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=-volume_molar&page=1729",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-volume_molar&page=1727",
"results": [
{
"id": "mp-1011377",
"created_at": "2022-09-04T14:47:25.177179Z",
"structure_string": "Ce2 Se4\n1.0\n-3.045351 3.485558 3.762762\n3.045351 -3.485558 3.762762\n3.045351 3.485558 -3.762762\nCe Se\n2 4\ndirect\n0.750000 0.750000 0.000000 Ce\n0.250000 0.250000 0.000000 Ce\n0.789120 0.308577 0.097697 Se\n0.210880 0.691423 0.902303 Se\n0.289120 0.191423 0.480542 Se\n0.710880 0.808577 0.519458 Se\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ce",
"Se"
],
"chemical_system": "Ce-Se",
"density": 6.195429351144809,
"density_atomic": 0.03755561170542112,
"volume": 159.76307474533573,
"volume_molar": 16.035262072780213,
"formula_full": "Ce2 Se4",
"formula_reduced": "CeSe2",
"formula_anonymous": "AB2",
"energy": -36.26520797,
"energy_per_atom": -6.044201328333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -34.37720797,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.9422658,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:06.687000Z",
"spacegroup": 72
},
{
"id": "mp-667418",
"created_at": "2022-09-04T14:47:24.127110Z",
"structure_string": "As20 Pb12 S40\n1.0\n8.451860 0.000000 0.000000\n0.000000 8.414369 0.000000\n0.000000 2.603248 26.957202\nAs Pb S\n20 12 40\ndirect\n0.152927 0.185479 0.592985 As\n0.989344 0.018287 0.321270 As\n0.653609 0.553810 0.819101 As\n0.173094 0.887937 0.180055 As\n0.348028 0.015090 0.908560 As\n0.507329 0.250787 0.191983 As\n0.489344 0.981713 0.678730 As\n0.007329 0.749213 0.808017 As\n0.346234 0.564891 0.911686 As\n0.652927 0.814521 0.407015 As\n0.151981 0.734690 0.586988 As\n0.862295 0.199936 0.680582 As\n0.673094 0.112063 0.819945 As\n0.240910 0.182724 0.304243 As\n0.651981 0.265310 0.413012 As\n0.848028 0.984910 0.091440 As\n0.846234 0.435109 0.088314 As\n0.362295 0.800064 0.319418 As\n0.740910 0.817276 0.695757 As\n0.153609 0.446190 0.180899 As\n0.054909 0.245939 0.831847 Pb\n0.415269 0.477360 0.665204 Pb\n0.268147 0.006606 0.457292 Pb\n0.554909 0.754061 0.168153 Pb\n0.796019 0.481453 0.550756 Pb\n0.915269 0.522640 0.334796 Pb\n0.236654 0.242101 0.042917 Pb\n0.721338 0.254624 0.954674 Pb\n0.736654 0.757899 0.957083 Pb\n0.296019 0.518547 0.449244 Pb\n0.768147 0.993394 0.542708 Pb\n0.221338 0.745376 0.045326 Pb\n0.141730 0.288356 0.370792 S\n0.194062 0.779473 0.934404 S\n0.022265 0.265765 0.135546 S\n0.475752 0.582537 0.357712 S\n0.901464 0.848838 0.261639 S\n0.800480 0.034119 0.435658 S\n0.540826 0.312041 0.856068 S\n0.522265 0.734235 0.864454 S\n0.401464 0.151162 0.738361 S\n0.040826 0.687959 0.143932 S\n0.010576 0.239013 0.522111 S\n0.347886 0.972792 0.118414 S\n0.484957 0.250076 0.480451 S\n0.175292 0.075483 0.753346 S\n0.300480 0.965881 0.564342 S\n0.675292 0.924517 0.246654 S\n0.622266 0.202879 0.634706 S\n0.693582 0.789284 0.068558 S\n0.975752 0.417463 0.642288 S\n0.992884 0.495866 0.018254 S\n0.694062 0.220527 0.065596 S\n0.630840 0.424652 0.239145 S\n0.847886 0.027208 0.881586 S\n0.477819 0.997805 0.361627 S\n0.507860 0.995998 0.977105 S\n0.358941 0.660711 0.748061 S\n0.984957 0.749924 0.519549 S\n0.858941 0.339289 0.251939 S\n0.977819 0.002195 0.638373 S\n0.811911 0.456987 0.436254 S\n0.130840 0.575348 0.760855 S\n0.007860 0.004002 0.022895 S\n0.641730 0.711644 0.629208 S\n0.510576 0.760987 0.477889 S\n0.492884 0.504134 0.981746 S\n0.122266 0.797121 0.365294 S\n0.390523 0.440560 0.135866 S\n0.193582 0.210716 0.931442 S\n0.890523 0.559440 0.864134 S\n0.311911 0.543013 0.563746 S\n",
