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=11552",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=spacegroup&page=11550",
"results": [
{
"id": "mp-977380",
"created_at": "2022-09-04T14:42:27.042768Z",
"structure_string": "Li1 Mg2 Pd1\n1.0\n0.000000 3.244148 3.244148\n3.244148 0.000000 3.244148\n3.244148 3.244148 0.000000\nLi Mg Pd\n1 2 1\ndirect\n0.500000 0.500000 0.500000 Li\n0.250000 0.250000 0.250000 Mg\n0.750000 0.750000 0.750000 Mg\n0.000000 0.000000 0.000000 Pd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Mg",
"Pd"
],
"chemical_system": "Li-Mg-Pd",
"density": 3.938713476452015,
"density_atomic": 0.05857712053812084,
"volume": 68.28604689431394,
"volume_molar": 10.280704658537985,
"formula_full": "Li1 Mg2 Pd1",
"formula_reduced": "LiMg2Pd",
"formula_anonymous": "ABC2",
"energy": -12.18622574,
"energy_per_atom": -3.046556435,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -12.18622574,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0104849,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:48.876000Z",
"spacegroup": 225
},
{
"id": "mp-861909",
"created_at": "2022-09-04T14:42:29.056409Z",
"structure_string": "Cd1 Ga1 Rh2\n1.0\n0.000000 3.141812 3.141812\n3.141812 0.000000 3.141812\n3.141812 3.141812 0.000000\nCd Ga Rh\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Cd\n0.000000 0.000000 0.000000 Ga\n0.250000 0.250000 0.250000 Rh\n0.750000 0.750000 0.750000 Rh\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Cd",
"Ga",
"Rh"
],
"chemical_system": "Cd-Ga-Rh",
"density": 10.38600860953033,
"density_atomic": 0.06448955991470758,
"volume": 62.02554344129978,
"volume_molar": 9.338163832975052,
"formula_full": "Cd1 Ga1 Rh2",
"formula_reduced": "CdGaRh2",
"formula_anonymous": "ABC2",
"energy": -20.14658211,
"energy_per_atom": -5.0366455275,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -20.14658211,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0013156,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:49.157000Z",
"spacegroup": 225
},
{
"id": "mp-864748",
"created_at": "2022-09-04T14:42:29.087234Z",
"structure_string": "Gd2 Mg1 In1\n1.0\n0.000000 3.791693 3.791693\n3.791693 0.000000 3.791693\n3.791693 3.791693 0.000000\nGd Mg In\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Gd\n0.750000 0.750000 0.750000 Gd\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 In\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Gd",
"Mg",
"In"
],
"chemical_system": "Gd-In-Mg",
"density": 6.9089916504611315,
"density_atomic": 0.03668854554828139,
"volume": 109.02585371600738,
"volume_molar": 16.414225938924137,
"formula_full": "Gd2 Mg1 In1",
"formula_reduced": "Gd2MgIn",
"formula_anonymous": "ABC2",
"energy": -33.86373247,
"energy_per_atom": -8.4659331175,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -33.86373247,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 15.0206427,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:52.922000Z",
"spacegroup": 225
},
{
"id": "mp-1187345",
"created_at": "2022-09-04T14:42:27.088254Z",
"structure_string": "Tb1 Er1 Ir2\n1.0\n0.000000 3.422857 3.422857\n3.422857 0.000000 3.422857\n3.422857 3.422857 0.000000\nTb Er Ir\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Tb\n0.500000 0.500000 0.500000 Er\n0.750000 0.750000 0.750000 Ir\n0.250000 0.250000 0.250000 Ir\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Tb",
"Er",
"Ir"
],
"chemical_system": "Er-Ir-Tb",
"density": 14.712594080203807,
"density_atomic": 0.04987279741726275,
"volume": 80.20404322889371,
"volume_molar": 12.07500094613807,
"formula_full": "Tb1 Er1 Ir2",
"formula_reduced": "TbErIr2",
"formula_anonymous": "ABC2",
"energy": -30.27043866,
"energy_per_atom": -7.567609665,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -30.27043866,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000377,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:43.201000Z",
"spacegroup": 225
},
{
"id": "mp-3736",
"created_at": "2022-09-04T14:42:27.237783Z",
