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=density&page=11531",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=density&page=11529",
"results": [
{
"id": "mp-1185878",
"created_at": "2022-09-04T14:41:23.545714Z",
"structure_string": "Mg2 Hg4\n1.0\n1.756447 5.898415 0.000000\n-1.756447 5.898415 0.000000\n0.000000 2.334882 6.711736\nMg Hg\n2 4\ndirect\n0.029082 0.029082 0.719597 Mg\n0.970918 0.970918 0.280403 Mg\n0.642961 0.642961 0.952528 Hg\n0.357039 0.357039 0.047472 Hg\n0.666571 0.666571 0.381271 Hg\n0.333429 0.333429 0.618729 Hg\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mg",
"Hg"
],
"chemical_system": "Hg-Mg",
"density": 10.160804865754224,
"density_atomic": 0.0431435635739996,
"volume": 139.07057050836409,
"volume_molar": 13.958375852914553,
"formula_full": "Mg2 Hg4",
"formula_reduced": "MgHg2",
"formula_anonymous": "AB2",
"energy": -5.15716726,
"energy_per_atom": -0.8595278766666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.15716726,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0023395,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:20.930000Z",
"spacegroup": 12
},
{
"id": "mp-1218101",
"created_at": "2022-09-04T14:43:19.891836Z",
"structure_string": "Ta8 Ti8 Co8 C4\n1.0\n-4.085769 4.085769 5.751560\n4.085769 -4.085769 5.751560\n4.085769 4.085769 -5.751560\nTa Ti Co C\n8 8 8 4\ndirect\n0.311765 0.311765 0.000000 Ta\n0.688235 0.688235 0.000000 Ta\n0.561486 0.061486 0.122972 Ta\n0.938514 0.438514 0.877028 Ta\n0.938514 0.061486 0.500000 Ta\n0.561486 0.438514 0.500000 Ta\n0.937790 0.437790 0.500000 Ta\n0.562210 0.062210 0.500000 Ta\n0.124149 0.375316 0.251167 Ti\n0.127018 0.875851 0.251167 Ti\n0.624684 0.875851 0.748833 Ti\n0.124149 0.872982 0.748833 Ti\n0.685842 0.685842 0.371684 Ti\n0.314158 0.314158 0.628316 Ti\n0.314158 0.685842 0.000000 Ti\n0.685842 0.314158 0.000000 Ti\n0.915411 0.750009 0.834597 Co\n0.919186 0.084589 0.834597 Co\n0.249991 0.084589 0.165403 Co\n0.915411 0.080814 0.165403 Co\n0.334000 0.001544 0.667543 Co\n0.333543 0.666000 0.667543 Co\n0.998456 0.666000 0.332457 Co\n0.334000 0.666457 0.332457 Co\n0.622406 0.871247 0.248841 C\n0.626434 0.377594 0.248841 C\n0.128753 0.377594 0.751159 C\n0.622406 0.373566 0.751159 C\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Ta",
"Ti",
"Co",
"C"
],
"chemical_system": "C-Co-Ta-Ti",
"density": 10.160820036563894,
"density_atomic": 0.07290625115750297,
"volume": 384.05485888322823,
"volume_molar": 8.260115784845489,
"formula_full": "Ta8 Ti8 Co8 C4",
"formula_reduced": "Ta2Ti2Co2C",
"formula_anonymous": "AB2C2D2",
"energy": -264.48864363,
"energy_per_atom": -9.446022986785716,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -264.48864363,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002824,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:07.581000Z",
"spacegroup": 119
},
{
"id": "mp-567479",
"created_at": "2022-09-04T14:46:04.158207Z",
