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=-decomposes_to&page=64",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-decomposes_to&page=62",
"results": [
{
"id": "mp-555908",
"created_at": "2022-09-04T14:40:18.080220Z",
"structure_string": "Co2 F4\n1.0\n3.218556 0.000000 0.000000\n0.000000 4.746797 0.000000\n0.000000 0.000000 4.746797\nCo F\n2 4\ndirect\n0.000000 0.000000 0.000000 Co\n0.500000 0.500000 0.500000 Co\n0.000000 0.695713 0.695713 F\n0.500000 0.804287 0.195713 F\n0.000000 0.304287 0.304287 F\n0.500000 0.195713 0.804287 F\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Co",
"F"
],
"chemical_system": "Co-F",
"density": 4.438895528685817,
"density_atomic": 0.082734922054541,
"volume": 72.52076693859269,
"volume_molar": 7.27883777545599,
"formula_full": "Co2 F4",
"formula_reduced": "CoF2",
"formula_anonymous": "AB2",
"energy": -35.97231171,
"energy_per_atom": -5.995385285,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -30.84831171,
"band_gap": 2.2721,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 2.43e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:50.622000Z",
"spacegroup": 136
},
{
"id": "mp-1208841",
"created_at": "2022-09-04T14:40:18.090415Z",
"structure_string": "Sr2 Fe1 As2 F1\n1.0\n3.430460 0.000000 0.000000\n0.000000 3.430460 0.000000\n0.000000 0.000000 15.593046\nSr Fe As F\n2 1 2 1\ndirect\n0.500000 0.500000 0.146252 Sr\n0.500000 0.500000 0.853748 Sr\n0.500000 0.500000 0.500000 Fe\n0.500000 0.500000 0.658007 As\n0.500000 0.500000 0.341993 As\n0.500000 0.500000 0.000000 F\n",
"nsites": 6,
"nelements": 4,
"elements": [
"Sr",
"Fe",
"As",
"F"
],
"chemical_system": "As-F-Fe-Sr",
"density": 3.619042743072486,
"density_atomic": 0.03269757697795089,
"volume": 183.49983560084613,
"volume_molar": 18.417697323752574,
"formula_full": "Sr2 Fe1 As2 F1",
"formula_reduced": "Sr2FeAs2F",
"formula_anonymous": "ABC2D2",
"energy": -24.60349506,
"energy_per_atom": -4.10058251,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -21.88549506,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.6614358,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:56.357000Z",
"spacegroup": 123
},
{
"id": "mp-1179899",
"created_at": "2022-09-04T14:40:18.097993Z",
"structure_string": "Pt4 N8 Cl8 O8\n1.0\n7.528554 0.000000 0.000000\n0.000000 7.528554 0.000000\n0.000000 0.000000 16.857680\nPt N Cl O\n4 8 8 8\ndirect\n0.500000 0.500000 0.073586 Pt\n0.000000 0.000000 0.573586 Pt\n0.000000 0.000000 0.426414 Pt\n0.500000 0.500000 0.926414 Pt\n0.500000 0.131304 0.284991 N\n0.500000 0.868696 0.284991 N\n0.631304 0.000000 0.784991 N\n0.368696 0.000000 0.784991 N\n0.000000 0.368696 0.215009 N\n0.000000 0.631304 0.215009 N\n0.868696 0.500000 0.715009 N\n0.131304 0.500000 0.715009 N\n0.500000 0.207204 0.082800 Cl\n0.500000 0.792796 0.082800 Cl\n0.707204 0.000000 0.582800 Cl\n0.292796 0.000000 0.582800 Cl\n0.000000 0.292796 0.417200 Cl\n0.000000 0.707204 0.417200 Cl\n0.792796 0.500000 0.917200 Cl\n0.207204 0.500000 0.917200 Cl\n0.126465 0.500000 0.215041 O\n0.873535 0.500000 0.215041 O\n0.000000 0.626465 0.715041 O\n0.000000 0.373535 0.715041 O\n0.373535 0.000000 0.284959 O\n0.626465 0.000000 0.284959 O\n0.500000 0.873535 0.784959 O\n0.500000 0.126465 0.784959 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Pt",
