom": -6.483569875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -12.46413975,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0007539,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:40.267000Z",
"spacegroup": 225
}
]
}