"structure_string": "Ho16 In4 Ir4\n1.0\n0.000000 6.810843 6.810843\n6.810843 0.000000 6.810843\n6.810843 6.810843 0.000000\nHo In Ir\n16 4 4\ndirect\n0.439886 0.439886 0.060114 Ho\n0.650967 0.650967 0.047100 Ho\n0.191007 0.808993 0.191007 Ho\n0.060114 0.439886 0.060114 Ho\n0.191007 0.808993 0.808993 Ho\n0.060114 0.439886 0.439886 Ho\n0.808993 0.191007 0.191007 Ho\n0.650967 0.650967 0.650967 Ho\n0.808993 0.191007 0.808993 Ho\n0.191007 0.191007 0.808993 Ho\n0.047100 0.650967 0.650967 Ho\n0.439886 0.060114 0.060114 Ho\n0.060114 0.060114 0.439886 Ho\n0.650967 0.047100 0.650967 Ho\n0.808993 0.808993 0.191007 Ho\n0.439886 0.060114 0.439886 Ho\n0.417033 0.417033 0.417033 In\n0.417033 0.417033 0.748902 In\n0.417033 0.748902 0.417033 In\n0.748902 0.417033 0.417033 In\n0.423896 0.858701 0.858701 Ir\n0.858701 0.858701 0.858701 Ir\n0.858701 0.423896 0.858701 Ir\n0.858701 0.858701 0.423896 Ir\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Ho",
"In",
"Ir"
],
"chemical_system": "Ho-In-Ir",
"density": 10.16233453117637,
"density_atomic": 0.037982070735409205,
"volume": 631.8770813521163,
"volume_molar": 15.855219695501729,
"formula_full": "Ho16 In4 Ir4",
"formula_reduced": "Ho4InIr",
"formula_anonymous": "ABC4",
"energy": -133.91023586,
"energy_per_atom": -5.579593160833333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -133.91023586,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.1395081,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:19.031000Z",
"spacegroup": 216
},
{
"id": "mp-1206270",
"created_at": "2022-09-04T14:43:46.076243Z",
"structure_string": "Lu1 In1 Ni4\n1.0\n0.000000 3.499374 3.499374\n3.499374 0.000000 3.499374\n3.499374 3.499374 0.000000\nLu In Ni\n1 1 4\ndirect\n0.250000 0.250000 0.250000 Lu\n0.000000 0.000000 0.000000 In\n0.625589 0.625589 0.625589 Ni\n0.625589 0.625589 0.123233 Ni\n0.625589 0.123233 0.625589 Ni\n0.123233 0.625589 0.625589 Ni\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Lu",
"In",
"Ni"
],
"chemical_system": "In-Lu-Ni",
"density": 10.16347050528495,
"density_atomic": 0.07000840327172489,
"volume": 85.70399722890538,
"volume_molar": 8.602025583451969,
"formula_full": "Lu1 In1 Ni4",
"formula_reduced": "LuInNi4",
"formula_anonymous": "ABC4",
"energy": -32.87252499,
"energy_per_atom": -5.478754165000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.87252499,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0008633,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:18.976000Z",
"spacegroup": 216
},
{
"id": "mp-1197864",
"created_at": "2022-09-04T14:41:59.207991Z",
"structure_string": "Lu6 Ge26 Ir8\n1.0\n9.009443 0.000000 0.000000\n0.000000 9.009443 0.000000\n0.000000 0.000000 9.009443\nLu Ge Ir\n6 26 8\ndirect\n0.000000 0.500000 0.750000 Lu\n0.500000 0.250000 0.000000 Lu\n0.750000 0.000000 0.500000 Lu\n0.000000 0.500000 0.250000 Lu\n0.500000 0.750000 0.000000 Lu\n0.250000 0.000000 0.500000 Lu\n0.500000 0.500000 0.500000 Ge\n0.000000 0.000000 0.000000 Ge\n0.809884 0.354932 0.500000 Ge\n0.645068 0.500000 0.809884 Ge\n0.500000 0.190116 0.645068 Ge\n0.190116 0.645068 0.500000 Ge\n0.354932 0.500000 0.190116 Ge\n0.500000 0.809884 0.354932 Ge\n0.809884 0.645068 0.500000 Ge\n0.645068 0.500000 0.190116 Ge\n0.190116 0.354932 0.500000 Ge\n0.354932 0.500000 0.809884 Ge\n0.500000 0.809884 0.645068 Ge\n0.500000 0.190116 0.354932 Ge\n0.309884 0.000000 0.854932 Ge\n0.145068 0.309884 0.000000 Ge\n0.000000 0.145068 0.690116 Ge\n0.690116 0.000000 0.145068 Ge\n0.854932 0.690116 0.000000 Ge\n0.000000 0.854932 0.309884 Ge\n0.309884 0.000000 0.145068 Ge\n0.145068 0.690116 0.000000 Ge\n0.690116 0.000000 0.854932 Ge\n0.854932 0.309884 0.000000 Ge\n0.000000 0.145068 0.309884 Ge\n0.000000 0.854932 0.690116 Ge\n0.750000 0.250000 0.750000 Ir\n0.250000 0.750000 0.250000 Ir\n0.750000 0.750000 0.250000 Ir\n0.250000 0.250000 0.750000 Ir\n0.250000 0.750000 0.750000 Ir\n0.750000 0.250000 0.250000 Ir\n0.250000 0.250000 0.250000 Ir\n0.750000 0.750000 0.750000 Ir\n",
