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=formula_full&page=127",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=formula_full&page=125",
"results": [
{
"id": "mp-1229077",
"created_at": "2022-09-04T14:43:06.762780Z",
"structure_string": "Al1 In1 Cu2 S4\n1.0\n5.474408 0.000000 0.000000\n0.000000 5.474408 0.000000\n2.737204 2.737204 5.420688\nAl In Cu S\n1 1 2 4\ndirect\n0.250000 0.750000 0.500000 Al\n0.500000 0.500000 0.000000 In\n0.750000 0.250000 0.500000 Cu\n0.000000 0.000000 0.000000 Cu\n0.364992 0.890680 0.733582 S\n0.901426 0.375739 0.733582 S\n0.109320 0.098574 0.266418 S\n0.624261 0.635008 0.266418 S\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Al",
"In",
"Cu",
"S"
],
"chemical_system": "Al-Cu-In-S",
"density": 4.059538012329766,
"density_atomic": 0.04924489916458074,
"volume": 162.45337356186482,
"volume_molar": 12.228963531580158,
"formula_full": "Al1 In1 Cu2 S4",
"formula_reduced": "AlIn(CuS2)2",
"formula_anonymous": "ABC2D4",
"energy": -38.35317292,
"energy_per_atom": -4.794146615,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -36.34117292,
"band_gap": 0.7319999999999993,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0002585,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:05.276000Z",
"spacegroup": 82
},
{
"id": "mp-1229046",
"created_at": "2022-09-04T14:45:16.313441Z",
"structure_string": "Al1 In1 Cu2 Se4\n1.0\n-2.880706 2.880706 5.718492\n2.880706 -2.880706 5.718492\n2.880706 2.880706 -5.718492\nAl In Cu Se\n1 1 2 4\ndirect\n0.750000 0.250000 0.500000 Al\n0.500000 0.500000 0.000000 In\n0.250000 0.750000 0.500000 Cu\n0.000000 0.000000 0.000000 Cu\n0.101232 0.104567 0.469996 Se\n0.634571 0.631236 0.530004 Se\n0.368764 0.898768 0.003335 Se\n0.895433 0.365429 0.996665 Se\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Al",
"In",
"Cu",
"Se"
],
"chemical_system": "Al-Cu-In-Se",
"density": 5.115242565748683,
"density_atomic": 0.042145441084819324,
"volume": 189.81886994371922,
"volume_molar": 14.28894942131513,
"formula_full": "Al1 In1 Cu2 Se4",
"formula_reduced": "AlIn(CuSe2)2",
"formula_anonymous": "ABC2D4",
"energy": -34.75983409,
"energy_per_atom": -4.34497926125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.87183409,
"band_gap": 0.2407000000000003,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0001482,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:55.581000Z",
"spacegroup": 82
},
{
"id": "mp-1228917",
"created_at": "2022-09-04T14:41:23.223554Z",
"structure_string": "Al1 In1 Ga1 Sb3\n1.0\n-2.249486 2.256274 9.495988\n2.249486 -2.256274 9.495988\n2.249486 2.256274 -9.495988\nAl In Ga Sb\n1 1 1 3\ndirect\n0.336373 0.336373 0.000000 Al\n0.666602 0.666602 0.000000 In\n0.996987 0.996987 0.000000 Ga\n0.757352 0.257352 0.500000 Sb\n0.076169 0.576169 0.500000 Sb\n0.416514 0.916514 0.500000 Sb\n",
"nsites": 6,
"nelements": 4,
"elements": [
"Al",
"In",
"Ga",
"Sb"
],
"chemical_system": "Al-Ga-In-Sb",
"density": 4.968221828656634,
"density_atomic": 0.03112260697953973,
"volume": 192.78590652590418,
"volume_molar": 19.34973109405329,
"formula_full": "Al1 In1 Ga1 Sb3",
"formula_reduced": "AlInGaSb3",
"formula_anonymous": "ABCD3",
"energy": -23.23352577,
"energy_per_atom": -3.872254295,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -22.65752577,
"band_gap": 0.0297999999999998,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0018109,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:19.709000Z",
"spacegroup": 44
},
{
"id": "mp-1183160",
"created_at": "2022-09-04T14:45:15.884312Z",
"structure_string": "Al1 In1 O3\n1.0\n3.714679 0.000000 0.000000\n0.000000 3.714679 0.000000\n0.000000 0.000000 3.714679\nAl In O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Al\n0.000000 0.000000 0.000000 In\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Al",
