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=12093",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-density&page=12091",
"results": [
{
"id": "mp-1188318",
"created_at": "2022-09-04T14:44:16.746575Z",
"structure_string": "Si2 H16\n1.0\n5.213467 0.000000 0.000000\n0.000000 5.221602 0.000000\n0.000000 0.000000 7.209817\nSi H\n2 16\ndirect\n0.247275 0.500000 0.858346 Si\n0.752725 0.000000 0.358346 Si\n0.481243 0.500000 0.977734 H\n0.518757 0.000000 0.477734 H\n0.013300 0.500000 0.977853 H\n0.986700 0.000000 0.477853 H\n0.247268 0.733247 0.738584 H\n0.247268 0.266753 0.738584 H\n0.752732 0.766753 0.238584 H\n0.752732 0.233247 0.238584 H\n0.288454 0.500000 0.310099 H\n0.711546 0.000000 0.810099 H\n0.222413 0.500000 0.403298 H\n0.777587 0.000000 0.903298 H\n0.761084 0.500000 0.655259 H\n0.238916 0.000000 0.155259 H\n0.708748 0.500000 0.558843 H\n0.291252 0.000000 0.058843 H\n",
"nsites": 18,
"nelements": 2,
"elements": [
"Si",
"H"
],
"chemical_system": "H-Si",
"density": 0.6116753577960788,
"density_atomic": 0.0917102481563785,
"volume": 196.27032269400843,
"volume_molar": 6.566486168188563,
"formula_full": "Si2 H16",
"formula_reduced": "SiH8",
"formula_anonymous": "AB8",
"energy": -67.53056011,
"energy_per_atom": -3.7516977838888885,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -64.80856011,
"band_gap": 7.028499999999999,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003953,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:36.647000Z",
"spacegroup": 31
},
{
"id": "mp-1095731",
"created_at": "2022-09-04T14:40:57.110487Z",
"structure_string": "Li2 As1 Au1\n1.0\n-4.983596 5.245955 7.419106\n4.983596 -5.245955 7.419106\n4.983596 5.245955 -7.419106\nLi As Au\n2 1 1\ndirect\n0.000000 0.251812 0.251812 Li\n0.000000 0.748188 0.748188 Li\n0.000000 0.000000 0.000000 As\n0.000000 0.500000 0.500000 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"As",
"Au"
],
"chemical_system": "As-Au-Li",
"density": 0.6116275398903452,
"density_atomic": 0.0051556215990970645,
"volume": 775.852130168076,
"volume_molar": 116.8072684204499,
"formula_full": "Li2 As1 Au1",
"formula_reduced": "Li2AsAu",
"formula_anonymous": "ABC2",
"energy": -9.39843299,
"energy_per_atom": -2.3496082475,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -9.39843299,
"band_gap": 1.3965000000000003,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9999709,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:00.189000Z",
"spacegroup": 71
},
{
"id": "mp-1097316",
"created_at": "2022-09-04T14:46:53.487070Z",
"structure_string": "Zr2 Mn1 Tc1\n1.0\n-4.672885 5.830367 8.373438\n4.672885 -5.830367 8.373438\n4.672885 5.830367 -8.373438\nZr Mn Tc\n2 1 1\ndirect\n0.000000 0.262009 0.262009 Zr\n0.000000 0.737991 0.737991 Zr\n0.000000 0.000000 0.000000 Mn\n0.000000 0.500000 0.500000 Tc\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Zr",
"Mn",
"Tc"
],
"chemical_system": "Mn-Tc-Zr",
"density": 0.6103083324325712,
"density_atomic": 0.004383441399513142,
"volume": 912.5250312332839,
"volume_molar": 137.38385462775582,
"formula_full": "Zr2 Mn1 Tc1",
"formula_reduced": "Zr2MnTc",
"formula_anonymous": "ABC2",
"energy": -23.04586184,
"energy_per_atom": -5.76146546,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -23.04586184,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.8404461,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:44.132000Z",
"spacegroup": 71
},
{
"id": "mp-1096331",
"created_at": "2022-09-04T14:42:12.618205Z",
"structure_string": "Y2 In1 Hg1\n1.0\n-6.107341 6.269156 8.767690\n6.107341 -6.269156 8.767690\n6.107341 6.269156 -8.767690\nY In Hg\n2 1 1\ndirect\n0.000000 0.246422 0.246422 Y\n0.000000 0.753578 0.753578 Y\n0.000000 0.000000 0.000000 In\n0.000000 0.500000 0.500000 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Y",
"In",
"Hg"
],
"chemical_system": "Hg-In-Y",
"density": 0.6099343447576779,
"density_atomic": 0.0029788838359525813,
"volume": 1342.7848215238942,
"volume_molar": 202.16098014020923,