"nsites": 40,
"nelements": 3,
"elements": [
"Lu",
"Ge",
"Ir"
],
"chemical_system": "Ge-Ir-Lu",
"density": 10.163952339816328,
"density_atomic": 0.05469733481506563,
"volume": 731.2970574387574,
"volume_molar": 11.009934543175005,
"formula_full": "Lu6 Ge26 Ir8",
"formula_reduced": "Lu3Ge13Ir4",
"formula_anonymous": "A3B4C13",
"energy": -237.34052085,
"energy_per_atom": -5.93351302125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -237.34052085,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0079988,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:32.156000Z",
"spacegroup": 223
},
{
"id": "mp-1078911",
"created_at": "2022-09-04T14:42:21.436506Z",
"structure_string": "Tm3 Sn3 Pd3\n1.0\n3.822437 -6.620656 0.000000\n3.822437 6.620656 0.000000\n0.000000 0.000000 3.815950\nTm Sn Pd\n3 3 3\ndirect\n0.000000 0.400559 0.500000 Tm\n0.599441 0.599441 0.500000 Tm\n0.400559 0.000000 0.500000 Tm\n0.000000 0.736074 0.000000 Sn\n0.263926 0.263926 0.000000 Sn\n0.736074 0.000000 0.000000 Sn\n0.333333 0.666667 0.000000 Pd\n0.666667 0.333333 0.000000 Pd\n0.000000 0.000000 0.500000 Pd\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Tm",
"Sn",
"Pd"
],
"chemical_system": "Pd-Sn-Tm",
"density": 10.163968593149265,
"density_atomic": 0.04659812894653629,
"volume": 193.14080207653882,
"volume_molar": 12.923567740046858,
"formula_full": "Tm3 Sn3 Pd3",
"formula_reduced": "TmSnPd",
"formula_anonymous": "ABC",
"energy": -49.30913345,
"energy_per_atom": -5.478792605555555,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -49.30913345,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0008708,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:47.108000Z",
"spacegroup": 189
},
{
"id": "mp-1189949",
"created_at": "2022-09-04T14:39:12.591622Z",
"structure_string": "Lu4 Co14\n1.0\n-2.451979 -4.246953 0.000000\n-4.903959 0.000000 0.000000\n-2.451979 -1.415651 -11.962186\nLu Co\n4 14\ndirect\n0.948140 0.948140 0.155579 Lu\n0.051860 0.051860 0.844421 Lu\n0.851852 0.851852 0.444444 Lu\n0.148148 0.148148 0.555557 Lu\n0.500000 0.500000 0.500000 Co\n0.721892 0.721892 0.834324 Co\n0.278108 0.278108 0.165676 Co\n0.611110 0.611110 0.166671 Co\n0.388890 0.388890 0.833329 Co\n0.000000 0.500000 0.000000 Co\n0.500000 0.000000 0.000000 Co\n0.500000 0.500000 0.000000 Co\n0.388812 0.388812 0.330896 Co\n0.891481 0.388812 0.330896 Co\n0.388812 0.891481 0.330896 Co\n0.611188 0.611188 0.669104 Co\n0.108519 0.611188 0.669104 Co\n0.611188 0.108519 0.669104 Co\n",
"nsites": 18,
"nelements": 2,
"elements": [
"Lu",
"Co"
],
"chemical_system": "Co-Lu",
"density": 10.16400680226731,
"density_atomic": 0.07224996961407391,
"volume": 249.1350528747308,
"volume_molar": 8.335146425898175,
"formula_full": "Lu4 Co14",
"formula_reduced": "Lu2Co7",
