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=-spacegroup&page=76",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-spacegroup&page=74",
"results": [
{
"id": "mp-560842",
"created_at": "2022-09-04T14:46:32.631739Z",
"structure_string": "Cd4 Si2 O8\n1.0\n0.000000 4.409253 4.409253\n4.409253 0.000000 4.409253\n4.409253 4.409253 0.000000\nCd Si O\n4 2 8\ndirect\n0.625000 0.625000 0.125000 Cd\n0.625000 0.125000 0.625000 Cd\n0.625000 0.625000 0.625000 Cd\n0.125000 0.625000 0.625000 Cd\n0.000000 0.000000 0.000000 Si\n0.250000 0.250000 0.250000 Si\n0.890124 0.890124 0.329629 O\n0.920371 0.359876 0.359876 O\n0.359876 0.359876 0.920371 O\n0.890124 0.890124 0.890124 O\n0.359876 0.920371 0.359876 O\n0.329629 0.890124 0.890124 O\n0.359876 0.359876 0.359876 O\n0.890124 0.329629 0.890124 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Cd",
"Si",
"O"
],
"chemical_system": "Cd-O-Si",
"density": 6.138796949959464,
"density_atomic": 0.08165879798003603,
"volume": 171.44509037988442,
"volume_molar": 7.374760477704185,
"formula_full": "Cd4 Si2 O8",
"formula_reduced": "Cd2SiO4",
"formula_anonymous": "AB2C4",
"energy": -83.4057005,
"energy_per_atom": -5.957550035714285,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -77.9097005,
"band_gap": 1.0232,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0002349,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:35.356000Z",
"spacegroup": 227
},
{
"id": "mp-1728",
"created_at": "2022-09-04T14:47:11.353049Z",
"structure_string": "Lu2 Rh4\n1.0\n0.000000 3.744909 3.744909\n3.744909 0.000000 3.744909\n3.744909 3.744909 0.000000\nLu Rh\n2 4\ndirect\n0.500000 0.500000 0.500000 Lu\n0.750000 0.750000 0.750000 Lu\n0.125000 0.125000 0.125000 Rh\n0.625000 0.125000 0.125000 Rh\n0.125000 0.625000 0.125000 Rh\n0.125000 0.125000 0.625000 Rh\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Lu",
"Rh"
],
"chemical_system": "Lu-Rh",
"density": 12.039186412457042,
"density_atomic": 0.057121216485787586,
"volume": 105.03977977242255,
"volume_molar": 10.542738986482156,
"formula_full": "Lu2 Rh4",
"formula_reduced": "LuRh2",
"formula_anonymous": "AB2",
"energy": -43.10735067,
"energy_per_atom": -7.184558445,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -43.10735067,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0054398,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:00.703000Z",
"spacegroup": 227
},
{
"id": "mp-2389",
"created_at": "2022-09-04T14:46:34.975654Z",
"structure_string": "Nd2 Mg4\n1.0\n0.000000 4.340451 4.340451\n4.340451 0.000000 4.340451\n4.340451 4.340451 0.000000\nNd Mg\n2 4\ndirect\n0.500000 0.500000 0.500000 Nd\n0.750000 0.750000 0.750000 Nd\n0.125000 0.125000 0.125000 Mg\n0.625000 0.125000 0.125000 Mg\n0.125000 0.625000 0.125000 Mg\n0.125000 0.125000 0.625000 Mg\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Nd",
"Mg"
],
"chemical_system": "Mg-Nd",
"density": 3.9162343403045696,
"density_atomic": 0.03668737859282252,
"volume": 163.5439824303455,
"volume_molar": 16.41474804410846,
"formula_full": "Nd2 Mg4",
"formula_reduced": "NdMg2",
"formula_anonymous": "AB2",
"energy": -16.54125015,
"energy_per_atom": -2.756875025,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -16.54125015,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0022484,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:39.461000Z",
"spacegroup": 227
},
{
"id": "mp-22460",
"created_at": "2022-09-04T14:46:35.167920Z",
"structure_string": "Li2 In2\n1.0\n0.000000 3.449814 3.449814\n3.449814 0.000000 3.449814\n3.449814 3.449814 0.000000\nLi In\n2 2\ndirect\n0.500000 0.500000 0.500000 Li\n0.750000 0.750000 0.750000 Li\n0.000000 0.000000 0.000000 In\n0.250000 0.250000 0.250000 In\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Li",
"In"
],
"chemical_system": "In-Li",
"density": 4.9245111958772325,
"density_atomic": 0.04871278444470986,
