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=-volume_molar&page=162",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-volume_molar&page=160",
"results": [
{
"id": "mp-1096540",
"created_at": "2022-09-04T14:41:13.442003Z",
"structure_string": "Li1 Al1 Ir2\n1.0\n-4.799895 5.268704 7.409010\n4.799895 -5.268704 7.409010\n4.799895 5.268704 -7.409010\nLi Al Ir\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.500000 Al\n0.000000 0.264965 0.264965 Ir\n0.000000 0.735035 0.735035 Ir\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Al",
"Ir"
],
"chemical_system": "Al-Ir-Li",
"density": 0.9269150824914755,
"density_atomic": 0.0053370869927736805,
"volume": 749.4725128925063,
"volume_molar": 112.8357242097397,
"formula_full": "Li1 Al1 Ir2",
"formula_reduced": "LiAlIr2",
"formula_anonymous": "ABC2",
"energy": -12.99515225,
"energy_per_atom": -3.2487880625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -12.99515225,
"band_gap": 0.0748000000000002,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9999999,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:16.942000Z",
"spacegroup": 71
},
{
"id": "mp-1096427",
"created_at": "2022-09-04T14:41:27.511038Z",
"structure_string": "Ga1 Si1 Tc2\n1.0\n-4.826597 5.239461 7.405284\n4.826597 -5.239461 7.405284\n4.826597 5.239461 -7.405284\nGa Si Tc\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Ga\n0.000000 0.000000 0.000000 Si\n0.000000 0.236684 0.236684 Tc\n0.000000 0.763316 0.763316 Tc\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ga",
"Si",
"Tc"
],
"chemical_system": "Ga-Si-Tc",
"density": 0.6513045207316063,
"density_atomic": 0.00533986934050651,
"volume": 749.0819990027289,
"volume_molar": 112.77693096941533,
"formula_full": "Ga1 Si1 Tc2",
"formula_reduced": "GaSiTc2",
"formula_anonymous": "ABC2",
"energy": -18.00246552,
"energy_per_atom": -4.50061638,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -18.00246552,
"band_gap": 0.3658000000000001,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.9391467,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:22.851000Z",
"spacegroup": 71
},
{
"id": "mp-1096466",
"created_at": "2022-09-04T14:46:41.790700Z",
"structure_string": "Al2 V1 Ir1\n1.0\n-5.028256 5.138818 7.244710\n5.028256 -5.138818 7.244710\n5.028256 5.138818 -7.244710\nAl V Ir\n2 1 1\ndirect\n0.000000 0.266267 0.266267 Al\n0.000000 0.733733 0.733733 Al\n0.000000 0.000000 0.000000 V\n0.000000 0.500000 0.500000 Ir\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Al",
"V",
"Ir"
],
"chemical_system": "Al-Ir-V",
"density": 0.6589032884372646,
"density_atomic": 0.005341932267539602,
"volume": 748.7927213727718,
"volume_molar": 112.7333792042573,
"formula_full": "Al2 V1 Ir1",
"formula_reduced": "Al2VIr",
"formula_anonymous": "ABC2",
"energy": -15.01401552,
"energy_per_atom": -3.75350388,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.01401552,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.9994574,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:48.520000Z",
"spacegroup": 71
},
{
"id": "mp-1097192",
"created_at": "2022-09-04T14:40:13.986950Z",
"structure_string": "V1 Re2 W1\n1.0\n-4.712193 5.262306 7.543187\n4.712193 -5.262306 7.543187\n4.712193 5.262306 -7.543187\nV Re W\n1 2 1\ndirect\n0.000000 0.000000 0.000000 V\n0.000000 0.252104 0.252104 Re\n0.000000 0.747896 0.747896 Re\n0.000000 0.500000 0.500000 W\n",
"nsites": 4,
"nelements": 3,
"elements": [
"V",
"Re",
"W"
],
"chemical_system": "Re-V-W",
"density": 1.3476080851374574,
"density_atomic": 0.005346209305448654,
"volume": 748.1936773263537,
"volume_molar": 112.64319101503307,
"formula_full": "V1 Re2 W1",
"formula_reduced": "VRe2W",
"formula_anonymous": "ABC2",
"energy": -28.17358022,
"energy_per_atom": -7.043395055,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -28.17358022,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.9392104,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:52.284000Z",
