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=-nsites&page=11466",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-nsites&page=11464",
"results": [
{
"id": "mp-1096419",
"created_at": "2022-09-04T14:44:08.778166Z",
"structure_string": "Co2 Cu1 Ge1\n1.0\n-7.850161 0.000000 -4.532292\n-7.975390 0.000753 4.749196\n-5.275538 7.637086 0.072916\nCo Cu Ge\n2 1 1\ndirect\n0.741765 0.000000 0.000000 Co\n0.258235 0.000000 0.000000 Co\n0.000000 0.000000 0.000000 Cu\n0.500000 0.000000 0.000000 Ge\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Co",
"Cu",
"Ge"
],
"chemical_system": "Co-Cu-Ge",
"density": 0.7523030913506398,
"density_atomic": 0.007133135196031538,
"volume": 560.7632394554035,
"volume_molar": 84.42487902585064,
"formula_full": "Co2 Cu1 Ge1",
"formula_reduced": "Co2CuGe",
"formula_anonymous": "ABC2",
"energy": -13.65140343,
"energy_per_atom": -3.4128508575,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -13.65140343,
"band_gap": 0.0045999999999999,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 3.00011,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:32.877000Z",
"spacegroup": 71
},
{
"id": "mp-1095882",
"created_at": "2022-09-04T14:44:09.041908Z",
"structure_string": "Ti1 V2 Mo1\n1.0\n-5.273727 5.418619 7.408159\n5.273727 -5.418619 7.408159\n5.273727 5.418619 -7.408159\nTi V Mo\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Ti\n0.769370 0.000000 0.769370 V\n0.230630 0.000000 0.230630 V\n0.500000 0.000000 0.500000 Mo\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"V",
"Mo"
],
"chemical_system": "Mo-Ti-V",
"density": 0.4817924961919868,
"density_atomic": 0.004723712369543047,
"volume": 846.7916094533385,
"volume_molar": 127.48745666287378,
"formula_full": "Ti1 V2 Mo1",
"formula_reduced": "TiV2Mo",
"formula_anonymous": "ABC2",
"energy": -20.121391,
"energy_per_atom": -5.03034775,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -20.121391,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.0393381,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:32.431000Z",
"spacegroup": 71
},
{
"id": "mp-864650",
"created_at": "2022-09-04T14:44:09.555842Z",
"structure_string": "Ta2 Os1 W1\n1.0\n0.000000 3.214603 3.214603\n3.214603 0.000000 3.214603\n3.214603 3.214603 0.000000\nTa Os W\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ta\n0.750000 0.750000 0.750000 Ta\n0.500000 0.500000 0.500000 Os\n0.000000 0.000000 0.000000 W\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ta",
"Os",
"W"
],
"chemical_system": "Os-Ta-W",
"density": 18.394783237817837,
"density_atomic": 0.060207134606973765,
"volume": 66.43730890220246,
"volume_molar": 10.002370648116605,
"formula_full": "Ta2 Os1 W1",
"formula_reduced": "Ta2OsW",
"formula_anonymous": "ABC2",
"energy": -49.0952364,
"energy_per_atom": -12.2738091,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -49.0952364,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0026709,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:32.677000Z",
"spacegroup": 225
},
{
"id": "mp-1187512",
"created_at": "2022-09-04T14:44:03.725084Z",
"structure_string": "Ti1 Au3\n1.0\n-2.117862 2.117862 3.893822\n2.117862 -2.117862 3.893822\n2.117862 2.117862 -3.893822\nTi Au\n1 3\ndirect\n0.000000 0.000000 0.000000 Ti\n0.750000 0.250000 0.500000 Au\n0.250000 0.750000 0.500000 Au\n0.500000 0.500000 0.000000 Au\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ti",
"Au"
],
"chemical_system": "Au-Ti",
"density": 15.183083057980024,
"density_atomic": 0.057257000013010886,
"volume": 69.86045372777221,
"volume_molar": 10.517737147652772,
"formula_full": "Ti1 Au3",
"formula_reduced": "TiAu3",
"formula_anonymous": "AB3",
"energy": -18.82509947,