"volume": 82.11396752612433,
"volume_molar": 12.362546770109741,
"formula_full": "Li2 In2",
"formula_reduced": "LiIn",
"formula_anonymous": "AB",
"energy": -10.34093723,
"energy_per_atom": -2.5852343075,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -10.34093723,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002481,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:33.070000Z",
"spacegroup": 227
},
{
"id": "mp-697076",
"created_at": "2022-09-04T14:46:35.322800Z",
"structure_string": "Ti12 Zn12 C4\n1.0\n0.000000 5.789187 5.789187\n5.789187 0.000000 5.789187\n5.789187 5.789187 0.000000\nTi Zn C\n12 12 4\ndirect\n0.932947 0.932947 0.567053 Ti\n0.567053 0.932947 0.567053 Ti\n0.932947 0.567053 0.567053 Ti\n0.567053 0.567053 0.932947 Ti\n0.932947 0.567053 0.932947 Ti\n0.567053 0.932947 0.932947 Ti\n0.317053 0.317053 0.682947 Ti\n0.682947 0.317053 0.682947 Ti\n0.317053 0.682947 0.682947 Ti\n0.682947 0.682947 0.317053 Ti\n0.317053 0.682947 0.317053 Ti\n0.682947 0.317053 0.317053 Ti\n0.334974 0.334974 0.995077 Zn\n0.334974 0.995077 0.334974 Zn\n0.995077 0.334974 0.334974 Zn\n0.334974 0.334974 0.334974 Zn\n0.915026 0.915026 0.254923 Zn\n0.915026 0.254923 0.915026 Zn\n0.254923 0.915026 0.915026 Zn\n0.915026 0.915026 0.915026 Zn\n0.125000 0.125000 0.625000 Zn\n0.125000 0.625000 0.125000 Zn\n0.625000 0.125000 0.125000 Zn\n0.125000 0.125000 0.125000 Zn\n0.625000 0.625000 0.125000 C\n0.625000 0.125000 0.625000 C\n0.125000 0.625000 0.625000 C\n0.625000 0.625000 0.625000 C\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Ti",
"Zn",
"C"
],
"chemical_system": "C-Ti-Zn",
"density": 6.022405109665112,
"density_atomic": 0.07215647371274375,
"volume": 388.04557040118834,
"volume_molar": 8.345946593751593,
"formula_full": "Ti12 Zn12 C4",
"formula_reduced": "Ti3Zn3C",
"formula_anonymous": "AB3C3",
"energy": -159.15625033,
"energy_per_atom": -5.6841517975,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -159.15625033,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 2.1466494,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:31.085000Z",
"spacegroup": 227
},
{
"id": "mp-833",
"created_at": "2022-09-04T14:46:35.416368Z",
"structure_string": "Ca2 Pd4\n1.0\n0.000000 3.877233 3.877233\n3.877233 0.000000 3.877233\n3.877233 3.877233 0.000000\nCa Pd\n2 4\ndirect\n0.750000 0.750000 0.750000 Ca\n0.500000 0.500000 0.500000 Ca\n0.125000 0.625000 0.125000 Pd\n0.125000 0.125000 0.625000 Pd\n0.625000 0.125000 0.125000 Pd\n0.125000 0.125000 0.125000 Pd\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ca",
"Pd"
],
"chemical_system": "Ca-Pd",
"density": 7.205483615440915,
"density_atomic": 0.05147016415326833,
"volume": 116.57238904723802,
"volume_molar": 11.700255592865828,
"formula_full": "Ca2 Pd4",
"formula_reduced": "CaPd2",
"formula_anonymous": "AB2",
"energy": -28.89545698,
"energy_per_atom": -4.8159094966666665,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -28.89545698,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0032012,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:39.311000Z",
"spacegroup": 227
},
{
"id": "mp-2720",
"created_at": "2022-09-04T14:46:35.836867Z",
"structure_string": "Nd2 Pt4\n1.0\n0.000000 3.906315 3.906315\n3.906315 0.000000 3.906315\n3.906315 3.906315 0.000000\nNd Pt\n2 4\ndirect\n0.750000 0.750000 0.750000 Nd\n0.500000 0.500000 0.500000 Nd\n0.125000 0.625000 0.125000 Pt\n0.125000 0.125000 0.625000 Pt\n0.625000 0.125000 0.125000 Pt\n0.125000 0.125000 0.125000 Pt\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Nd",
"Pt"
],
"chemical_system": "Nd-Pt",
"density": 14.887503951384806,
"density_atomic": 0.05032913552774737,
"volume": 119.21524057753963,
"volume_molar": 11.965515991586791,
"formula_full": "Nd2 Pt4",
"formula_reduced": "NdPt2",
"formula_anonymous": "AB2",
"energy": -40.04877358,