"In",
"O"
],
"chemical_system": "Al-In-O",
"density": 6.1486002611286406,
"density_atomic": 0.09754525142241455,
"volume": 51.258261443683864,
"volume_molar": 6.173689310534901,
"formula_full": "Al1 In1 O3",
"formula_reduced": "AlInO3",
"formula_anonymous": "ABC3",
"energy": -32.56115584,
"energy_per_atom": -6.512231168,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -30.50015584,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0418222,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:00.510000Z",
"spacegroup": 221
},
{
"id": "mp-1228890",
"created_at": "2022-09-04T14:41:56.066694Z",
"structure_string": "Al1 In1 Sb2\n1.0\n4.550236 0.000000 0.000000\n0.000000 4.550236 0.000000\n0.000000 0.000000 6.398853\nAl In Sb\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.500000 In\n0.000000 0.500000 0.232407 Sb\n0.500000 0.000000 0.767593 Sb\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Al",
"In",
"Sb"
],
"chemical_system": "Al-In-Sb",
"density": 4.829477549251099,
"density_atomic": 0.030191870066669582,
"volume": 132.4859967655933,
"volume_molar": 19.94623303128269,
"formula_full": "Al1 In1 Sb2",
"formula_reduced": "AlInSb2",
"formula_anonymous": "ABC2",
"energy": -15.66034505,
"energy_per_atom": -3.9150862625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.27634505,
"band_gap": 0.3185000000000002,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0013538,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:31.330000Z",
"spacegroup": 115
},
{
"id": "mp-1228866",
"created_at": "2022-09-04T14:48:23.177848Z",
"structure_string": "Al1 In1 Sb2\n1.0\n7.518666 -2.276238 0.000000\n7.518666 2.276238 0.000000\n6.829547 0.000000 3.881868\nAl In Sb\n1 1 2\ndirect\n0.999706 0.999706 0.999706 Al\n0.500326 0.500326 0.500326 In\n0.120565 0.120565 0.120565 Sb\n0.629403 0.629403 0.629403 Sb\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Al",
"In",
"Sb"
],
"chemical_system": "Al-In-Sb",
"density": 4.815494686234951,
"density_atomic": 0.030104455065970582,
"volume": 132.87069941091585,
"volume_molar": 20.004151368304612,
"formula_full": "Al1 In1 Sb2",
"formula_reduced": "AlInSb2",
"formula_anonymous": "ABC2",
"energy": -15.57146233,
"energy_per_atom": -3.8928655825,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.18746233,
"band_gap": 0.2375999999999996,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0003974,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:54.462000Z",
"spacegroup": 160
},
{
"id": "mp-1229179",
"created_at": "2022-09-04T14:39:33.383814Z",
"structure_string": "Al1 In3 Cu4 Se8\n1.0\n5.829573 -0.000225 -0.000146\n2.914533 2.913420 5.801249\n2.914982 -8.740634 5.801232\nAl In Cu Se\n1 3 4 8\ndirect\n0.250168 0.375085 0.124930 Al\n0.249835 0.874875 0.625038 In\n0.496818 0.250787 0.752728 In\n0.503227 0.749267 0.247141 In\n0.749282 0.623024 0.877119 Cu\n0.750640 0.126987 0.372945 Cu\n0.999794 0.000589 0.001579 Cu\n0.000095 0.499428 0.498405 Cu\n0.364119 0.681287 0.051565 Se\n0.376080 0.204613 0.546472 Se\n0.901160 0.419207 0.314012 Se\n0.874674 0.920997 0.830029 Se\n0.103059 0.315550 0.951670 Se\n0.093205 0.812421 0.436261 Se\n0.659999 0.561630 0.687044 Se\n0.627846 0.084255 0.183060 Se\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Al",
"In",
"Cu",
"Se"
],
"chemical_system": "Al-Cu-In-Se",
"density": 5.297212925493132,
"density_atomic": 0.04059565556771794,
"volume": 394.1308442059833,
"volume_molar": 14.834446385412887,
"formula_full": "Al1 In3 Cu4 Se8",
"formula_reduced": "AlIn3(CuSe2)4",
"formula_anonymous": "AB3C4D8",