"formula_full": "Y2 In1 Hg1",
"formula_reduced": "Y2InHg",
"formula_anonymous": "ABC2",
"energy": -8.48753065,
"energy_per_atom": -2.1218826625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -8.48753065,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.0260732,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:47.921000Z",
"spacegroup": 71
},
{
"id": "mp-1093744",
"created_at": "2022-09-04T14:43:15.840836Z",
"structure_string": "Sc1 Ag2 Sn1\n1.0\n-5.408726 5.766432 8.279956\n5.408726 -5.766432 8.279956\n5.408726 5.766432 -8.279956\nSc Ag Sn\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Sc\n0.000000 0.250087 0.250087 Ag\n0.000000 0.749913 0.749913 Ag\n0.000000 0.500000 0.500000 Sn\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sc",
"Ag",
"Sn"
],
"chemical_system": "Ag-Sc-Sn",
"density": 0.6099003661903803,
"density_atomic": 0.0038723073000601995,
"volume": 1032.9758694352113,
"volume_molar": 155.51815218555558,
"formula_full": "Sc1 Ag2 Sn1",
"formula_reduced": "ScAg2Sn",
"formula_anonymous": "ABC2",
"energy": -9.21433796,
"energy_per_atom": -2.30358449,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -9.21433796,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.7249434,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:12.394000Z",
"spacegroup": 71
},
{
"id": "mp-1095863",
"created_at": "2022-09-04T14:39:15.734669Z",
"structure_string": "Mg1 In1 Cu2\n1.0\n-5.018380 5.098380 7.086176\n5.018380 -5.098380 7.086176\n5.018380 5.098380 -7.086176\nMg In Cu\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.000000 0.500000 In\n0.749564 0.000000 0.749564 Cu\n0.250436 0.000000 0.250436 Cu\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mg",
"In",
"Cu"
],
"chemical_system": "Cu-In-Mg",
"density": 0.6095564739979268,
"density_atomic": 0.005515594371246334,
"volume": 725.2164917805835,
"volume_molar": 109.18389487440143,
"formula_full": "Mg1 In1 Cu2",
"formula_reduced": "MgInCu2",
"formula_anonymous": "ABC2",
"energy": -7.18555249,
"energy_per_atom": -1.7963881225,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -7.18555249,
"band_gap": 0.3763000000000003,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002197,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:27.974000Z",
"spacegroup": 71
},
{
"id": "mp-1093563",
"created_at": "2022-09-04T14:44:13.895351Z",
"structure_string": "Cs1 Rb1 Au2\n1.0\n-6.568763 6.701836 9.485725\n6.568763 -6.701836 9.485725\n6.568763 6.701836 -9.485725\nCs Rb Au\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Cs\n0.000000 0.000000 0.000000 Rb\n0.000000 0.245819 0.245819 Au\n0.000000 0.754181 0.754181 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Cs",
"Rb",
"Au"
],
"chemical_system": "Au-Cs-Rb",
"density": 0.6087093587708534,
"density_atomic": 0.002394705331958333,
"volume": 1670.3516489558638,
"volume_molar": 251.47731871775798,
"formula_full": "Cs1 Rb1 Au2",
"formula_reduced": "CsRbAu2",
"formula_anonymous": "ABC2",
"energy": -7.99905708,
"energy_per_atom": -1.99976427,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -7.99905708,
"band_gap": 2.829,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.2e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:26.762000Z",
"spacegroup": 71
},
{
"id": "mp-1096706",
"created_at": "2022-09-04T14:41:31.826503Z",
"structure_string": "Sr2 Pd1 Au1\n1.0\n-5.768863 6.327031 8.943889\n5.768863 -6.327031 8.943889\n5.768863 6.327031 -8.943889\nSr Pd Au\n2 1 1\ndirect\n0.000000 0.236115 0.236115 Sr\n0.000000 0.763885 0.763885 Sr\n0.000000 0.000000 0.000000 Pd\n0.000000 0.500000 0.500000 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sr",
"Pd",
"Au"
],
"chemical_system": "Au-Pd-Sr",
"density": 0.6086523746894209,
"density_atomic": 0.003063256837757901,
"volume": 1305.7997457789834,
"volume_molar": 196.59274683633137,
"formula_full": "Sr2 Pd1 Au1",
"formula_reduced": "Sr2PdAu",
"formula_anonymous": "ABC2",
"energy": -9.19921192,