"N",
"Cl",
"O"
],
"chemical_system": "Cl-N-O-Pt",
"density": 2.266254473817407,
"density_atomic": 0.02930468693406719,
"volume": 955.4785575084759,
"volume_molar": 20.55009416599213,
"formula_full": "Pt4 N8 Cl8 O8",
"formula_reduced": "PtN2(ClO)2",
"formula_anonymous": "AB2C2D2",
"energy": -141.94597370999998,
"energy_per_atom": -5.0694990610714274,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -131.53797371,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.0027103,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:52.397000Z",
"spacegroup": 137
},
{
"id": "mp-1093775",
"created_at": "2022-09-04T14:40:18.098598Z",
"structure_string": "Na1 Ca1 Hg2\n1.0\n-5.993736 6.482277 8.469417\n5.993736 -6.482277 8.469417\n5.993736 6.482277 -8.469417\nNa Ca Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Na\n0.500000 0.000000 0.500000 Ca\n0.761102 0.000000 0.761102 Hg\n0.238898 0.000000 0.238898 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Na",
"Ca",
"Hg"
],
"chemical_system": "Ca-Hg-Na",
"density": 0.5856797655983741,
"density_atomic": 0.003038934141056762,
"volume": 1316.25096640266,
"volume_molar": 198.16621487907125,
"formula_full": "Na1 Ca1 Hg2",
"formula_reduced": "NaCaHg2",
"formula_anonymous": "ABC2",
"energy": -1.62282907,
"energy_per_atom": -0.4057072675,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1.62282907,
"band_gap": 0.1912,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0303226,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:51.177000Z",
"spacegroup": 71
},
{
"id": "mp-29665",
"created_at": "2022-09-04T14:40:18.099392Z",
"structure_string": "Sb3 Au1\n1.0\n-2.984496 2.984496 2.984496\n2.984496 -2.984496 2.984496\n2.984496 2.984496 -2.984496\nSb Au\n3 1\ndirect\n0.500000 0.000000 0.500000 Sb\n0.500000 0.500000 0.000000 Sb\n0.000000 0.500000 0.500000 Sb\n0.000000 0.000000 0.000000 Au\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Sb",
"Au"
],
"chemical_system": "Au-Sb",
"density": 8.780169835386813,
"density_atomic": 0.03761724594084844,
"volume": 106.33420655754102,
"volume_molar": 16.00898898731068,
"formula_full": "Sb3 Au1",
"formula_reduced": "Sb3Au",
"formula_anonymous": "AB3",
"energy": -16.03362616,
"energy_per_atom": -4.00840654,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.45762616,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000213,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:59.285000Z",
"spacegroup": 229
},
{
"id": "mp-1176543",
"created_at": "2022-09-04T14:40:18.107353Z",
"structure_string": "Li3 V3 Fe3 O12\n1.0\n5.242412 0.000000 0.000000\n-0.108014 5.943427 0.000000\n-2.596929 -1.573462 7.294982\nLi V Fe O\n3 3 3 12\ndirect\n0.003465 0.509829 0.003637 Li\n0.004238 0.346830 0.338312 Li\n0.992502 0.153607 0.662001 Li\n0.514814 0.754562 0.001422 V\n0.461356 0.075145 0.325249 V\n0.497662 0.910479 0.666682 V\n0.499869 0.253127 0.998912 Fe\n0.525585 0.582382 0.341410 Fe\n0.504363 0.415457 0.666797 Fe\n0.725668 0.543026 0.156014 O\n0.690710 0.035461 0.154474 O\n0.715592 0.343524 0.475960 O\n0.698856 0.893972 0.504310 O\n0.717162 0.216021 0.820596 O\n0.710921 0.711335 0.830723 O\n0.280554 0.295696 0.179797 O\n0.298230 0.790180 0.177373 O\n0.273537 0.125483 0.507120 O\n0.303300 0.615129 0.507949 O\n0.296558 0.958689 0.826909 O\n0.286602 0.472422 0.856920 O\n",