"structure_string": "Zr1 Al1 Cu2\n1.0\n0.000000 3.124925 3.124925\n3.124925 0.000000 3.124925\n3.124925 3.124925 0.000000\nZr Al Cu\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Zr\n0.000000 0.000000 0.000000 Al\n0.750000 0.750000 0.750000 Cu\n0.250000 0.250000 0.250000 Cu\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Zr",
"Al",
"Cu"
],
"chemical_system": "Al-Cu-Zr",
"density": 6.674112097098029,
"density_atomic": 0.06554071881850146,
"volume": 61.03076182421792,
"volume_molar": 9.188395959886869,
"formula_full": "Zr1 Al1 Cu2",
"formula_reduced": "ZrAlCu2",
"formula_anonymous": "ABC2",
"energy": -21.90347348,
"energy_per_atom": -5.47586837,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -21.90347348,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.00014,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:51.614000Z",
"spacegroup": 225
},
{
"id": "mp-1114109",
"created_at": "2022-09-04T14:42:27.251964Z",
"structure_string": "Na2 Li1 Ni1 F6\n1.0\n5.472365 0.000000 0.000000\n2.736183 4.739207 0.000000\n2.736183 1.579736 4.468167\nNa Li Ni F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Na\n0.750000 0.750000 0.750000 Na\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Ni\n0.243304 0.756696 0.243304 F\n0.756696 0.756696 0.243304 F\n0.756696 0.243304 0.756696 F\n0.756696 0.243304 0.243304 F\n0.243304 0.756696 0.756696 F\n0.243304 0.243304 0.756696 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Na",
"Li",
"Ni",
"F"
],
"chemical_system": "F-Li-Na-Ni",
"density": 3.2328566672113976,
"density_atomic": 0.08629584156477371,
"volume": 115.88043894900768,
"volume_molar": 6.978483146815107,
"formula_full": "Na2 Li1 Ni1 F6",
"formula_reduced": "Na2LiNiF6",
"formula_anonymous": "ABC2D6",
"energy": -47.43063509000001,
"energy_per_atom": -4.743063509000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -42.11763509,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.0000451,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:45.005000Z",
"spacegroup": 225
},
{
"id": "mp-1113570",
"created_at": "2022-09-04T14:42:27.938111Z",
"structure_string": "Cs2 Ce1 Ag1 Cl6\n1.0\n0.000000 5.526491 5.526491\n5.526491 0.000000 5.526491\n5.526491 5.526491 0.000000\nCs Ce Ag Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.500000 0.500000 0.500000 Ce\n0.000000 0.000000 0.000000 Ag\n0.748976 0.251024 0.251024 Cl\n0.251024 0.251024 0.748976 Cl\n0.251024 0.748976 0.748976 Cl\n0.251024 0.748976 0.251024 Cl\n0.748976 0.251024 0.748976 Cl\n0.748976 0.748976 0.251024 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Cs",
"Ce",
"Ag",
"Cl"
],
"chemical_system": "Ag-Ce-Cl-Cs",
"density": 3.5736675807662936,
"density_atomic": 0.029622492830060545,
"volume": 337.5813121930144,
"volume_molar": 20.329621799718367,
"formula_full": "Cs2 Ce1 Ag1 Cl6",
"formula_reduced": "Cs2CeAgCl6",
"formula_anonymous": "ABC2D6",
"energy": -43.50780739,
"energy_per_atom": -4.350780739,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -39.82380739,
"band_gap": 2.9041,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.9989709,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:49.284000Z",
"spacegroup": 225
},
{
"id": "mp-22790",
"created_at": "2022-09-04T14:42:27.292992Z",
"structure_string": "V1 Ga1 Co2\n1.0\n0.000000 2.877574 2.877574\n2.877574 0.000000 2.877574\n2.877574 2.877574 0.000000\nV Ga Co\n1 1 2\ndirect\n0.500000 0.500000 0.500000 V\n0.000000 0.000000 0.000000 Ga\n0.250000 0.250000 0.250000 Co\n0.750000 0.750000 0.750000 Co\n",
"nsites": 4,
"nelements": 3,
"elements": [
"V",
"Ga",
"Co"
],
"chemical_system": "Co-Ga-V",
"density": 8.311592221775063,
"density_atomic": 0.08393642989643482,
"volume": 47.65511238606896,
"volume_molar": 7.174644868063168,
"formula_full": "V1 Ga1 Co2",
"formula_reduced": "VGaCo2",
"formula_anonymous": "ABC2",
"energy": -27.58801511,
"energy_per_atom": -6.8970037775,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -27.58801511,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9994945,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:51.653000Z",
"spacegroup": 225
},
{
"id": "mp-1112998",