"spacegroup": 71
},
{
"id": "mp-1096306",
"created_at": "2022-09-04T14:47:38.729663Z",
"structure_string": "Ta1 Nb1 Mo2\n1.0\n-4.654262 5.275958 7.617248\n4.654262 -5.275958 7.617248\n4.654262 5.275958 -7.617248\nTa Nb Mo\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Ta\n0.000000 0.000000 0.000000 Nb\n0.000000 0.251931 0.251931 Mo\n0.000000 0.748069 0.748069 Mo\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ta",
"Nb",
"Mo"
],
"chemical_system": "Mo-Nb-Ta",
"density": 1.0336584047475872,
"density_atomic": 0.00534625596433313,
"volume": 748.1871475450284,
"volume_molar": 112.64220793347623,
"formula_full": "Ta1 Nb1 Mo2",
"formula_reduced": "TaNbMo2",
"formula_anonymous": "ABC2",
"energy": -25.36360869,
"energy_per_atom": -6.3409021725,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -25.36360869,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.5831349,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:16.024000Z",
"spacegroup": 71
},
{
"id": "mp-1093715",
"created_at": "2022-09-04T14:41:37.152339Z",
"structure_string": "Ti1 Be1 Au2\n1.0\n-4.599029 4.865765 8.357053\n4.599029 -4.865765 8.357053\n4.599029 4.865765 -8.357053\nTi Be Au\n1 1 2\ndirect\n0.500000 0.000000 0.500000 Ti\n0.000000 0.000000 0.000000 Be\n0.223924 0.000000 0.223924 Au\n0.776076 0.000000 0.776076 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"Be",
"Au"
],
"chemical_system": "Au-Be-Ti",
"density": 1.0007243044618548,
"density_atomic": 0.005347238625160036,
"volume": 748.0496533629607,
"volume_molar": 112.62150770052392,
"formula_full": "Ti1 Be1 Au2",
"formula_reduced": "TiBeAu2",
"formula_anonymous": "ABC2",
"energy": -11.29553366,
"energy_per_atom": -2.823883415,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -11.29553366,
"band_gap": 0.274,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.6335039,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:31.268000Z",
"spacegroup": 71
},
{
"id": "mp-1095804",
"created_at": "2022-09-04T14:39:22.453997Z",
"structure_string": "Nb1 Zn1 Ni2\n1.0\n-4.557784 5.385581 7.618146\n4.557784 -5.385581 7.618146\n4.557784 5.385581 -7.618146\nNb Zn Ni\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Nb\n0.000000 0.000000 0.000000 Zn\n0.000000 0.262915 0.262915 Ni\n0.000000 0.737085 0.737085 Ni\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Nb",
"Zn",
"Ni"
],
"chemical_system": "Nb-Ni-Zn",
"density": 0.6120595985297649,
"density_atomic": 0.0053476676276250044,
"volume": 747.9896430617308,
"volume_molar": 112.6124729384975,
"formula_full": "Nb1 Zn1 Ni2",
"formula_reduced": "NbZnNi2",
"formula_anonymous": "ABC2",
"energy": -12.49545347,
"energy_per_atom": -3.1238633675,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -12.49545347,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:32.163000Z",
"spacegroup": 71
},
{
"id": "mp-1096497",
"created_at": "2022-09-04T14:42:53.061156Z",
"structure_string": "V2 Fe1 Tc1\n1.0\n-4.778575 5.309218 7.366848\n4.778575 -5.309218 7.366848\n4.778575 5.309218 -7.366848\nV Fe Tc\n2 1 1\ndirect\n0.000000 0.274909 0.274909 V\n0.000000 0.725091 0.725091 V\n0.000000 0.000000 0.000000 Fe\n0.000000 0.500000 0.500000 Tc\n",
"nsites": 4,
"nelements": 3,
"elements": [
"V",
"Fe",
"Tc"
],
"chemical_system": "Fe-Tc-V",
"density": 0.5680109581830659,
"density_atomic": 0.005350437878657007,
"volume": 747.602362781572,
"volume_molar": 112.55416652948028,
"formula_full": "V2 Fe1 Tc1",
"formula_reduced": "V2FeTc",
"formula_anonymous": "ABC2",
"energy": -22.61743415,
"energy_per_atom": -5.6543585375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -22.61743415,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 7.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:59.893000Z",
"spacegroup": 71