"energy": -67.74126711,
"energy_per_atom": -4.233829194375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -63.96526711,
"band_gap": 0.0425000000000004,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0015115,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:23.953000Z",
"spacegroup": 1
},
{
"id": "mp-1345578",
"created_at": "2022-09-04T14:44:00.499318Z",
"structure_string": "Al1 In3 Cu4 Se8\n1.0\n5.829573 0.000000 0.000000\n2.914275 6.491842 0.000000\n2.915172 1.261498 10.414437\nAl In Cu Se\n1 3 4 8\ndirect\n0.375098 0.375085 0.124930 Al\n0.874873 0.874875 0.625038 In\n0.249546 0.250787 0.752728 In\n0.750368 0.749267 0.247141 In\n0.626401 0.623024 0.877119 Cu\n0.123586 0.126987 0.372945 Cu\n0.001373 0.000589 0.001579 Cu\n0.498500 0.499428 0.498405 Cu\n0.415684 0.681287 0.051565 Se\n0.922553 0.204613 0.546472 Se\n0.215171 0.419207 0.314012 Se\n0.704703 0.920997 0.830029 Se\n0.054729 0.315550 0.951670 Se\n0.529466 0.812421 0.436261 Se\n0.347043 0.561630 0.687044 Se\n0.810907 0.084255 0.183060 Se\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Al",
"In",
"Cu",
"Se"
],
"chemical_system": "Al-Cu-In-Se",
"density": 5.297212194058168,
"density_atomic": 0.040595649962301986,
"volume": 394.13089862726554,
"volume_molar": 14.834448433741775,
"formula_full": "Al1 In3 Cu4 Se8",
"formula_reduced": "AlIn3(CuSe2)4",
"formula_anonymous": "AB3C4D8",
"energy": -51.64454653999999,
"energy_per_atom": -3.2277841587499996,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -47.86854654,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002686,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:26.368000Z",
"spacegroup": 1
},
{
"id": "mp-1885",
"created_at": "2022-09-04T14:44:02.109004Z",
"structure_string": "Al1 Ir1\n1.0\n3.017720 0.000000 0.000000\n0.000000 3.017720 0.000000\n0.000000 0.000000 3.017720\nAl Ir\n1 1\ndirect\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.500000 Ir\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Al",
"Ir"
],
"chemical_system": "Al-Ir",
"density": 13.244937958176171,
"density_atomic": 0.07277683626780186,
"volume": 27.481271549651655,
"volume_molar": 8.27480427678928,
"formula_full": "Al1 Ir1",
"formula_reduced": "AlIr",
"formula_anonymous": "AB",
"energy": -14.50196539,
"energy_per_atom": -7.250982695,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.50196539,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.08e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:32.486000Z",
"spacegroup": 221
},
{
"id": "mp-1183133",
"created_at": "2022-09-04T14:48:07.595227Z",
"structure_string": "Al1 Ir1 O3\n1.0\n3.664087 0.000000 0.000000\n0.000000 3.664087 0.000000\n0.000000 0.000000 3.664087\nAl Ir O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.500000 Ir\n0.000000 0.000000 0.500000 O\n0.000000 0.500000 0.000000 O\n0.500000 0.000000 0.000000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Al",
"Ir",
"O"
],
"chemical_system": "Al-Ir-O",
"density": 9.019509478935857,
"density_atomic": 0.10164187626629342,
"volume": 49.1923229250551,
"volume_molar": 5.924861859321136,
"formula_full": "Al1 Ir1 O3",
"formula_reduced": "AlIrO3",
"formula_anonymous": "ABC3",
"energy": -33.43165328,
"energy_per_atom": -6.686330656,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -31.37065328,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0371911,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:29.746000Z",
"spacegroup": 221
},
{
"id": "mp-1264535",
"created_at": "2022-09-04T14:44:12.604535Z",