"formula_anonymous": "A2B7",
"energy": -121.29494881,
"energy_per_atom": -6.738608267222222,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -121.29494881,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 16.5643798,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:35.665000Z",
"spacegroup": 166
},
{
"id": "mp-1224494",
"created_at": "2022-09-04T14:42:38.115047Z",
"structure_string": "Hf4 Al4 Rh4\n1.0\n2.677902 -4.578603 0.000000\n2.677902 4.578603 0.000000\n0.000000 0.000000 8.217682\nHf Al Rh\n4 4 4\ndirect\n0.334064 0.665936 0.210171 Hf\n0.669674 0.330326 0.320406 Hf\n0.669674 0.330326 0.679594 Hf\n0.334064 0.665936 0.789829 Hf\n0.995505 0.004495 0.256086 Al\n0.995505 0.004495 0.743914 Al\n0.829275 0.654908 0.000000 Al\n0.345092 0.170725 0.000000 Al\n0.830107 0.169893 0.000000 Rh\n0.168702 0.338410 0.500000 Rh\n0.661590 0.831298 0.500000 Rh\n0.166758 0.833242 0.500000 Rh\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Hf",
"Al",
"Rh"
],
"chemical_system": "Al-Hf-Rh",
"density": 10.164455695107812,
"density_atomic": 0.05954896957676054,
"volume": 201.51482192368775,
"volume_molar": 10.112921857089848,
"formula_full": "Hf4 Al4 Rh4",
"formula_reduced": "HfAlRh",
"formula_anonymous": "ABC",
"energy": -93.37127225,
"energy_per_atom": -7.780939354166667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -93.37127225,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003317,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:49.223000Z",
"spacegroup": 38
},
{
"id": "mp-11568",
"created_at": "2022-09-04T14:39:14.061309Z",
"structure_string": "Sm1 Tl1\n1.0\n3.869804 0.000000 0.000000\n0.000000 3.869804 0.000000\n0.000000 0.000000 3.869804\nSm Tl\n1 1\ndirect\n0.000000 0.000000 0.000000 Sm\n0.500000 0.500000 0.500000 Tl\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Sm",
"Tl"
],
"chemical_system": "Sm-Tl",
"density": 10.164742742521625,
"density_atomic": 0.03451144058580261,
"volume": 57.95179702880222,
"volume_molar": 17.44969395011984,
"formula_full": "Sm1 Tl1",
"formula_reduced": "SmTl",
"formula_anonymous": "AB",
"energy": -7.83854428,
"energy_per_atom": -3.91927214,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -7.83854428,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0008587,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:32.432000Z",
"spacegroup": 221
},
{
"id": "mp-1191130",
"created_at": "2022-09-04T14:46:52.907063Z",
"structure_string": "Gd4 Re4 B16\n1.0\n3.631745 0.000000 0.000000\n0.000000 5.994259 0.000000\n0.000000 0.000000 11.606240\nGd Re B\n4 4 16\ndirect\n0.000000 0.626093 0.349366 Gd\n0.000000 0.373907 0.650634 Gd\n0.000000 0.126093 0.150634 Gd\n0.000000 0.873907 0.849366 Gd\n0.000000 0.632335 0.086916 Re\n0.000000 0.367665 0.913084 Re\n0.000000 0.132335 0.413084 Re\n0.000000 0.867665 0.586916 Re\n0.500000 0.786633 0.184331 B\n0.500000 0.213367 0.815669 B\n0.500000 0.286633 0.315669 B\n0.500000 0.713367 0.684331 B\n0.500000 0.862922 0.031512 B\n0.500000 0.137078 0.968488 B\n0.500000 0.362922 0.468488 B\n0.500000 0.637078 0.531512 B\n0.500000 0.886557 0.453057 B\n0.500000 0.113443 0.546943 B\n0.500000 0.386557 0.046943 B\n0.500000 0.613443 0.953057 B\n0.500000 0.977454 0.308662 B\n0.500000 0.022546 0.691338 B\n0.500000 0.477454 0.191338 B\n0.500000 0.522546 0.808662 B\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Gd",