"nsites": 72,
"nelements": 3,
"elements": [
"As",
"Pb",
"S"
],
"chemical_system": "As-Pb-S",
"density": 4.562463196530298,
"density_atomic": 0.03755638957607889,
"volume": 1917.1171886516902,
"volume_molar": 16.034929949272158,
"formula_full": "As20 Pb12 S40",
"formula_reduced": "As5Pb3S10",
"formula_anonymous": "A3B5C10",
"energy": -332.6985535,
"energy_per_atom": -4.620813243055555,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -312.5785535,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.3735221,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:08.081000Z",
"spacegroup": 4
},
{
"id": "mp-1390793",
"created_at": "2022-09-04T14:40:07.896403Z",
"structure_string": "Sb1 S4 N3\n1.0\n5.604830 0.000000 0.000000\n-1.216354 6.202764 0.000000\n-0.591747 -3.113091 6.127045\nSb S N\n1 4 3\ndirect\n0.029824 0.850123 0.038193 Sb\n0.116414 0.166737 0.449838 S\n0.669027 0.047494 0.065313 S\n0.057098 0.606210 0.449310 S\n0.688721 0.414999 0.924351 S\n0.217003 0.379963 0.539226 N\n0.909569 0.512980 0.059825 N\n0.312344 0.021497 0.473941 N\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Sb",
"S",
"N"
],
"chemical_system": "N-S-Sb",
"density": 2.2766318836562,
"density_atomic": 0.037557027728231926,
"volume": 213.00940153968398,
"volume_molar": 16.034657490941722,
"formula_full": "Sb1 S4 N3",
"formula_reduced": "SbS4N3",
"formula_anonymous": "AB3C4",
"energy": -30.91829877,
"energy_per_atom": -3.86478734625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -29.83529877,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001459,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:49.006000Z",
"spacegroup": 1
},
{
"id": "mp-1179558",
"created_at": "2022-09-04T14:42:22.152114Z",
"structure_string": "Sb1 S4 N3\n1.0\n-3.421414 2.916454 5.231673\n3.202321 -2.276347 3.997186\n4.572726 3.236642 -4.355492\nSb S N\n1 4 3\ndirect\n0.149877 0.970176 0.111684 Sb\n0.833263 0.883586 0.383425 S\n0.952506 0.330973 0.887193 S\n0.393790 0.942902 0.944481 S\n0.585001 0.311279 0.660650 S\n0.620037 0.782997 0.080811 N\n0.487020 0.090431 0.427195 N\n0.978503 0.687656 0.504562 N\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Sb",
"S",
"N"
],
"chemical_system": "N-S-Sb",
"density": 2.2766320859918134,
"density_atomic": 0.037557031066112016,
"volume": 213.00938260847934,
"volume_molar": 16.03465606586198,
"formula_full": "Sb1 S4 N3",
"formula_reduced": "SbS4N3",
"formula_anonymous": "AB3C4",
"energy": -41.3590105,
"energy_per_atom": -5.1698763125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -40.2760105,
"band_gap": 0.3388,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000585,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:47.074000Z",
"spacegroup": 1
},
{
"id": "mp-644143",
"created_at": "2022-09-04T14:46:52.191802Z",