"energy_per_atom": -4.7062748675,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -18.82509947,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.2846015,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:23.457000Z",
"spacegroup": 139
},
{
"id": "mp-2092",
"created_at": "2022-09-04T14:44:03.789209Z",
"structure_string": "Ce1 Pd3\n1.0\n4.168181 0.000000 0.000000\n0.000000 4.168181 0.000000\n0.000000 0.000000 4.168181\nCe Pd\n1 3\ndirect\n0.000000 0.000000 0.000000 Ce\n0.000000 0.500000 0.500000 Pd\n0.500000 0.500000 0.000000 Pd\n0.500000 0.000000 0.500000 Pd\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ce",
"Pd"
],
"chemical_system": "Ce-Pd",
"density": 10.533621051503307,
"density_atomic": 0.05523575346258741,
"volume": 72.41686315928146,
"volume_molar": 10.902613583571283,
"formula_full": "Ce1 Pd3",
"formula_reduced": "CePd3",
"formula_anonymous": "AB3",
"energy": -24.80154915,
"energy_per_atom": -6.2003872875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -24.80154915,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 3.65e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:23.224000Z",
"spacegroup": 221
},
{
"id": "mp-864782",
"created_at": "2022-09-04T14:43:57.267427Z",
"structure_string": "Ta2 Mo1 Ru1\n1.0\n0.000000 3.201996 3.201996\n3.201996 0.000000 3.201996\n3.201996 3.201996 0.000000\nTa Mo Ru\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ta\n0.750000 0.750000 0.750000 Ta\n0.500000 0.500000 0.500000 Mo\n0.000000 0.000000 0.000000 Ru\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ta",
"Mo",
"Ru"
],
"chemical_system": "Mo-Ru-Ta",
"density": 14.134984352274047,
"density_atomic": 0.06092108654540141,
"volume": 65.65871074901138,
"volume_molar": 9.885149956266789,
"formula_full": "Ta2 Mo1 Ru1",
"formula_reduced": "Ta2MoRu",
"formula_anonymous": "ABC2",
"energy": -45.31922898,
"energy_per_atom": -11.329807245,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -45.31922898,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0011266,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:23.123000Z",
"spacegroup": 225
},
{
"id": "mp-1228340",
"created_at": "2022-09-04T14:43:57.113232Z",
"structure_string": "Ba2 N1 F1\n1.0\n0.000000 3.455754 3.455754\n3.455754 0.000000 3.455754\n3.455754 3.455754 0.000000\nBa N F\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Ba\n0.500000 0.500000 0.500000 N\n0.000000 0.000000 0.000000 F\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"N",
"F"
],
"chemical_system": "Ba-F-N",
"density": 6.189569067017075,
"density_atomic": 0.048462022791464665,
"volume": 82.53885763729402,
"volume_molar": 12.42651547153464,
"formula_full": "Ba2 N1 F1",
"formula_reduced": "Ba2NF",
"formula_anonymous": "ABC2",
"energy": -20.51291779,
"energy_per_atom": -5.1282294475,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -19.68991779,
"band_gap": 0.6992000000000003,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 3.5e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:24.959000Z",
"spacegroup": 225
},
{
"id": "mp-865471",
"created_at": "2022-09-04T14:43:59.399436Z",
"structure_string": "V1 Ga1 Tc2\n1.0\n0.000000 3.046442 3.046442\n3.046442 0.000000 3.046442\n3.046442 3.046442 0.000000\nV Ga Tc\n1 1 2\ndirect\n0.000000 0.000000 0.000000 V\n0.500000 0.500000 0.500000 Ga\n0.750000 0.750000 0.750000 Tc\n0.250000 0.250000 0.250000 Tc\n",
"nsites": 4,
"nelements": 3,
"elements": [
"V",
"Ga",
"Tc"
],
"chemical_system": "Ga-Tc-V",
"density": 9.299074740602874,
"density_atomic": 0.07073775184148968,
"volume": 56.54689180627716,
"volume_molar": 8.513333549947292,
"formula_full": "V1 Ga1 Tc2",
"formula_reduced": "VGaTc2",
"formula_anonymous": "ABC2",
"energy": -33.78420202,
"energy_per_atom": -8.446050505,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -33.78420202,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0035443,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:08.161000Z",
