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=is_stable&page=112",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=is_stable&page=110",
"results": [
{
"id": "mp-1207757",
"created_at": "2022-09-04T14:39:07.710526Z",
"structure_string": "Y6 Tl10\n1.0\n4.069675 -5.095666 0.000000\n4.069675 5.095666 0.000000\n0.000000 0.000000 10.588845\nY Tl\n6 10\ndirect\n0.795315 0.204685 0.000000 Y\n0.204685 0.795315 0.000000 Y\n0.204685 0.795315 0.500000 Y\n0.795315 0.204685 0.500000 Y\n0.621882 0.621882 0.250000 Y\n0.378118 0.378118 0.750000 Y\n0.069896 0.515699 0.250000 Tl\n0.930104 0.484301 0.750000 Tl\n0.515699 0.069896 0.250000 Tl\n0.484301 0.930104 0.750000 Tl\n0.007684 0.007684 0.250000 Tl\n0.992316 0.992316 0.750000 Tl\n0.304483 0.304483 0.039509 Tl\n0.695517 0.695517 0.960491 Tl\n0.695517 0.695517 0.539509 Tl\n0.304483 0.304483 0.460491 Tl\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Y",
"Tl"
],
"chemical_system": "Tl-Y",
"density": 9.744721387352488,
"density_atomic": 0.036431807079379375,
"volume": 439.176677817228,
"volume_molar": 16.529898577028227,
"formula_full": "Y6 Tl10",
"formula_reduced": "Y3Tl5",
"formula_anonymous": "A3B5",
"energy": -67.52447603,
"energy_per_atom": -4.220279751875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -67.52447603,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0025821,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:23.465000Z",
"spacegroup": 63
},
{
"id": "mp-1074201",
"created_at": "2022-09-04T14:39:07.711545Z",
"structure_string": "Mg8 Si14\n1.0\n3.754041 0.000000 0.000000\n0.000000 6.733362 0.000000\n0.000000 3.295988 15.381404\nMg Si\n8 14\ndirect\n0.000000 0.133292 0.070259 Mg\n0.000000 0.233243 0.487634 Mg\n0.500000 0.019660 0.634574 Mg\n0.500000 0.496617 0.333804 Mg\n0.000000 0.577770 0.152943 Mg\n0.500000 0.798787 0.820162 Mg\n0.500000 0.499938 0.581423 Mg\n0.500000 0.949115 0.417104 Mg\n0.500000 0.471980 0.020835 Si\n0.500000 0.835531 0.033180 Si\n0.000000 0.960963 0.916171 Si\n0.000000 0.510072 0.912748 Si\n0.000000 0.633701 0.440210 Si\n0.000000 0.816447 0.556306 Si\n0.500000 0.384451 0.765783 Si\n0.500000 0.879468 0.188194 Si\n0.000000 0.207745 0.302006 Si\n0.500000 0.212475 0.918484 Si\n0.000000 0.145963 0.747476 Si\n0.500000 0.257258 0.193412 Si\n0.000000 0.839342 0.290221 Si\n0.000000 0.639849 0.713482 Si\n",
"nsites": 22,
"nelements": 2,
"elements": [
"Mg",
"Si"
],
"chemical_system": "Mg-Si",
"density": 2.5097546984067223,
"density_atomic": 0.056584271171861926,
"volume": 388.80062505674016,
"volume_molar": 10.642782234853055,
"formula_full": "Mg8 Si14",
"formula_reduced": "Mg4Si7",
"formula_anonymous": "A4B7",
"energy": -83.99819242,
"energy_per_atom": -3.8180996554545454,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -84.99219242,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0009263,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:39.993000Z",
"spacegroup": 6
},
{
"id": "mp-759910",
"created_at": "2022-09-04T14:39:07.719253Z",