"structure_string": "La2 Sb4 Au2\n1.0\n4.499158 0.000000 0.000000\n0.000000 4.499158 0.000000\n0.000000 0.000000 10.522881\nLa Sb Au\n2 4 2\ndirect\n0.000000 0.500000 0.252716 La\n0.500000 0.000000 0.747284 La\n0.000000 0.000000 0.500000 Sb\n0.500000 0.500000 0.500000 Sb\n0.000000 0.500000 0.826872 Sb\n0.500000 0.000000 0.173128 Sb\n0.000000 0.000000 0.000000 Au\n0.500000 0.500000 0.000000 Au\n",
"nsites": 8,
"nelements": 3,
"elements": [
"La",
"Sb",
"Au"
],
"chemical_system": "Au-La-Sb",
"density": 9.033467114623292,
"density_atomic": 0.03755716811558901,
"volume": 213.00860531812583,
"volume_molar": 16.034597553962982,
"formula_full": "La2 Sb4 Au2",
"formula_reduced": "LaSb2Au",
"formula_anonymous": "ABC2",
"energy": -39.9123675,
"energy_per_atom": -4.9890459375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -39.1443675,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003551,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:42.242000Z",
"spacegroup": 129
},
{
"id": "mp-1187152",
"created_at": "2022-09-04T14:40:20.332686Z",
"structure_string": "Sr1 Cd3\n1.0\n0.000000 3.762230 3.762230\n3.762230 0.000000 3.762230\n3.762230 3.762230 0.000000\nSr Cd\n1 3\ndirect\n0.000000 0.000000 0.000000 Sr\n0.250000 0.250000 0.250000 Cd\n0.750000 0.750000 0.750000 Cd\n0.500000 0.500000 0.500000 Cd\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Sr",
"Cd"
],
"chemical_system": "Cd-Sr",
"density": 6.624021975535018,
"density_atomic": 0.03755726592283973,
"volume": 106.50402529880316,
"volume_molar": 16.03455579639984,
"formula_full": "Sr1 Cd3",
"formula_reduced": "SrCd3",
"formula_anonymous": "AB3",
"energy": -5.37606295,
"energy_per_atom": -1.3440157375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.37606295,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0005772,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:03.235000Z",
"spacegroup": 225
},
{
"id": "mp-722003",
"created_at": "2022-09-04T14:40:54.155603Z",
"structure_string": "C4 N4 Cl4 O4\n1.0\n3.635795 -4.419381 0.000000\n3.635795 4.419381 0.000000\n0.000000 0.000000 13.256119\nC N Cl O\n4 4 4 4\ndirect\n0.296720 0.703280 0.469000 C\n0.703280 0.296720 0.531000 C\n0.203280 0.796720 0.969000 C\n0.796720 0.203280 0.031000 C\n0.114879 0.885121 0.338618 N\n0.885121 0.114879 0.661382 N\n0.385121 0.614879 0.838618 N\n0.614879 0.385121 0.161382 N\n0.720419 0.279581 0.402460 Cl\n0.279581 0.720419 0.597540 Cl\n0.779581 0.220419 0.902460 Cl\n0.220419 0.779581 0.097540 Cl\n0.147003 0.852997 0.433614 O\n0.852997 0.147003 0.566386 O\n0.352997 0.647003 0.933614 O\n0.647003 0.352997 0.066386 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"C",
"N",
"Cl",
"O"
],
"chemical_system": "C-Cl-N-O",
"density": 1.207909234699561,
"density_atomic": 0.0375588910216804,
"volume": 425.9976683221078,
"volume_molar": 16.03386201292204,
"formula_full": "C4 N4 Cl4 O4",
"formula_reduced": "CNClO",
"formula_anonymous": "ABCD",
"energy": -83.23695022999999,
"energy_per_atom": -5.202309389374999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -78.03295023,
"band_gap": 0.0,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 8.0019653,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:58.520000Z",
"spacegroup": 64
