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=-energy_per_atom&page=86",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-energy_per_atom&page=84",
"results": [
{
"id": "mp-1093727",
"created_at": "2022-09-04T14:41:48.641620Z",
"structure_string": "Li1 Mg2 Au1\n1.0\n-5.534827 5.623704 7.949642\n5.534827 -5.623704 7.949642\n5.534827 5.623704 -7.949642\nLi Mg Au\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.260442 0.260442 Mg\n0.000000 0.739558 0.739558 Mg\n0.000000 0.500000 0.500000 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Mg",
"Au"
],
"chemical_system": "Au-Li-Mg",
"density": 0.42364943336941074,
"density_atomic": 0.0040413449751316105,
"volume": 989.7695011472599,
"volume_molar": 149.0132813965945,
"formula_full": "Li1 Mg2 Au1",
"formula_reduced": "LiMg2Au",
"formula_anonymous": "ABC2",
"energy": -5.31829493,
"energy_per_atom": -1.3295737325,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.31829493,
"band_gap": 1.1865,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 5.92e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:29.365000Z",
"spacegroup": 71
},
{
"id": "mp-1096715",
"created_at": "2022-09-04T14:40:35.975018Z",
"structure_string": "Mg2 Hg1 Rh1\n1.0\n-5.565944 6.100938 8.073201\n5.565944 -6.100938 8.073201\n5.565944 6.100938 -8.073201\nMg Hg Rh\n2 1 1\ndirect\n0.000000 0.224400 0.224400 Mg\n0.000000 0.775600 0.775600 Mg\n0.000000 0.500000 0.500000 Hg\n0.000000 0.000000 0.000000 Rh\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mg",
"Hg",
"Rh"
],
"chemical_system": "Hg-Mg-Rh",
"density": 0.5331884163552526,
"density_atomic": 0.0036476972907295655,
"volume": 1096.582221931023,
"volume_molar": 165.09431238455448,
"formula_full": "Mg2 Hg1 Rh1",
"formula_reduced": "Mg2HgRh",
"formula_anonymous": "ABC2",
"energy": -5.32190057,
"energy_per_atom": -1.3304751425,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.32190057,
"band_gap": 0.2186999999999996,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.0000002,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:04.825000Z",
"spacegroup": 71
},
{
"id": "mp-1097275",
"created_at": "2022-09-04T14:43:13.411192Z",
"structure_string": "Na1 Cd1 Pb2\n1.0\n-5.937510 6.361728 9.205586\n5.937510 -6.361728 9.205586\n5.937510 6.361728 -9.205586\nNa Cd Pb\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Na\n0.000000 0.500000 0.500000 Cd\n0.000000 0.261256 0.261256 Pb\n0.000000 0.738744 0.738744 Pb\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Na",
"Cd",
"Pb"
],
"chemical_system": "Cd-Na-Pb",
"density": 0.6563924227588157,
"density_atomic": 0.0028758690681307078,
"volume": 1390.8839050868087,
"volume_molar": 209.40246643128106,
"formula_full": "Na1 Cd1 Pb2",
"formula_reduced": "NaCdPb2",
"formula_anonymous": "ABC2",
"energy": -5.32665961,
"energy_per_atom": -1.3316649025,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.32665961,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.0030648,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:06.083000Z",
"spacegroup": 71
},
{
"id": "mp-11465",
"created_at": "2022-09-04T14:41:47.930059Z",