"structure_string": "Li6 Mn6 Fe2 O16\n1.0\n2.867243 -4.966211 0.000000\n2.867243 4.966211 0.000000\n0.000000 0.000000 9.520852\nLi Mn Fe O\n6 6 2 16\ndirect\n0.167850 0.832150 0.446044 Li\n0.664300 0.832150 0.446044 Li\n0.167850 0.335700 0.446044 Li\n0.832150 0.664300 0.946044 Li\n0.335700 0.167850 0.946044 Li\n0.832150 0.167850 0.946044 Li\n0.166024 0.833976 0.715252 Mn\n0.667952 0.833976 0.715252 Mn\n0.166024 0.332048 0.715252 Mn\n0.833976 0.667952 0.215252 Mn\n0.332048 0.166024 0.215252 Mn\n0.833976 0.166024 0.215252 Mn\n0.333333 0.666667 0.996421 Fe\n0.666667 0.333333 0.496421 Fe\n0.000000 0.000000 0.823172 O\n0.000000 0.000000 0.323172 O\n0.156405 0.843595 0.098115 O\n0.486400 0.972799 0.835452 O\n0.687190 0.843595 0.098115 O\n0.333333 0.666667 0.602562 O\n0.027201 0.513600 0.835452 O\n0.486400 0.513600 0.835452 O\n0.843595 0.687190 0.598115 O\n0.156405 0.312810 0.098115 O\n0.513600 0.486400 0.335452 O\n0.972799 0.486400 0.335452 O\n0.666667 0.333333 0.102562 O\n0.312810 0.156405 0.598115 O\n0.513600 0.027201 0.335452 O\n0.843595 0.156405 0.598115 O\n",
"nsites": 30,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Fe",
"O"
],
"chemical_system": "Fe-Li-Mn-O",
"density": 4.525550516359117,
"density_atomic": 0.11064346708340111,
"volume": 271.14117797290754,
"volume_molar": 5.4428344652835365,
"formula_full": "Li6 Mn6 Fe2 O16",
"formula_reduced": "Li3Mn3FeO8",
"formula_anonymous": "AB3C3D8",
"energy": -219.93783701,
"energy_per_atom": -7.331261233666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -194.42583701,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 32.0016517,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:42.355000Z",
"spacegroup": 186
},
{
"id": "mp-19843",
"created_at": "2022-09-04T14:39:07.722184Z",
"structure_string": "Ce2 Al2 O6\n1.0\n-2.685176 2.700341 3.778311\n2.685176 -2.700341 3.778311\n2.685176 2.700341 -3.778311\nCe Al O\n2 2 6\ndirect\n0.248160 0.750000 0.498160 Ce\n0.751840 0.250000 0.501840 Ce\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.000000 Al\n0.221383 0.221383 0.500000 O\n0.778617 0.278617 0.000000 O\n0.778618 0.778618 0.500000 O\n0.221383 0.721382 0.000000 O\n0.304818 0.250000 0.054818 O\n0.695182 0.750000 0.945182 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Ce",
"Al",
"O"
],
"chemical_system": "Al-Ce-O",
"density": 6.518712661989089,
"density_atomic": 0.0912537958528827,
"volume": 109.58448255809297,
"volume_molar": 6.5993317907660085,
"formula_full": "Ce2 Al2 O6",
"formula_reduced": "CeAlO3",
"formula_anonymous": "ABC3",
"energy": -85.25620271,
"energy_per_atom": -8.525620271,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -81.13420270999998,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.00015,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:25.608000Z",
"spacegroup": 74
},
{
"id": "mp-567969",
"created_at": "2022-09-04T14:39:07.725787Z",
"structure_string": "Ho1 B2 Rh2 C1\n1.0\n-1.903097 1.903097 5.139751\n1.903097 -1.903097 5.139751\n1.903097 1.903097 -5.139751\nHo B Rh C\n1 2 2 1\ndirect\n0.000000 0.000000 0.000000 Ho\n0.645212 0.645212 0.000000 B\n0.354788 0.354788 0.000000 B\n0.250000 0.750000 0.500000 Rh\n0.750000 0.250000 0.500000 Rh\n0.500000 0.500000 0.000000 C\n",
"nsites": 6,
"nelements": 4,
"elements": [
"Ho",
"B",
"Rh",
"C"
],
"chemical_system": "B-C-Ho-Rh",