"created_at": "2022-09-04T14:42:27.333331Z",
"structure_string": "Cs2 Li1 Tm1 Cl6\n1.0\n0.000000 5.287351 5.287351\n5.287351 0.000000 5.287351\n5.287351 5.287351 0.000000\nCs Li Tm Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Tm\n0.752602 0.247398 0.247398 Cl\n0.247398 0.247398 0.752602 Cl\n0.247398 0.752602 0.752602 Cl\n0.247398 0.752602 0.247398 Cl\n0.752602 0.247398 0.752602 Cl\n0.752602 0.752602 0.247398 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Cs",
"Li",
"Tm",
"Cl"
],
"chemical_system": "Cl-Cs-Li-Tm",
"density": 3.6757900410865827,
"density_atomic": 0.03382638429752389,
"volume": 295.62722140338263,
"volume_molar": 17.803087397788552,
"formula_full": "Cs2 Li1 Tm1 Cl6",
"formula_reduced": "Cs2LiTmCl6",
"formula_anonymous": "ABC2D6",
"energy": -44.1901116,
"energy_per_atom": -4.41901116,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -40.5061116,
"band_gap": 5.2527,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 6.52e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:51.527000Z",
"spacegroup": 225
},
{
"id": "mp-1187384",
"created_at": "2022-09-04T14:42:27.282784Z",
"structure_string": "Tb1 Tm1 In2\n1.0\n0.000000 3.743361 3.743361\n3.743361 0.000000 3.743361\n3.743361 3.743361 0.000000\nTb Tm In\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Tb\n0.000000 0.000000 0.000000 Tm\n0.250000 0.250000 0.250000 In\n0.750000 0.750000 0.750000 In\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Tb",
"Tm",
"In"
],
"chemical_system": "In-Tb-Tm",
"density": 8.824200768732274,
"density_atomic": 0.03812807344486849,
"volume": 104.90957550697712,
"volume_molar": 15.794505769371616,
"formula_full": "Tb1 Tm1 In2",
"formula_reduced": "TbTmIn2",
"formula_anonymous": "ABC2",
"energy": -16.37899983,
"energy_per_atom": -4.0947499575,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -16.37899983,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002399,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:52.090000Z",
"spacegroup": 225
},
{
"id": "mp-1183779",
"created_at": "2022-09-04T14:42:27.476654Z",
"structure_string": "Dy1 Rh2 Pb1\n1.0\n0.000000 3.372924 3.372924\n3.372924 0.000000 3.372924\n3.372924 3.372924 0.000000\nDy Rh Pb\n1 2 1\ndirect\n0.500000 0.500000 0.500000 Dy\n0.250000 0.250000 0.250000 Rh\n0.750000 0.750000 0.750000 Rh\n0.000000 0.000000 0.000000 Pb\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Dy",
"Rh",
"Pb"
],
"chemical_system": "Dy-Pb-Rh",
"density": 12.452400031372122,
"density_atomic": 0.05212071068296962,
"volume": 76.7449243800698,
"volume_molar": 11.554218430808403,
"formula_full": "Dy1 Rh2 Pb1",
"formula_reduced": "DyRh2Pb",
"formula_anonymous": "ABC2",
"energy": -25.27738714,
"energy_per_atom": -6.319346785,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -25.27738714,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.3288363,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:51.836000Z",
"spacegroup": 225
},
{
"id": "mp-1112991",
"created_at": "2022-09-04T14:42:27.479382Z",
"structure_string": "Cs3 In1 Cl6\n1.0\n0.000000 5.815497 5.815497\n5.815497 0.000000 5.815497\n5.815497 5.815497 0.000000\nCs In Cl\n3 1 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.500000 0.500000 0.500000 Cs\n0.000000 0.000000 0.000000 In\n0.780826 0.219174 0.219174 Cl\n0.219174 0.219174 0.780826 Cl\n0.219174 0.780826 0.780826 Cl\n0.219174 0.780826 0.219174 Cl\n0.780826 0.219174 0.780826 Cl\n0.780826 0.780826 0.219174 Cl\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Cs",
"In",
"Cl"
],
"chemical_system": "Cl-Cs-In",
"density": 3.0658164335464524,
"density_atomic": 0.02542198723159097,
"volume": 393.36027938733946,
"volume_molar": 23.68870971863485,
"formula_full": "Cs3 In1 Cl6",
"formula_reduced": "Cs3InCl6",
"formula_anonymous": "AB3C6",
"energy": -36.66921689,
"energy_per_atom": -3.666921689,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.98521689,
"band_gap": 3.7287,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0002163,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:46.780000Z",
"spacegroup": 225
}
]
}