"structure_string": "Al1 Mo12 S24\n1.0\n17.836250 -0.002974 10.138284\n1.967240 5.616497 3.376861\n-0.003531 -0.005564 6.842384\nAl Mo S\n1 12 24\ndirect\n0.667553 0.003617 0.003617 Al\n0.131452 0.394376 0.827857 Mo\n0.461056 0.397514 0.825833 Mo\n0.805318 0.393083 0.815563 Mo\n0.274835 0.398406 0.398406 Mo\n0.603013 0.400670 0.400670 Mo\n0.943694 0.394648 0.394648 Mo\n0.131452 0.827857 0.394376 Mo\n0.461056 0.825833 0.397514 Mo\n0.805318 0.815563 0.393083 Mo\n0.131247 0.399744 0.399744 Mo\n0.462127 0.407481 0.407481 Mo\n0.806386 0.391475 0.391475 Mo\n0.211180 0.639482 0.639482 S\n0.541225 0.639080 0.639080 S\n0.883134 0.636116 0.636116 S\n0.032962 0.641091 0.641091 S\n0.361607 0.647827 0.647827 S\n0.706813 0.631401 0.631401 S\n0.212810 0.102938 0.637692 S\n0.544691 0.101586 0.642699 S\n0.882908 0.094989 0.637528 S\n0.046772 0.602047 0.139099 S\n0.378816 0.599953 0.144361 S\n0.713339 0.599862 0.138278 S\n0.046426 0.135757 0.135757 S\n0.378112 0.138094 0.138094 S\n0.713879 0.137899 0.137899 S\n0.046772 0.139099 0.602047 S\n0.378816 0.144361 0.599953 S\n0.713339 0.138278 0.599862 S\n0.199612 0.139964 0.139964 S\n0.532998 0.140897 0.140897 S\n0.867922 0.138244 0.138244 S\n0.212810 0.637692 0.102938 S\n0.544691 0.642699 0.101586 S\n0.882908 0.637528 0.094989 S\n",
"nsites": 37,
"nelements": 3,
"elements": [
"Al",
"Mo",
"S"
],
"chemical_system": "Al-Mo-S",
"density": 4.715492290756554,
"density_atomic": 0.053942429409659085,
"volume": 685.9164558386515,
"volume_molar": 11.164014720704548,
"formula_full": "Al1 Mo12 S24",
"formula_reduced": "Al(MoS2)12",
"formula_anonymous": "AB12C24",
"energy": -270.41630124,
"energy_per_atom": -7.308548682162162,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -258.34430124,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0026974,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:32.627000Z",
"spacegroup": 8
},
{
"id": "mp-1360099",
"created_at": "2022-09-04T14:45:52.936524Z",
"structure_string": "Al1 Mo12 S24\n1.0\n3.418978 -5.921843 0.000000\n3.418978 5.921843 0.000000\n0.000000 0.000000 16.859008\nAl Mo S\n1 12 24\ndirect\n0.333333 0.666667 0.332646 Al\n0.477539 0.955078 0.869044 Mo\n0.141036 0.282072 0.538474 Mo\n0.808109 0.616218 0.195256 Mo\n0.333333 0.666667 0.724775 Mo\n0.000000 0.000000 0.396633 Mo\n0.666667 0.333333 0.057080 Mo\n0.044922 0.522461 0.869044 Mo\n0.717928 0.858964 0.538474 Mo\n0.383782 0.191891 0.195256 Mo\n0.477539 0.522461 0.869044 Mo\n0.141036 0.858964 0.538474 Mo\n0.808109 0.191891 0.195256 Mo\n0.154729 0.845271 0.788114 S\n0.823808 0.176192 0.457914 S\n0.485247 0.514753 0.116970 S\n0.333333 0.666667 0.967291 S\n0.000000 0.000000 0.637957 S\n0.666667 0.333333 0.293797 S\n0.690542 0.845271 0.788114 S\n0.352384 0.176192 0.457914 S\n0.029507 0.514753 0.116970 S\n0.356757 0.178379 0.953190 S\n0.026167 0.513084 0.620067 S\n0.691182 0.845591 0.286860 S\n0.821621 0.178379 0.953190 S\n0.486916 0.513084 0.620067 S\n0.154409 0.845591 0.286860 S\n0.821621 0.643243 0.953190 S\n0.486916 0.973833 0.620067 S\n0.154409 0.308818 0.286860 S\n0.666667 0.333333 0.799221 S\n0.333333 0.666667 0.466674 S\n0.000000 0.000000 0.134601 S\n0.154729 0.309458 0.788114 S\n0.823808 0.647616 0.457914 S\n0.485247 0.970493 0.116970 S\n",
"nsites": 37,
"nelements": 3,
"elements": [
"Al",
"Mo",
"S"
],
"chemical_system": "Al-Mo-S",
"density": 4.737869054247328,
"density_atomic": 0.05419840628558015,
"volume": 682.6769002217709,
"volume_molar": 11.111287531718864,
"formula_full": "Al1 Mo12 S24",
"formula_reduced": "Al(MoS2)12",
"formula_anonymous": "AB12C24",
"energy": -270.32466817,
"energy_per_atom": -7.306072112702703,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -258.25266817,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.5450205,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:08.770000Z",
"spacegroup": 156
}
]
}