"density": 9.017962450622596,
"density_atomic": 0.08058001243226948,
"volume": 74.4601523242904,
"volume_molar": 7.473491971798634,
"formula_full": "Ho1 B2 Rh2 C1",
"formula_reduced": "HoB2Rh2C",
"formula_anonymous": "ABC2D2",
"energy": -45.39678505,
"energy_per_atom": -7.566130841666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -45.39678505,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0060677,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:38.757000Z",
"spacegroup": 139
},
{
"id": "mp-1079242",
"created_at": "2022-09-04T14:39:07.727949Z",
"structure_string": "Dy3 Cd3 Ga3\n1.0\n3.632426 -6.291546 0.000000\n3.632426 6.291546 0.000000\n0.000000 0.000000 4.397992\nDy Cd Ga\n3 3 3\ndirect\n0.422659 0.422659 0.500000 Dy\n0.577341 0.000000 0.500000 Dy\n0.000000 0.577341 0.500000 Dy\n0.752506 0.752506 0.000000 Cd\n0.247494 0.000000 0.000000 Cd\n0.000000 0.247494 0.000000 Cd\n0.666667 0.333333 0.000000 Ga\n0.333333 0.666667 0.000000 Ga\n0.000000 0.000000 0.500000 Ga\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Dy",
"Cd",
"Ga"
],
"chemical_system": "Cd-Dy-Ga",
"density": 8.540629660450582,
"density_atomic": 0.04477173524263873,
"volume": 201.01968242295814,
"volume_molar": 13.45076470090613,
"formula_full": "Dy3 Cd3 Ga3",
"formula_reduced": "DyCdGa",
"formula_anonymous": "ABC",
"energy": -30.28999064,
"energy_per_atom": -3.3655545155555555,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -30.28999064,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003875,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:27.877000Z",
"spacegroup": 189
},
{
"id": "mp-1046228",
"created_at": "2022-09-04T14:39:07.739991Z",
"structure_string": "Mg1 Sn4 O8\n1.0\n1.612708 7.906606 0.000000\n-1.612708 7.906606 0.000000\n0.000000 6.018143 7.762855\nMg Sn O\n1 4 8\ndirect\n0.690353 0.690353 0.798638 Mg\n0.370424 0.370424 0.429488 Sn\n0.898523 0.898523 0.789942 Sn\n0.148825 0.148825 0.157550 Sn\n0.665569 0.665569 0.490574 Sn\n0.135616 0.135616 0.395011 O\n0.533704 0.533704 0.265235 O\n0.512562 0.512562 0.719068 O\n0.855384 0.855384 0.581473 O\n0.835923 0.835923 0.326675 O\n0.171315 0.171315 0.929846 O\n0.195533 0.195533 0.613377 O\n0.748661 0.748661 0.094330 O\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Mg",
"Sn",
"O"
],
"chemical_system": "Mg-O-Sn",
"density": 5.260371665052036,
"density_atomic": 0.06566682891026336,
"volume": 197.96905402216206,
"volume_molar": 9.170750072657723,
"formula_full": "Mg1 Sn4 O8",
"formula_reduced": "Mg(SnO2)4",
"formula_anonymous": "AB4C8",
"energy": -83.59759885,
"energy_per_atom": -6.430584526923076,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -78.10159885,
"band_gap": 0.3079,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0014852,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:27.918000Z",
"spacegroup": 8
},
{
"id": "mp-1029739",
"created_at": "2022-09-04T14:39:07.740484Z",