},
{
"id": "mp-1062114",
"created_at": "2022-09-04T14:43:17.257696Z",
"structure_string": "Sm1 Hg2\n1.0\n2.731184 3.826377 0.000000\n-2.731184 3.826377 0.000000\n0.000000 0.929335 3.821501\nSm Hg\n1 2\ndirect\n0.000000 0.000000 0.000000 Sm\n0.663450 0.663450 0.647495 Hg\n0.336550 0.336550 0.352505 Hg\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Sm",
"Hg"
],
"chemical_system": "Hg-Sm",
"density": 11.466303215132582,
"density_atomic": 0.037559392962739836,
"volume": 79.8734953724119,
"volume_molar": 16.0336477375291,
"formula_full": "Sm1 Hg2",
"formula_reduced": "SmHg2",
"formula_anonymous": "AB2",
"energy": -6.4975978,
"energy_per_atom": -2.1658659333333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.4975978,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0028636,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:14.236000Z",
"spacegroup": 12
},
{
"id": "mp-21288",
"created_at": "2022-09-04T14:43:51.658742Z",
"structure_string": "La4 In2 Ge4\n1.0\n7.726296 0.000000 0.000000\n0.000000 7.726296 0.000000\n0.000000 0.000000 4.459954\nLa In Ge\n4 2 4\ndirect\n0.319953 0.819953 0.500000 La\n0.819953 0.680047 0.500000 La\n0.180047 0.319953 0.500000 La\n0.680047 0.180047 0.500000 La\n0.000000 0.000000 0.000000 In\n0.500000 0.500000 0.000000 In\n0.382827 0.117173 0.000000 Ge\n0.882827 0.382827 0.000000 Ge\n0.117173 0.617173 0.000000 Ge\n0.617173 0.882827 0.000000 Ge\n",
"nsites": 10,
"nelements": 3,
"elements": [
"La",
"In",
"Ge"
],
"chemical_system": "Ge-In-La",
"density": 6.7098805898480665,
"density_atomic": 0.037560116967772436,
"volume": 266.23985246319285,
"volume_molar": 16.033338674549803,
"formula_full": "La4 In2 Ge4",
"formula_reduced": "La2InGe2",
"formula_anonymous": "AB2C2",
"energy": -51.40186471,
"energy_per_atom": -5.140186471,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -51.40186471,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0021758,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:19.461000Z",
"spacegroup": 127
},
{
"id": "mp-1209710",
"created_at": "2022-09-04T14:41:54.639208Z",
"structure_string": "Pr14 S12 Cl18\n1.0\n6.775430 0.000000 0.000000\n0.000000 7.068768 0.000000\n0.000000 3.337893 24.459349\nPr S Cl\n14 12 18\ndirect\n0.695025 0.376095 0.356676 Pr\n0.304975 0.623905 0.643324 Pr\n0.695025 0.123905 0.643324 Pr\n0.304975 0.876095 0.356676 Pr\n0.716502 0.507645 0.078479 Pr\n0.283498 0.492355 0.921521 Pr\n0.716502 0.992355 0.921521 Pr\n0.283498 0.007645 0.078479 Pr\n0.696157 0.863525 0.215386 Pr\n0.303843 0.136475 0.784614 Pr\n0.696157 0.636475 0.784614 Pr\n0.303843 0.363525 0.215386 Pr\n0.711848 0.750000 0.500000 Pr\n0.288152 0.250000 0.500000 Pr\n0.464378 0.926162 0.572004 S\n0.535622 0.073838 0.427996 S\n0.464378 0.573838 0.427996 S\n0.535622 0.426162 0.572004 S\n0.448047 0.617847 0.282003 S\n0.551953 0.382153 0.717997 S\n0.448047 0.882153 0.717997 S\n0.551953 0.117847 0.282003 S\n0.446404 0.688571 0.139368 S\n0.553596 0.311429 0.860632 S\n0.446404 0.811429 0.860632 S\n0.553596 0.188571 0.139368 S\n0.929049 0.733820 0.311889 Cl\n0.070951 0.266180 0.688111 Cl\n0.929049 0.766180 0.688111 Cl\n0.070951 0.233820 0.311889 Cl\n0.952006 0.439501 0.441034 Cl\n0.047994 0.560499 0.558966 Cl\n0.952006 0.060499 0.558966 Cl\n0.047994 0.939501 0.441034 Cl\n0.444396 0.750000 0.000000 Cl\n0.555604 0.250000 0.000000 Cl\n0.894703 0.876766 0.058487 Cl\n0.105297 0.123234 0.941513 Cl\n0.894703 0.623234 0.941513 Cl\n0.105297 0.376766 0.058487 Cl\n0.912006 0.529013 0.181328 Cl\n0.087994 0.470987 0.818672 Cl\n0.912006 0.970987 0.818672 Cl\n0.087994 0.029013 0.181328 Cl\n",