"nsites": 21,
"nelements": 4,
"elements": [
"Li",
"V",
"Fe",
"O"
],
"chemical_system": "Fe-Li-O-V",
"density": 3.895173553619407,
"density_atomic": 0.09239042995526388,
"volume": 227.2962687820411,
"volume_molar": 6.5181434515630725,
"formula_full": "Li3 V3 Fe3 O12",
"formula_reduced": "LiVFeO4",
"formula_anonymous": "ABCD4",
"energy": -162.26463232999998,
"energy_per_atom": -7.726887253809523,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -142.15263233,
"band_gap": 1.6311999999999998,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 17.9998127,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:59.424000Z",
"spacegroup": 1
},
{
"id": "mp-1306174",
"created_at": "2022-09-04T14:40:18.166433Z",
"structure_string": "Li4 Ti2 V6 O16\n1.0\n1.712771 -5.677781 -0.015369\n-5.251269 -1.544333 2.544531\n-3.573631 -1.077262 -7.728551\nLi Ti V O\n4 2 6 16\ndirect\n0.750006 0.749926 0.750029 Li\n0.250019 0.249952 0.250038 Li\n0.250029 0.750038 0.750015 Li\n0.750041 0.250009 0.250000 Li\n0.997991 0.004854 0.001216 Ti\n0.502115 0.494889 0.498714 Ti\n0.498155 0.998870 0.001287 V\n0.001988 0.501342 0.498836 V\n0.250128 0.750051 0.249998 V\n0.750224 0.249981 0.749949 V\n0.749782 0.750012 0.250003 V\n0.249807 0.250068 0.750002 V\n0.000724 0.515456 0.268054 O\n0.500839 0.017340 0.768615 O\n0.999129 0.482631 0.731349 O\n0.499189 0.984513 0.231907 O\n0.497690 0.514782 0.269872 O\n0.998250 0.016296 0.770289 O\n0.501781 0.483694 0.729725 O\n0.002227 0.985241 0.230151 O\n0.256316 0.788422 0.006966 O\n0.756132 0.287744 0.505188 O\n0.751530 0.784557 0.010461 O\n0.251246 0.283597 0.508092 O\n0.248695 0.216423 0.991913 O\n0.748431 0.715439 0.489534 O\n0.743866 0.212258 0.994787 O\n0.243661 0.711626 0.493056 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Ti",
"V",
"O"
],
"chemical_system": "Li-O-Ti-V",
"density": 3.7034924432960286,
"density_atomic": 0.09114707189175601,
"volume": 307.19582559110734,
"volume_molar": 6.607058937835923,
"formula_full": "Li4 Ti2 V6 O16",
"formula_reduced": "Li2TiV3O8",
"formula_anonymous": "AB2C3D8",
"energy": -231.64250459,
"energy_per_atom": -8.2729465925,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -210.45050459,
"band_gap": 1.2735,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9984467,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:53.426000Z",
"spacegroup": 11
},
{
"id": "mp-28774",
"created_at": "2022-09-04T14:40:18.092553Z",
"structure_string": "K8 Sn8 F24\n1.0\n8.229647 0.000000 0.000000\n2.745406 9.827944 0.000000\n3.190902 1.023903 9.952636\nK Sn F\n8 8 24\ndirect\n0.542591 0.876304 0.367945 K\n0.457409 0.123696 0.632055 K\n0.050247 0.849422 0.394307 K\n0.949753 0.150578 0.605693 K\n0.747471 0.509936 0.490560 K\n0.252529 0.490064 0.509440 K\n0.736979 0.025200 0.990395 K\n0.263021 0.974800 0.009605 K\n0.540851 0.623898 0.144765 Sn\n0.459149 0.376102 0.855235 Sn\n0.028173 0.644605 0.130745 Sn\n0.971827 0.355395 0.869255 Sn\n0.274319 0.246630 0.251701 Sn\n0.725681 0.753370 0.748299 Sn\n0.786981 0.221068 0.261288 Sn\n0.213019 0.778932 0.738712 Sn\n0.383839 0.692295 0.327905 F\n0.616161 0.307705 0.672095 F\n0.566741 