"energy_per_atom": -6.674795596666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -40.04877358,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0012099,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:33.245000Z",
"spacegroup": 227
},
{
"id": "mp-1077399",
"created_at": "2022-09-04T14:46:36.400113Z",
"structure_string": "Na2 As4\n1.0\n0.000000 4.077042 4.077042\n4.077042 0.000000 4.077042\n4.077042 4.077042 0.000000\nNa As\n2 4\ndirect\n0.500000 0.500000 0.500000 Na\n0.750000 0.750000 0.750000 Na\n0.625000 0.125000 0.125000 As\n0.125000 0.625000 0.125000 As\n0.125000 0.125000 0.625000 As\n0.125000 0.125000 0.125000 As\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Na",
"As"
],
"chemical_system": "As-Na",
"density": 4.234870481492708,
"density_atomic": 0.04426757161259253,
"volume": 135.53939783525908,
"volume_molar": 13.60395553815949,
"formula_full": "Na2 As4",
"formula_reduced": "NaAs2",
"formula_anonymous": "AB2",
"energy": -21.64993719,
"energy_per_atom": -3.608322865,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -21.64993719,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0019805,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:43.549000Z",
"spacegroup": 227
},
{
"id": "mp-14304",
"created_at": "2022-09-04T14:46:36.511574Z",
"structure_string": "Lu4 Mg2 S8\n1.0\n0.000000 5.497154 5.497154\n5.497154 0.000000 5.497154\n5.497154 5.497154 0.000000\nLu Mg S\n4 2 8\ndirect\n0.125000 0.625000 0.125000 Lu\n0.125000 0.125000 0.125000 Lu\n0.625000 0.125000 0.125000 Lu\n0.125000 0.125000 0.625000 Lu\n0.750000 0.750000 0.750000 Mg\n0.500000 0.500000 0.500000 Mg\n0.369040 0.369040 0.892879 S\n0.880960 0.357121 0.880960 S\n0.880960 0.880960 0.357121 S\n0.369040 0.369040 0.369040 S\n0.369040 0.892879 0.369040 S\n0.357121 0.880960 0.880960 S\n0.880960 0.880960 0.880960 S\n0.892879 0.369040 0.369040 S\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Lu",
"Mg",
"S"
],
"chemical_system": "Lu-Mg-S",
"density": 5.023085705065611,
"density_atomic": 0.04213901007391424,
"volume": 332.2337182445244,
"volume_molar": 14.291130117762187,
"formula_full": "Lu4 Mg2 S8",
"formula_reduced": "Lu2MgS4",
"formula_anonymous": "AB2C4",
"energy": -84.9332641,
"energy_per_atom": -6.066661721428572,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -80.9092641,
"band_gap": 2.1019,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:42.661000Z",
"spacegroup": 227
},
{
"id": "mp-1193073",
"created_at": "2022-09-04T14:46:36.769669Z",
"structure_string": "Ta16 Fe8 N4\n1.0\n0.000000 5.810561 5.810561\n5.810561 0.000000 5.810561\n5.810561 5.810561 0.000000\nTa Fe N\n16 8 4\ndirect\n0.125000 0.625000 0.625000 Ta\n0.625000 0.125000 0.625000 Ta\n0.625000 0.625000 0.125000 Ta\n0.625000 0.625000 0.625000 Ta\n0.811662 0.811662 0.188338 Ta\n0.188338 0.188338 0.811662 Ta\n0.811662 0.188338 0.811662 Ta\n0.188338 0.811662 0.188338 Ta\n0.188338 0.811662 0.811662 Ta\n0.811662 0.188338 0.188338 Ta\n0.438338 0.438338 0.061662 Ta\n0.061662 0.061662 0.438338 Ta\n0.438338 0.061662 0.438338 Ta\n0.061662 0.438338 0.061662 Ta\n0.061662 0.438338 0.438338 Ta\n0.438338 0.061662 0.061662 Ta\n0.764357 0.411881 0.411881 Fe\n0.411881 0.764357 0.411881 Fe\n0.411881 0.411881 0.764357 Fe\n0.411881 0.411881 0.411881 Fe\n0.485643 0.838119 0.838119 Fe\n0.838119 0.485643 0.838119 Fe\n0.838119 0.838119 0.485643 Fe\n0.838119 0.838119 0.838119 Fe\n0.625000 0.125000 0.125000 N\n0.125000 0.625000 0.125000 N\n0.125000 0.125000 0.625000 N\n0.125000 0.125000 0.125000 N\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Ta",
"Fe",
"N"
],
"chemical_system": "Fe-N-Ta",
"density": 14.380773942148075,
"density_atomic": 0.07136312197842927,
"volume": 392.35951600412716,
"volume_molar": 8.438729406794025,
"formula_full": "Ta16 Fe8 N4",
"formula_reduced": "Ta4Fe2N",
"formula_anonymous": "AB2C4",
"energy": -306.2793335,