"Re",
"B"
],
"chemical_system": "B-Gd-Re",
"density": 10.16580993704597,
"density_atomic": 0.09498802185893576,
"volume": 252.6634361924262,
"volume_molar": 6.339894906900288,
"formula_full": "Gd4 Re4 B16",
"formula_reduced": "GdReB4",
"formula_anonymous": "ABC4",
"energy": -226.64554629,
"energy_per_atom": -9.44356442875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -226.64554629,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 26.8934304,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:39.156000Z",
"spacegroup": 55
},
{
"id": "mp-568595",
"created_at": "2022-09-04T14:47:23.450401Z",
"structure_string": "Re8 Si14\n1.0\n1.570958 11.703998 0.000000\n-1.570958 11.703998 0.000000\n0.000000 0.380573 8.363616\nRe Si\n8 14\ndirect\n0.748517 0.748517 0.743908 Re\n0.128019 0.128019 0.106883 Re\n0.874555 0.874555 0.874832 Re\n0.497130 0.497130 0.495976 Re\n0.624816 0.624816 0.621390 Re\n0.379144 0.379144 0.355358 Re\n0.248086 0.248086 0.237546 Re\n0.998604 0.998604 0.979984 Re\n0.958866 0.958866 0.274975 Si\n0.579477 0.579477 0.920713 Si\n0.829565 0.829565 0.170807 Si\n0.042173 0.042173 0.689946 Si\n0.304505 0.304505 0.563284 Si\n0.456585 0.456585 0.781083 Si\n0.204279 0.204279 0.522954 Si\n0.709215 0.709215 0.036680 Si\n0.164718 0.164718 0.819634 Si\n0.906567 0.906567 0.576412 Si\n0.294016 0.294016 0.939855 Si\n0.058464 0.058464 0.330177 Si\n0.416510 0.416510 0.069132 Si\n0.659788 0.659788 0.323371 Si\n",
"nsites": 22,
"nelements": 2,
"elements": [
"Re",
"Si"
],
"chemical_system": "Re-Si",
"density": 10.165824750092447,
"density_atomic": 0.07153190436903503,
"volume": 307.5550720207504,
"volume_molar": 8.418817887094985,
"formula_full": "Re8 Si14",
"formula_reduced": "Re4Si7",
"formula_anonymous": "A4B7",
"energy": -181.82528546000003,
"energy_per_atom": -8.264785702727274,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -182.81928546,
"band_gap": 0.0073000000000007,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0017045,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:00.623000Z",
"spacegroup": 8
},
{
"id": "mp-1087502",
"created_at": "2022-09-04T14:44:09.655716Z",
"structure_string": "Ho4 Pd4\n1.0\n4.646872 0.000000 0.000000\n0.000000 5.534973 0.000000\n0.000000 0.000000 6.893172\nHo Pd\n4 4\ndirect\n0.250000 0.356801 0.682887 Ho\n0.250000 0.143199 0.182887 Ho\n0.750000 0.643199 0.317113 Ho\n0.750000 0.856801 0.817113 Ho\n0.250000 0.847299 0.541757 Pd\n0.250000 0.652701 0.041757 Pd\n0.750000 0.152701 0.458243 Pd\n0.750000 0.347299 0.958243 Pd\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ho",
"Pd"
],
"chemical_system": "Ho-Pd",
"density": 10.165859312140352,
"density_atomic": 0.04512265601545808,
"volume": 177.29452799186657,
"volume_molar": 13.346157544309758,
"formula_full": "Ho4 Pd4",
"formula_reduced": "HoPd",
"formula_anonymous": "AB",
"energy": -46.59417784,
"energy_per_atom": -5.82427223,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -46.59417784,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002456,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:29.642000Z",
"spacegroup": 62
}
]
}