0.824426 0.069740 F\n0.433259 0.175574 0.930260 F\n0.939088 0.855352 0.155007 F\n0.060912 0.144648 0.844993 F\n0.054461 0.596735 0.325683 F\n0.945539 0.403265 0.674317 F\n0.744352 0.643809 0.246690 F\n0.255648 0.356191 0.753310 F\n0.284507 0.707909 0.089114 F\n0.715493 0.292091 0.910886 F\n0.219531 0.057260 0.255175 F\n0.780469 0.942740 0.744825 F\n0.256543 0.223132 0.455778 F\n0.743457 0.776868 0.544222 F\n0.050667 0.706318 0.646946 F\n0.949333 0.293682 0.353054 F\n0.453913 0.872626 0.765936 F\n0.546087 0.127374 0.234064 F\n0.233799 0.923383 0.571787 F\n0.766201 0.076617 0.428213 F\n0.419380 0.637650 0.633916 F\n0.580620 0.362350 0.366084 F\n",
"nsites": 40,
"nelements": 3,
"elements": [
"K",
"Sn",
"F"
],
"chemical_system": "F-K-Sn",
"density": 3.5448548438377405,
"density_atomic": 0.04969102900247951,
"volume": 804.9742740888714,
"volume_molar": 12.119170966855012,
"formula_full": "K8 Sn8 F24",
"formula_reduced": "KSnF3",
"formula_anonymous": "ABC3",
"energy": -198.64966031,
"energy_per_atom": -4.96624150775,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -187.56166031,
"band_gap": 3.5114,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 5.95e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:51.506000Z",
"spacegroup": 2
},
{
"id": "mp-770187",
"created_at": "2022-09-04T14:40:18.094425Z",
"structure_string": "Cr6 Te2 O16\n1.0\n5.980154 -0.000026 -0.000090\n-2.990099 5.178917 0.000103\n-0.000147 0.000121 9.180199\nCr Te O\n6 2 16\ndirect\n0.170687 0.829301 0.212947 Cr\n0.170698 0.341429 0.213000 Cr\n0.658540 0.829269 0.212993 Cr\n0.341459 0.170742 0.712954 Cr\n0.829306 0.658590 0.712960 Cr\n0.829314 0.170734 0.712958 Cr\n0.333337 0.666687 0.490552 Te\n0.666665 0.333343 0.990546 Te\n0.172061 0.827971 0.596905 O\n0.044032 0.522015 0.345193 O\n0.333328 0.666635 0.108842 O\n0.999931 0.000008 0.293326 O\n0.000024 0.000006 0.793298 O\n0.172056 0.344090 0.596898 O\n0.477982 0.955974 0.345190 O\n0.477979 0.521999 0.345203 O\n0.344072 0.172068 0.096898 O\n0.655931 0.827969 0.596896 O\n0.522037 0.478005 0.845168 O\n0.522038 0.044046 0.845180 O\n0.666686 0.333365 0.608814 O\n0.827918 0.655926 0.096903 O\n0.955987 0.477997 0.845185 O\n0.827934 0.172037 0.096913 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Cr",
"Te",
"O"
],
"chemical_system": "Cr-O-Te",
"density": 4.807670831669213,
"density_atomic": 0.08441291884459981,
"volume": 284.31667010807746,
"volume_molar": 7.134145865855529,
"formula_full": "Cr6 Te2 O16",
"formula_reduced": "Cr3TeO8",
"formula_anonymous": "AB3C8",
"energy": -189.88167684,
"energy_per_atom": -7.911736535,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -166.89567684,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 16.0004229,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:03.584000Z",
"spacegroup": 186
},
{
"id": "mp-1187426",
"created_at": "2022-09-04T14:40:18.095604Z",
"structure_string": "Th1 Mg1 Hg2\n1.0\n0.000000 3.685898 3.685898\n3.685898 0.000000 3.685898\n3.685898 3.685898 0.000000\nTh Mg Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Th\n0.500000 0.500000 0.500000 Mg\n0.250000 0.250000 0.250000 Hg\n0.750000 0.750000 0.750000 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Th",
"Mg",
"Hg"
],