"structure_string": "Li12 Fe2 N8\n1.0\n6.477045 0.000000 0.000000\n0.000000 6.477045 0.000000\n0.000000 0.000000 4.900533\nLi Fe N\n12 2 8\ndirect\n0.000000 0.500000 0.611738 Li\n0.500000 0.000000 0.888262 Li\n0.500000 0.000000 0.388262 Li\n0.000000 0.500000 0.111738 Li\n0.215181 0.215181 0.500000 Li\n0.784819 0.784819 0.500000 Li\n0.715181 0.715181 0.000000 Li\n0.284819 0.284819 0.000000 Li\n0.784819 0.215181 0.500000 Li\n0.215181 0.784819 0.500000 Li\n0.284819 0.715181 0.000000 Li\n0.715181 0.284819 0.000000 Li\n0.500000 0.500000 0.500000 Fe\n0.000000 0.000000 0.000000 Fe\n0.265508 0.500000 0.314606 N\n0.734492 0.500000 0.314606 N\n0.765508 0.000000 0.185394 N\n0.234492 0.000000 0.185394 N\n0.500000 0.265508 0.685394 N\n0.500000 0.734492 0.685394 N\n0.000000 0.765508 0.814606 N\n0.000000 0.234492 0.814606 N\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Li",
"Fe",
"N"
],
"chemical_system": "Fe-Li-N",
"density": 2.4799372066516057,
"density_atomic": 0.10701028827625236,
"volume": 205.5877089425823,
"volume_molar": 5.627627826264279,
"formula_full": "Li12 Fe2 N8",
"formula_reduced": "Li6FeN4",
"formula_anonymous": "AB4C6",
"energy": -118.56650258,
"energy_per_atom": -5.389386480909091,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -115.67850258,
"band_gap": 1.2400999999999998,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.9973055,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:25.754000Z",
"spacegroup": 137
},
{
"id": "mp-975641",
"created_at": "2022-09-04T14:39:07.752645Z",
"structure_string": "Pr3 Cd1\n1.0\n-2.481509 2.481509 5.124035\n2.481509 -2.481509 5.124035\n2.481509 2.481509 -5.124035\nPr Cd\n3 1\ndirect\n0.750000 0.250000 0.500000 Pr\n0.250000 0.750000 0.500000 Pr\n0.500000 0.500000 0.000000 Pr\n0.000000 0.000000 0.000000 Cd\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Pr",
"Cd"
],
"chemical_system": "Cd-Pr",
"density": 7.040569885019982,
"density_atomic": 0.031692478410580864,
"volume": 126.21291235666057,
"volume_molar": 19.00179809853383,
"formula_full": "Pr3 Cd1",
"formula_reduced": "Pr3Cd",
"formula_anonymous": "AB3",
"energy": -15.67561865,
"energy_per_atom": -3.9189046625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.67561865,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0202848,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:45.486000Z",
"spacegroup": 139
},
{
"id": "mp-1211287",
"created_at": "2022-09-04T14:39:07.708278Z",
"structure_string": "Li4 Er4 F8\n1.0\n-3.214458 3.214458 6.389094\n3.214458 -3.214458 6.389094\n3.214458 3.214458 -6.389094\nLi Er F\n4 4 8\ndirect\n0.375000 0.125000 0.250000 Li\n0.875000 0.125000 0.750000 Li\n0.875000 0.125000 0.250000 Li\n0.875000 0.625000 0.750000 Li\n0.875000 0.625000 0.250000 Er\n0.375000 0.625000 0.750000 Er\n0.375000 0.625000 0.250000 Er\n0.375000 0.125000 0.750000 Er\n0.192419 0.456587 0.264168 F\n0.192419 0.928251 0.735832 F\n0.206587 0.442419 0.764168 F\n0.557581 0.793413 0.235832 F\n0.678251 0.442419 0.235832 F\n0.557581 0.321749 0.764168 F\n0.543413 0.807581 0.735832 F\n0.071749 0.807581 0.264168 F\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Li",
"Er",
"F"
],
"chemical_system": "Er-F-Li",
"density": 5.3374417916241095,
"density_atomic": 0.06059059290078901,
"volume": 264.06739452440064,
"volume_molar": 9.939068874702462,
"formula_full": "Li4 Er4 F8",
"formula_reduced": "LiErF2",
"formula_anonymous": "ABC2",
"energy": -81.99561039,