"energy_per_atom": -2.29980298,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -9.19921192,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004376,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:09.430000Z",
"spacegroup": 71
},
{
"id": "mp-1096029",
"created_at": "2022-09-04T14:47:25.406846Z",
"structure_string": "Ca1 Ag2 Pb1\n1.0\n-5.703744 6.521317 8.492713\n5.703744 -6.521317 8.492713\n5.703744 6.521317 -8.492713\nCa Ag Pb\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Ca\n0.000000 0.250137 0.250137 Ag\n0.000000 0.749863 0.749863 Ag\n0.000000 0.500000 0.500000 Pb\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ca",
"Ag",
"Pb"
],
"chemical_system": "Ag-Ca-Pb",
"density": 0.608473711359912,
"density_atomic": 0.0031656158770313057,
"volume": 1263.5771854136563,
"volume_molar": 190.23599179214142,
"formula_full": "Ca1 Ag2 Pb1",
"formula_reduced": "CaAg2Pb",
"formula_anonymous": "ABC2",
"energy": -6.65761874,
"energy_per_atom": -1.664404685,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.65761874,
"band_gap": 0.8364000000000003,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9308047,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:04.708000Z",
"spacegroup": 71
},
{
"id": "mp-1097429",
"created_at": "2022-09-04T14:47:58.075799Z",
"structure_string": "Ca1 Sn1 Pd2\n1.0\n-5.011081 5.981352 8.462310\n5.011081 -5.981352 8.462310\n5.011081 5.981352 -8.462310\nCa Sn Pd\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.000000 0.500000 0.500000 Sn\n0.000000 0.247980 0.247980 Pd\n0.000000 0.752020 0.752020 Pd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ca",
"Sn",
"Pd"
],
"chemical_system": "Ca-Pd-Sn",
"density": 0.6082439802180609,
"density_atomic": 0.003942577918307176,
"volume": 1014.5646028772665,
"volume_molar": 152.74627121600997,
"formula_full": "Ca1 Sn1 Pd2",
"formula_reduced": "CaSnPd2",
"formula_anonymous": "ABC2",
"energy": -11.51053856,
"energy_per_atom": -2.87763464,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -11.51053856,
"band_gap": 0.1556000000000001,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001612,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:18.783000Z",
"spacegroup": 71
},
{
"id": "mp-1095732",
"created_at": "2022-09-04T14:42:08.596989Z",
"structure_string": "Zr2 Co1 Rh1\n1.0\n-4.522870 6.072855 8.557916\n4.522870 -6.072855 8.557916\n4.522870 6.072855 -8.557916\nZr Co Rh\n2 1 1\ndirect\n0.000000 0.240540 0.240540 Zr\n0.000000 0.759460 0.759460 Zr\n0.000000 0.000000 0.000000 Co\n0.000000 0.500000 0.500000 Rh\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Zr",
"Co",
"Rh"
],
"chemical_system": "Co-Rh-Zr",
"density": 0.6080430231847549,
"density_atomic": 0.004254269163692138,
"volume": 940.231998985352,
"volume_molar": 141.55523612364917,
"formula_full": "Zr2 Co1 Rh1",
"formula_reduced": "Zr2CoRh",
"formula_anonymous": "ABC2",
"energy": -20.28846092,
"energy_per_atom": -5.07211523,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -20.28846092,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.6536929,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:38.184000Z",
"spacegroup": 71
},
{
"id": "mp-1095847",
"created_at": "2022-09-04T14:47:25.779520Z",
"structure_string": "Be1 Co2 P1\n1.0\n-4.214202 4.286336 5.966350\n4.214202 -4.286336 5.966350\n4.214202 4.286336 -5.966350\nBe Co P\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.740531 0.000000 0.740531 Co\n0.259469 0.000000 0.259469 Co\n0.500000 0.000000 0.500000 P\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Co",
"P"
],
"chemical_system": "Be-Co-P",
"density": 0.6080367467850146,
"density_atomic": 0.00927875511212203,
"volume": 431.0923126718029,
"volume_molar": 64.90246468658822,
"formula_full": "Be1 Co2 P1",
"formula_reduced": "BeCo2P",
"formula_anonymous": "ABC2",
"energy": -14.09931895,
"energy_per_atom": -3.5248297375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.09931895,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.9914977,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:12.337000Z",
"spacegroup": 71
}
]
}