"chemical_system": "Hg-Mg-Th",
"density": 10.901848738767098,
"density_atomic": 0.03993926398369786,
"volume": 100.15207094534072,
"volume_molar": 15.078246715958702,
"formula_full": "Th1 Mg1 Hg2",
"formula_reduced": "ThMgHg2",
"formula_anonymous": "ABC2",
"energy": -10.83465653,
"energy_per_atom": -2.7086641325,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -10.83465653,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.21e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:51.311000Z",
"spacegroup": 225
},
{
"id": "mp-1221842",
"created_at": "2022-09-04T14:40:18.105518Z",
"structure_string": "Mn3 B4 Mo3\n1.0\n3.994746 -4.068364 0.000000\n3.994746 4.068364 0.000000\n0.000000 0.000000 3.091960\nMn B Mo\n3 4 3\ndirect\n0.500183 0.996950 0.000000 Mn\n0.996950 0.500183 0.000000 Mn\n0.673487 0.673487 0.500000 Mn\n0.113428 0.113428 0.000000 B\n0.872323 0.872323 0.000000 B\n0.622859 0.400766 0.000000 B\n0.400766 0.622859 0.000000 B\n0.327097 0.327097 0.500000 Mo\n0.174345 0.818562 0.500000 Mo\n0.818562 0.174345 0.500000 Mo\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Mn",
"B",
"Mo"
],
"chemical_system": "B-Mn-Mo",
"density": 8.193155939052085,
"density_atomic": 0.09950093554871622,
"volume": 100.50156759685886,
"volume_molar": 6.052345866689391,
"formula_full": "Mn3 B4 Mo3",
"formula_reduced": "Mn3B4Mo3",
"formula_anonymous": "A3B3C4",
"energy": -90.98469495,
"energy_per_atom": -9.098469495,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -90.98469495,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.2683595,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:52.118000Z",
"spacegroup": 38
},
{
"id": "mp-756056",
"created_at": "2022-09-04T14:40:15.969691Z",
"structure_string": "Li5 V5 Ni2 O12\n1.0\n4.473240 2.592607 0.000000\n-4.473240 2.592607 0.000000\n0.000000 1.673940 9.752307\nLi V Ni O\n5 5 2 12\ndirect\n0.837518 0.661283 0.263050 Li\n0.688416 0.855223 0.736681 Li\n0.338717 0.162482 0.736950 Li\n0.144777 0.311584 0.263319 Li\n0.078770 0.921230 0.500000 Li\n0.576978 0.423022 0.000000 V\n0.425353 0.574647 0.500000 V\n0.915962 0.084038 0.000000 V\n0.003394 0.514409 0.740263 V\n0.485591 0.996606 0.259737 V\n0.753400 0.246600 0.500000 Ni\n0.246289 0.753711 0.000000 Ni\n0.055162 0.229025 0.620758 O\n0.770975 0.944838 0.379242 O\n0.849850 0.357576 0.121943 O\n0.642424 0.150150 0.878057 O\n0.715648 0.534612 0.625288 O\n0.465388 0.284352 0.374712 O\n0.551522 0.729763 0.117131 O\n0.270237 0.448478 0.882869 O\n0.369135 0.847501 0.627912 O\n0.152499 0.630865 0.372088 O\n0.216542 0.054547 0.117390 O\n0.945453 0.783458 0.882610 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Li",
"V",
"Ni",
"O"
],
"chemical_system": "Li-Ni-O-V",
"density": 4.39570876153957,
"density_atomic": 0.10609990443536413,
"volume": 226.20190025355544,
"volume_molar": 5.675915347943294,
"formula_full": "Li5 V5 Ni2 O12",
"formula_reduced": "Li5V5(NiO6)2",
"formula_anonymous": "A2B5C5D12",
"energy": -179.71674076,
"energy_per_atom": -7.488197531666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -157.89074076,
"band_gap": 0.9321000000000002,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 13.9999985,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:01.974000Z",
"spacegroup": 5
}
]
}