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=12116",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=spacegroup&page=12114",
"results": [
{
"id": "mp-1211592",
"created_at": "2022-09-04T14:46:30.610385Z",
"structure_string": "La8 Pt2\n1.0\n-5.762618 -5.762618 0.000000\n-5.762618 0.000000 -5.762618\n0.000000 -5.762618 -5.762618\nLa Pt\n8 2\ndirect\n0.611434 0.611434 0.611434 La\n0.165697 0.611434 0.611434 La\n0.611434 0.165697 0.611434 La\n0.584303 0.138566 0.138566 La\n0.138566 0.138566 0.138566 La\n0.611434 0.611434 0.165697 La\n0.138566 0.584303 0.138566 La\n0.138566 0.138566 0.584303 La\n0.000000 0.000000 0.000000 Pt\n0.750000 0.750000 0.750000 Pt\n",
"nsites": 10,
"nelements": 2,
"elements": [
"La",
"Pt"
],
"chemical_system": "La-Pt",
"density": 6.514174987554246,
"density_atomic": 0.026128261259842352,
"volume": 382.7273426483005,
"volume_molar": 23.04837930128817,
"formula_full": "La8 Pt2",
"formula_reduced": "La4Pt",
"formula_anonymous": "AB4",
"energy": -52.91522149000001,
"energy_per_atom": -5.291522149,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -52.91522149000001,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.4728653,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:30.094000Z",
"spacegroup": 227
},
{
"id": "mp-642779",
"created_at": "2022-09-04T14:46:30.981351Z",
"structure_string": "Y4 V4 O14\n1.0\n0.000000 5.079059 5.079059\n5.079059 0.000000 5.079059\n5.079059 5.079059 0.000000\nY V O\n4 4 14\ndirect\n0.625000 0.625000 0.625000 Y\n0.625000 0.125000 0.625000 Y\n0.125000 0.625000 0.625000 Y\n0.625000 0.625000 0.125000 Y\n0.125000 0.625000 0.125000 V\n0.625000 0.125000 0.125000 V\n0.125000 0.125000 0.625000 V\n0.125000 0.125000 0.125000 V\n0.240391 0.240391 0.759609 O\n0.240391 0.759609 0.759609 O\n0.759609 0.240391 0.759609 O\n0.759609 0.759609 0.240391 O\n0.000000 0.000000 0.000000 O\n0.490391 0.009609 0.490391 O\n0.009609 0.490391 0.490391 O\n0.009609 0.490391 0.009609 O\n0.250000 0.250000 0.250000 O\n0.490391 0.009609 0.009609 O\n0.759609 0.240391 0.240391 O\n0.240391 0.759609 0.240391 O\n0.009609 0.009609 0.490391 O\n0.490391 0.490391 0.009609 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Y",
"V",
"O"
],
"chemical_system": "O-V-Y",
"density": 4.964121042229049,
"density_atomic": 0.08395429361688221,
"volume": 262.0473480533944,
"volume_molar": 7.1731182534647875,
"formula_full": "Y4 V4 O14",
"formula_reduced": "Y2V2O7",
"formula_anonymous": "A2B2C7",
"energy": -187.7739056,
"energy_per_atom": -8.535177527272728,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -171.3559056,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.0020534,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:43.269000Z",
"spacegroup": 227
},
{
"id": "mp-1402005",
"created_at": "2022-09-04T14:46:30.965785Z",
"structure_string": "Ca2 Co4 O8\n1.0\n0.000000 4.239199 4.239199\n4.239199 0.000000 4.239199\n4.239199 4.239199 0.000000\nCa Co O\n2 4 8\ndirect\n0.250000 0.250000 0.250000 Ca\n0.000000 0.000000 0.000000 Ca\n0.625000 0.625000 0.625000 Co\n0.125000 0.625000 0.625000 Co\n0.625000 0.625000 0.125000 Co\n0.625000 0.125000 0.625000 Co\n0.396221 0.811336 0.396221 O\n0.853779 0.853779 0.438664 O\n0.853779 0.853779 0.853779 O\n0.438664 0.853779 0.853779 O\n0.396221 0.396221 0.396221 O\n0.811336 0.396221 0.396221 O\n0.853779 0.438664 0.853779 O\n0.396221 0.396221 0.811336 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Ca",
"Co",
"O"
],
"chemical_system": "Ca-Co-O",