"nsites": 44,
"nelements": 3,
"elements": [
"Pr",
"S",
"Cl"
],
"chemical_system": "Cl-Pr-S",
"density": 4.246326589330292,
"density_atomic": 0.03756013907939285,
"volume": 1171.454661203327,
"volume_molar": 16.033329235737604,
"formula_full": "Pr14 S12 Cl18",
"formula_reduced": "Pr7(S2Cl3)3",
"formula_anonymous": "A6B7C9",
"energy": -262.49324424,
"energy_per_atom": -5.965755550909091,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -245.40524424,
"band_gap": 2.1879000000000004,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0130788,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:34.555000Z",
"spacegroup": 13
},
{
"id": "mp-1218743",
"created_at": "2022-09-04T14:48:07.187507Z",
"structure_string": "Sr2 Li1 N1\n1.0\n-1.961748 1.961748 6.918031\n1.961748 -1.961748 6.918031\n1.961748 1.961748 -6.918031\nSr Li N\n2 1 1\ndirect\n0.664167 0.664167 0.000000 Sr\n0.350064 0.350064 0.000000 Sr\n0.980738 0.980738 0.000000 Li\n0.838031 0.838031 0.000000 N\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sr",
"Li",
"N"
],
"chemical_system": "Li-N-Sr",
"density": 3.059087793614269,
"density_atomic": 0.037560473560186075,
"volume": 106.49492993187341,
"volume_molar": 16.033186456901973,
"formula_full": "Sr2 Li1 N1",
"formula_reduced": "Sr2LiN",
"formula_anonymous": "ABC2",
"energy": -15.09722172,
"energy_per_atom": -3.77430543,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.73622172,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 7.36e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:25.136000Z",
"spacegroup": 107
},
{
"id": "mp-7564",
"created_at": "2022-09-04T14:46:07.237875Z",
"structure_string": "Nb6 Te8\n1.0\n5.419717 -9.387226 0.000000\n5.419717 9.387226 0.000000\n0.000000 0.000000 3.663095\nNb Te\n6 8\ndirect\n0.102652 0.614101 0.750000 Nb\n0.385899 0.488551 0.750000 Nb\n0.511449 0.897348 0.750000 Nb\n0.897348 0.385899 0.250000 Nb\n0.614101 0.511449 0.250000 Nb\n0.488551 0.102652 0.250000 Nb\n0.666667 0.333333 0.750000 Te\n0.333333 0.666667 0.250000 Te\n0.273248 0.934755 0.750000 Te\n0.065245 0.338493 0.750000 Te\n0.661507 0.726752 0.750000 Te\n0.726752 0.065245 0.250000 Te\n0.934755 0.661507 0.250000 Te\n0.338493 0.273248 0.250000 Te\n",
"nsites": 14,
"nelements": 2,
"elements": [
"Nb",
"Te"
],
"chemical_system": "Nb-Te",
"density": 7.031202556166284,
"density_atomic": 0.037560898679959244,
"volume": 372.7280361231014,
"volume_molar": 16.03300499094058,
"formula_full": "Nb6 Te8",
"formula_reduced": "Nb3Te4",
"formula_anonymous": "A3B4",
"energy": -95.59599746,
"energy_per_atom": -6.8282855328571435,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -92.21999746,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0012754,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:21.511000Z",
"spacegroup": 176
}
]
}