"structure_string": "Mg10 Hg6\n1.0\n4.189238 -7.255973 0.000000\n4.189238 7.255973 0.000000\n0.000000 0.000000 5.855511\nMg Hg\n10 6\ndirect\n0.748986 0.000000 0.750000 Mg\n0.748986 0.748986 0.250000 Mg\n0.000000 0.251014 0.250000 Mg\n0.000000 0.748986 0.750000 Mg\n0.251014 0.251014 0.750000 Mg\n0.251014 0.000000 0.250000 Mg\n0.333333 0.666667 0.000000 Mg\n0.666667 0.333333 0.500000 Mg\n0.666667 0.333333 0.000000 Mg\n0.333333 0.666667 0.500000 Mg\n0.387187 0.000000 0.750000 Hg\n0.387187 0.387187 0.250000 Hg\n0.000000 0.612813 0.250000 Hg\n0.000000 0.387187 0.750000 Hg\n0.612813 0.612813 0.750000 Hg\n0.612813 0.000000 0.250000 Hg\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Mg",
"Hg"
],
"chemical_system": "Hg-Mg",
"density": 6.747906664421594,
"density_atomic": 0.044946356640133994,
"volume": 355.9799101872721,
"volume_molar": 13.398507042999439,
"formula_full": "Mg10 Hg6",
"formula_reduced": "Mg5Hg3",
"formula_anonymous": "A3B5",
"energy": -21.31703467,
"energy_per_atom": -1.332314666875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -21.31703467,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0007012,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:28.495000Z",
"spacegroup": 193
},
{
"id": "mp-865612",
"created_at": "2022-09-04T14:46:08.013955Z",
"structure_string": "Li2 Cd6\n1.0\n3.089821 -5.351728 0.000000\n3.089821 5.351728 0.000000\n0.000000 0.000000 4.941547\nLi Cd\n2 6\ndirect\n0.666667 0.333333 0.250000 Li\n0.333333 0.666667 0.750000 Li\n0.830045 0.169955 0.750000 Cd\n0.339909 0.169955 0.750000 Cd\n0.830045 0.660091 0.750000 Cd\n0.169955 0.830045 0.250000 Cd\n0.660091 0.830045 0.250000 Cd\n0.169955 0.339909 0.250000 Cd\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Li",
"Cd"
],
"chemical_system": "Cd-Li",
"density": 6.9941811012103745,
"density_atomic": 0.04895191746846239,
"volume": 163.4256718371462,
"volume_molar": 12.30215499501078,
"formula_full": "Li2 Cd6",
"formula_reduced": "LiCd3",
"formula_anonymous": "AB3",
"energy": -10.66492226,
"energy_per_atom": -1.3331152825,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -10.66492226,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0010547,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:24.924000Z",
"spacegroup": 194
},
{
"id": "mp-1094920",
"created_at": "2022-09-04T14:43:13.960550Z",
"structure_string": "Mg1 Zn3\n1.0\n1.488605 -2.578339 0.000000\n1.488605 2.578339 0.000000\n0.000000 0.000000 8.778603\nMg Zn\n1 3\ndirect\n0.666667 0.333333 0.500000 Mg\n0.666667 0.333333 0.000000 Zn\n0.000000 0.000000 0.759833 Zn\n0.000000 0.000000 0.240167 Zn\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Mg",
"Zn"
],
"chemical_system": "Mg-Zn",
"density": 5.434327624389002,
"density_atomic": 0.05935879763723447,
"volume": 67.3868096932423,
"volume_molar": 10.14532133350094,
"formula_full": "Mg1 Zn3",
"formula_reduced": "MgZn3",
"formula_anonymous": "AB3",
"energy": -5.33308937,
"energy_per_atom": -1.3332723425,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.33308937,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 8.68e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:10.775000Z",
"spacegroup": 187
},
{
"id": "mp-1039246",
"created_at": "2022-09-04T14:44:54.955932Z",
"structure_string": "Mg3 Cd3\n1.0\n2.643322 4.816076 0.000000\n-2.643322 4.816076 0.000000\n0.000000 3.204122 5.172955\nMg Cd\n3 3\ndirect\n0.673603 0.998297 0.001297 Mg\n0.001703 0.326397 0.998703 Mg\n0.491932 0.508068 0.500000 Mg\n0.339168 0.660832 0.000000 Cd\n0.162530 0.168937 0.504606 Cd\n0.831063 0.837470 0.495394 Cd\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mg",