"spacegroup": 225
},
{
"id": "mp-1187788",
"created_at": "2022-09-04T14:43:59.513100Z",
"structure_string": "Y3 Si1\n1.0\n4.668333 0.000000 0.000000\n0.000000 4.668333 0.000000\n0.000000 0.000000 4.668333\nY Si\n3 1\ndirect\n0.000000 0.500000 0.500000 Y\n0.500000 0.000000 0.500000 Y\n0.500000 0.500000 0.000000 Y\n0.000000 0.000000 0.000000 Si\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Y",
"Si"
],
"chemical_system": "Si-Y",
"density": 4.811667265513925,
"density_atomic": 0.039316469179301664,
"volume": 101.73853561870246,
"volume_molar": 15.317094555302498,
"formula_full": "Y3 Si1",
"formula_reduced": "Y3Si",
"formula_anonymous": "AB3",
"energy": -25.701873,
"energy_per_atom": -6.42546825,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -25.772873,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0498307,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:08.591000Z",
"spacegroup": 221
},
{
"id": "mp-1219685",
"created_at": "2022-09-04T14:44:02.945191Z",
"structure_string": "Pu1 U1 C2\n1.0\n5.740683 -1.791702 0.000000\n5.740683 1.791702 0.000000\n5.181481 0.000000 3.052520\nPu U C\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Pu\n0.500000 0.500000 0.500000 U\n0.238650 0.238650 0.238650 C\n0.761350 0.761350 0.761350 C\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Pu",
"U",
"C"
],
"chemical_system": "C-Pu-U",
"density": 13.38212045193296,
"density_atomic": 0.06370039615757962,
"volume": 62.79395798583342,
"volume_molar": 9.453851346705374,
"formula_full": "Pu1 U1 C2",
"formula_reduced": "PuUC2",
"formula_anonymous": "ABC2",
"energy": -44.40142171,
"energy_per_atom": -11.1003554275,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -44.40142171,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.3094793,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:20.269000Z",
"spacegroup": 166
},
{
"id": "mp-30482",
"created_at": "2022-09-04T14:43:59.516220Z",
"structure_string": "Ca3 Tl1\n1.0\n0.000000 4.057488 4.057488\n4.057488 0.000000 4.057488\n4.057488 4.057488 0.000000\nCa Tl\n3 1\ndirect\n0.500000 0.500000 0.500000 Ca\n0.250000 0.250000 0.250000 Ca\n0.750000 0.750000 0.750000 Ca\n0.000000 0.000000 0.000000 Tl\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ca",
"Tl"
],
"chemical_system": "Ca-Tl",
"density": 4.034772301540493,
"density_atomic": 0.02994044586388079,
"volume": 133.5985448642057,
"volume_molar": 20.113731062585547,
"formula_full": "Ca3 Tl1",
"formula_reduced": "Ca3Tl",
"formula_anonymous": "AB3",
"energy": -9.09017399,
"energy_per_atom": -2.2725434975,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -9.09017399,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0778452,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:06.894000Z",
"spacegroup": 225
},
{
"id": "mp-1208309",
"created_at": "2022-09-04T14:43:59.425760Z",
"structure_string": "Tb1 Sb3\n1.0\n3.081190 -5.156276 0.000000\n3.081190 5.156276 0.000000\n0.000000 0.000000 15.238067\nTb Sb\n1 3\ndirect\n0.000000 0.000000 0.000000 Tb\n0.000000 0.000000 0.500000 Sb\n0.500000 0.000000 0.000000 Sb\n0.000000 0.500000 0.000000 Sb\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Tb",
"Sb"
],
"chemical_system": "Sb-Tb",
"density": 1.7977778966478906,
"density_atomic": 0.008261244607726134,
"volume": 484.18854421270794,
"volume_molar": 72.89628919071026,
"formula_full": "Tb1 Sb3",
"formula_reduced": "TbSb3",
"formula_anonymous": "AB3",
"energy": -14.16301434,
"energy_per_atom": -3.540753585,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -13.58701434,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.9980761,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:22.973000Z",
"spacegroup": 65
}
]
}