"density": 4.837680261781055,
"density_atomic": 0.09188542487553113,
"volume": 152.36366397570163,
"volume_molar": 6.55396736550726,
"formula_full": "Ca2 Co4 O8",
"formula_reduced": "Ca(CoO2)2",
"formula_anonymous": "AB2C4",
"energy": -97.74228902,
"energy_per_atom": -6.981592072857143,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -85.69428902,
"band_gap": 2.2920000000000003,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.54e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:27.944000Z",
"spacegroup": 227
},
{
"id": "mp-770107",
"created_at": "2022-09-04T14:46:31.307134Z",
"structure_string": "Fe4 Cu2 O8\n1.0\n-3.019676 3.019925 4.214146\n3.019838 -3.019753 4.214138\n3.019906 3.019983 -4.214022\nFe Cu O\n4 2 8\ndirect\n0.874976 0.624990 0.249980 Fe\n0.375002 0.125025 0.750011 Fe\n0.375012 0.624991 0.249985 Fe\n0.375008 0.624996 0.750023 Fe\n0.000005 0.999999 0.999999 Cu\n0.749987 0.250006 0.500001 Cu\n0.611137 0.383324 0.227804 O\n0.616674 0.844463 0.227793 O\n0.616670 0.388865 0.772194 O\n0.133314 0.405473 0.272169 O\n0.138843 0.866687 0.272154 O\n0.155534 0.383331 0.772209 O\n0.594531 0.866693 0.727839 O\n0.133308 0.861156 0.727839 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Fe",
"Cu",
"O"
],
"chemical_system": "Cu-Fe-O",
"density": 5.168246862266716,
"density_atomic": 0.09106888442270641,
"volume": 153.72978475301656,
"volume_molar": 6.612731448479769,
"formula_full": "Fe4 Cu2 O8",
"formula_reduced": "Fe2CuO4",
"formula_anonymous": "AB2C4",
"energy": -101.36342529,
"energy_per_atom": -7.240244663571429,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -86.84342529,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 17.9975658,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:32.581000Z",
"spacegroup": 227
},
{
"id": "mp-568621",
"created_at": "2022-09-04T14:46:32.272937Z",
"structure_string": "Mg16 B2 Rh8\n1.0\n0.000000 6.120153 6.120153\n6.120153 0.000000 6.120153\n6.120153 6.120153 0.000000\nMg B Rh\n16 2 8\ndirect\n0.949379 0.949379 0.550621 Mg\n0.300621 0.699379 0.300621 Mg\n0.699379 0.300621 0.699379 Mg\n0.300621 0.300621 0.699379 Mg\n0.699379 0.300621 0.300621 Mg\n0.699379 0.699379 0.300621 Mg\n0.125000 0.125000 0.625000 Mg\n0.949379 0.550621 0.550621 Mg\n0.550621 0.949379 0.949379 Mg\n0.550621 0.949379 0.550621 Mg\n0.125000 0.625000 0.125000 Mg\n0.550621 0.550621 0.949379 Mg\n0.949379 0.550621 0.949379 Mg\n0.125000 0.125000 0.125000 Mg\n0.625000 0.125000 0.125000 Mg\n0.300621 0.699379 0.699379 Mg\n0.250000 0.250000 0.250000 B\n0.000000 0.000000 0.000000 B\n0.904209 0.904209 0.904209 Rh\n0.904209 0.287374 0.904209 Rh\n0.287374 0.904209 0.904209 Rh\n0.345791 0.345791 0.962626 Rh\n0.962626 0.345791 0.345791 Rh\n0.904209 0.904209 0.287374 Rh\n0.345791 0.962626 0.345791 Rh\n0.345791 0.345791 0.345791 Rh\n",
"nsites": 26,
"nelements": 3,
"elements": [
"Mg",
"B",
"Rh"
],
"chemical_system": "B-Mg-Rh",
"density": 4.468461509078224,
"density_atomic": 0.056709590883202286,
"volume": 458.4762399987857,
"volume_molar": 10.619263278416266,
"formula_full": "Mg16 B2 Rh8",
"formula_reduced": "Mg8BRh4",
"formula_anonymous": "AB4C8",
"energy": -109.20287535,
"energy_per_atom": -4.200110590384615,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -109.20287535,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003571,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:34.952000Z",
"spacegroup": 227
},
{
"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
}
]
}