},
{
"id": "mp-1096472",
"created_at": "2022-09-04T14:40:09.291285Z",
"structure_string": "Mg1 Ga1 Cu2\n1.0\n-4.960255 5.161791 7.298522\n4.960255 -5.161791 7.298522\n4.960255 5.161791 -7.298522\nMg Ga Cu\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Mg\n0.000000 0.500000 0.500000 Ga\n0.000000 0.261241 0.261241 Cu\n0.000000 0.738759 0.738759 Cu\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mg",
"Ga",
"Cu"
],
"chemical_system": "Cu-Ga-Mg",
"density": 0.49122197937080214,
"density_atomic": 0.005351316760490377,
"volume": 747.4795791444521,
"volume_molar": 112.5356810208363,
"formula_full": "Mg1 Ga1 Cu2",
"formula_reduced": "MgGaCu2",
"formula_anonymous": "ABC2",
"energy": -7.44266385,
"energy_per_atom": -1.8606659625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -7.44266385,
"band_gap": 0.4249,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002071,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:52.924000Z",
"spacegroup": 71
},
{
"id": "mp-1097354",
"created_at": "2022-09-04T14:40:55.082789Z",
"structure_string": "Ta2 Mo1 Rh1\n1.0\n-4.548317 5.390264 7.618831\n4.548317 -5.390264 7.618831\n4.548317 5.390264 -7.618831\nTa Mo Rh\n2 1 1\ndirect\n0.000000 0.245087 0.245087 Ta\n0.000000 0.754913 0.754913 Ta\n0.000000 0.000000 0.000000 Mo\n0.000000 0.500000 0.500000 Rh\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ta",
"Mo",
"Rh"
],
"chemical_system": "Mo-Rh-Ta",
"density": 1.2462423836514491,
"density_atomic": 0.005353661371749626,
"volume": 747.1522239167629,
"volume_molar": 112.48639653934461,
"formula_full": "Ta2 Mo1 Rh1",
"formula_reduced": "Ta2MoRh",
"formula_anonymous": "ABC2",
"energy": -25.76496452,
"energy_per_atom": -6.44124113,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -25.76496452,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0064514,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:59.597000Z",
"spacegroup": 71
},
{
"id": "mp-1096383",
"created_at": "2022-09-04T14:43:53.613391Z",
"structure_string": "Ga1 Re1 Tc2\n1.0\n-4.686640 5.352483 7.445822\n4.686640 -5.352483 7.445822\n4.686640 5.352483 -7.445822\nGa Re Tc\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ga\n0.000000 0.500000 0.500000 Re\n0.000000 0.266549 0.266549 Tc\n0.000000 0.733451 0.733451 Tc\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ga",
"Re",
"Tc"
],
"chemical_system": "Ga-Re-Tc",
"density": 1.004455581848272,
"density_atomic": 0.005353902509812043,
"volume": 747.1185724187619,
"volume_molar": 112.48133018790095,
"formula_full": "Ga1 Re1 Tc2",
"formula_reduced": "GaReTc2",
"formula_anonymous": "ABC2",
"energy": -21.50942744,
"energy_per_atom": -5.37735686,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -21.50942744,
"band_gap": 0.1518999999999999,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.0002811,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:31.647000Z",
"spacegroup": 71
},
{
"id": "mp-1097404",
"created_at": "2022-09-04T14:45:30.712617Z",
"structure_string": "Ta2 Mn1 Mo1\n1.0\n-4.582138 5.383578 7.570022\n4.582138 -5.383578 7.570022\n4.582138 5.383578 -7.570022\nTa Mn Mo\n2 1 1\ndirect\n0.000000 0.253417 0.253417 Ta\n0.000000 0.746583 0.746583 Ta\n0.000000 0.000000 0.000000 Mn\n0.000000 0.500000 0.500000 Mo\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ta",
"Mn",
"Mo"
],
"chemical_system": "Mn-Mo-Ta",
"density": 1.1399311495923248,
"density_atomic": 0.005355051896167694,
"volume": 746.9582139554188,
"volume_molar": 112.45718765694322,
"formula_full": "Ta2 Mn1 Mo1",
"formula_reduced": "Ta2MnMo",
"formula_anonymous": "ABC2",
"energy": -26.23519152,
"energy_per_atom": -6.55879788,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -26.23519152,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.3389845,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:01.977000Z",
"spacegroup": 71
}
]
}