"energy_per_atom": -10.938547625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -304.8353335,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.8818047,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:43.286000Z",
"spacegroup": 227
},
{
"id": "mp-1232313",
"created_at": "2022-09-04T14:46:37.357165Z",
"structure_string": "Ba2 Co2 O4\n1.0\n0.000000 4.323924 4.323924\n4.323924 0.000000 4.323924\n4.323924 4.323924 0.000000\nBa Co O\n2 2 4\ndirect\n0.500000 0.500000 0.500000 Ba\n0.750000 0.750000 0.750000 Ba\n0.000000 0.000000 0.000000 Co\n0.250000 0.250000 0.250000 Co\n0.125000 0.125000 0.125000 O\n0.625000 0.125000 0.125000 O\n0.125000 0.125000 0.625000 O\n0.125000 0.625000 0.125000 O\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ba",
"Co",
"O"
],
"chemical_system": "Ba-Co-O",
"density": 4.6885963216240425,
"density_atomic": 0.04947956075141005,
"volume": 161.68292277679564,
"volume_molar": 12.170966493125917,
"formula_full": "Ba2 Co2 O4",
"formula_reduced": "BaCoO2",
"formula_anonymous": "ABC2",
"energy": -48.70074012,
"energy_per_atom": -6.087592515,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -42.67674012,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.9709734,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:37.930000Z",
"spacegroup": 227
},
{
"id": "mp-1215101",
"created_at": "2022-09-04T14:46:38.223073Z",
"structure_string": "Be52 Tc4\n1.0\n-6.760317 -6.760317 0.000000\n-6.760317 0.000000 -6.760317\n0.000000 -6.760317 -6.760317\nBe Tc\n52 4\ndirect\n0.496325 0.496325 0.263907 Be\n0.743443 0.263907 0.496325 Be\n0.263907 0.743443 0.496325 Be\n0.496325 0.263907 0.496325 Be\n0.006557 0.253675 0.486093 Be\n0.253675 0.253675 0.486093 Be\n0.496325 0.496325 0.743443 Be\n0.263907 0.496325 0.743443 Be\n0.253675 0.486093 0.253675 Be\n0.006557 0.486093 0.253675 Be\n0.743443 0.496325 0.263907 Be\n0.253675 0.006557 0.253675 Be\n0.486093 0.006557 0.253675 Be\n0.496325 0.743443 0.496325 Be\n0.486093 0.253675 0.006557 Be\n0.253675 0.253675 0.006557 Be\n0.263907 0.496325 0.496325 Be\n0.496325 0.263907 0.743443 Be\n0.743443 0.496325 0.496325 Be\n0.496325 0.743443 0.263907 Be\n0.253675 0.486093 0.006557 Be\n0.486093 0.253675 0.253675 Be\n0.253675 0.006557 0.486093 Be\n0.006557 0.253675 0.253675 Be\n0.500000 0.500000 0.500000 Be\n0.250000 0.250000 0.250000 Be\n0.000000 0.000000 0.000000 Be\n0.750000 0.750000 0.750000 Be\n0.142256 0.751848 0.751848 Be\n0.354048 0.751848 0.751848 Be\n0.751848 0.354048 0.142256 Be\n0.751848 0.751848 0.142256 Be\n0.395952 0.998152 0.998152 Be\n0.607744 0.998152 0.998152 Be\n0.751848 0.142256 0.354048 Be\n0.751848 0.751848 0.354048 Be\n0.354048 0.142256 0.751848 Be\n0.998152 0.395952 0.607744 Be\n0.142256 0.354048 0.751848 Be\n0.998152 0.607744 0.395952 Be\n0.751848 0.142256 0.751848 Be\n0.395952 0.998152 0.607744 Be\n0.998152 0.998152 0.607744 Be\n0.142256 0.751848 0.354048 Be\n0.998152 0.607744 0.998152 Be\n0.395952 0.607744 0.998152 Be\n0.354048 0.751848 0.142256 Be\n0.998152 0.395952 0.998152 Be\n0.607744 0.395952 0.998152 Be\n0.751848 0.354048 0.751848 Be\n0.607744 0.998152 0.395952 Be\n0.998152 0.998152 0.395952 Be\n0.875000 0.875000 0.875000 Tc\n0.375000 0.875000 0.875000 Tc\n0.875000 0.375000 0.875000 Tc\n0.875000 0.875000 0.375000 Tc\n",
"nsites": 56,
"nelements": 2,
"elements": [
"Be",
"Tc"
],
"chemical_system": "Be-Tc",
"density": 2.3127897152233183,
"density_atomic": 0.09062684230198918,
"volume": 617.9184729110974,
"volume_molar": 6.644985753705135,
"formula_full": "Be52 Tc4",
"formula_reduced": "Be13Tc",
"formula_anonymous": "AB13",
"energy": -195.40116663,
"energy_per_atom": -3.489306546964286,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -195.40116663,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.9681826,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:45.452000Z",
"spacegroup": 227
}
]
}