"energy_per_atom": -5.124725649375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -78.29961039,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 4.74e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:25.804000Z",
"spacegroup": 141
},
{
"id": "mp-1100732",
"created_at": "2022-09-04T14:39:07.740949Z",
"structure_string": "Li9 Mn2 Co5 O16\n1.0\n2.900659 0.000000 0.000000\n0.000000 5.162968 0.000000\n0.000000 1.837594 19.437885\nLi Mn Co O\n9 2 5 16\ndirect\n0.500000 0.117119 0.122206 Li\n0.500000 0.369808 0.372396 Li\n0.500000 0.630192 0.627604 Li\n0.500000 0.882881 0.877794 Li\n0.000000 0.612891 0.119264 Li\n0.000000 0.878936 0.372028 Li\n0.000000 0.121064 0.627972 Li\n0.000000 0.387109 0.880736 Li\n0.500000 0.500000 0.000000 Li\n0.000000 0.000000 0.000000 Mn\n0.000000 0.500000 0.500000 Mn\n0.000000 0.248392 0.248998 Co\n0.000000 0.751608 0.751002 Co\n0.500000 0.747313 0.249525 Co\n0.500000 0.000000 0.500000 Co\n0.500000 0.252687 0.750475 Co\n0.500000 0.829932 0.055418 O\n0.500000 0.067803 0.307214 O\n0.500000 0.326815 0.555860 O\n0.500000 0.569656 0.807060 O\n0.000000 0.281372 0.057971 O\n0.000000 0.564902 0.309038 O\n0.000000 0.832992 0.558323 O\n0.000000 0.070347 0.806827 O\n0.500000 0.430344 0.192940 O\n0.500000 0.673185 0.444140 O\n0.500000 0.932197 0.692786 O\n0.500000 0.170068 0.944582 O\n0.000000 0.929653 0.193173 O\n0.000000 0.167008 0.441677 O\n0.000000 0.435098 0.690962 O\n0.000000 0.718628 0.942029 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.124232656019035,
"density_atomic": 0.10992712260739144,
"volume": 291.10195228423396,
"volume_molar": 5.478302913020189,
"formula_full": "Li9 Mn2 Co5 O16",
"formula_reduced": "Li9Mn2Co5O16",
"formula_anonymous": "A2B5C9D16",
"energy": -207.57953998,
"energy_per_atom": -6.486860624375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -185.06153998,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 9.9991956,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:32.335000Z",
"spacegroup": 10
},
{
"id": "mp-1212407",
"created_at": "2022-09-04T14:39:07.786181Z",
"structure_string": "Hf6 Bi6\n1.0\n1.921971 -5.439362 0.000000\n1.921971 5.439362 0.000000\n0.000000 0.000000 14.352011\nHf Bi\n6 6\ndirect\n0.599098 0.400902 0.250000 Hf\n0.400902 0.599098 0.750000 Hf\n0.930616 0.069384 0.110557 Hf\n0.069384 0.930616 0.889443 Hf\n0.069384 0.930616 0.610557 Hf\n0.930616 0.069384 0.389443 Hf\n0.315587 0.684413 0.250000 Bi\n0.684413 0.315587 0.750000 Bi\n0.642042 0.357958 0.049874 Bi\n0.357958 0.642042 0.950126 Bi\n0.357958 0.642042 0.549874 Bi\n0.642042 0.357958 0.450126 Bi\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Hf",
"Bi"
],
"chemical_system": "Bi-Hf",
"density": 12.86474941743433,
"density_atomic": 0.03998929046486682,
"volume": 300.0803430244099,
"volume_molar": 15.059383875017337,
"formula_full": "Hf6 Bi6",
"formula_reduced": "HfBi",
"formula_anonymous": "AB",
"energy": -85.16079193,
"energy_per_atom": -7.096732660833333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -85.16079193,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0011888,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:25.798000Z",
"spacegroup": 63
}
]
}