"Cd"
],
"chemical_system": "Cd-Mg",
"density": 5.171036428426521,
"density_atomic": 0.045555325284288205,
"volume": 131.70798282213931,
"volume_molar": 13.219400196176416,
"formula_full": "Mg3 Cd3",
"formula_reduced": "MgCd",
"formula_anonymous": "AB",
"energy": -8.00217382,
"energy_per_atom": -1.3336956366666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -8.00217382,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0034811,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:45.457000Z",
"spacegroup": 5
},
{
"id": "mp-973940",
"created_at": "2022-09-04T14:39:16.385249Z",
"structure_string": "Li1 Cd3\n1.0\n0.000000 3.449262 3.449262\n3.449262 0.000000 3.449262\n3.449262 3.449262 0.000000\nLi Cd\n1 3\ndirect\n0.000000 0.000000 0.000000 Li\n0.250000 0.250000 0.250000 Cd\n0.750000 0.750000 0.750000 Cd\n0.500000 0.500000 0.500000 Cd\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Li",
"Cd"
],
"chemical_system": "Cd-Li",
"density": 6.963356167549241,
"density_atomic": 0.048736175327000045,
"volume": 82.07455700332692,
"volume_molar": 12.356613377216963,
"formula_full": "Li1 Cd3",
"formula_reduced": "LiCd3",
"formula_anonymous": "AB3",
"energy": -5.33491021,
"energy_per_atom": -1.3337275525,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.33491021,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0010151,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:34.171000Z",
"spacegroup": 225
},
{
"id": "mp-1017292",
"created_at": "2022-09-04T14:40:03.491514Z",
"structure_string": "Rb2 Sr2 Mg12\n1.0\n5.298251 0.000000 0.000000\n0.000000 7.191436 0.000000\n0.000000 0.000000 13.554897\nRb Sr Mg\n2 2 12\ndirect\n0.500000 0.000000 0.175382 Rb\n0.500000 0.500000 0.675382 Rb\n0.500000 0.500000 0.170521 Sr\n0.500000 0.000000 0.670521 Sr\n0.500000 0.254683 0.422597 Mg\n0.500000 0.745317 0.422597 Mg\n0.000000 0.737747 0.047159 Mg\n0.000000 0.262253 0.047159 Mg\n0.000000 0.000000 0.360598 Mg\n0.000000 0.500000 0.353984 Mg\n0.500000 0.754683 0.922597 Mg\n0.500000 0.245317 0.922597 Mg\n0.000000 0.237747 0.547159 Mg\n0.000000 0.762253 0.547159 Mg\n0.000000 0.500000 0.860598 Mg\n0.000000 0.000000 0.853984 Mg\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Rb",
"Sr",
"Mg"
],
"chemical_system": "Mg-Rb-Sr",
"density": 2.050753598214254,
"density_atomic": 0.030979586179988933,
"volume": 516.4691325133032,
"volume_molar": 19.439061338688777,
"formula_full": "Rb2 Sr2 Mg12",
"formula_reduced": "RbSrMg6",
"formula_anonymous": "ABC6",
"energy": -21.34790537,
"energy_per_atom": -1.334244085625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -21.34790537,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0087232,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:47.250000Z",
"spacegroup": 38
},
{
"id": "mp-1039186",
"created_at": "2022-09-04T14:44:28.306519Z",
"structure_string": "Mg6 Cd6\n1.0\n4.974291 0.000000 0.000000\n0.000000 9.640728 0.000000\n0.000000 0.000000 5.473542\nMg Cd\n6 6\ndirect\n-0.000000 0.169312 0.160908 Mg\n0.000000 0.330688 0.660908 Mg\n0.500000 0.500000 0.842844 Mg\n-0.000000 0.669312 0.660908 Mg\n0.000000 0.830688 0.160908 Mg\n0.500000 0.000000 0.342844 Mg\n0.000000 0.500000 0.158689 Cd\n0.500000 0.332833 0.338326 Cd\n0.500000 0.167167 0.838326 Cd\n0.000000 0.000000 0.658689 Cd\n0.500000 0.832833 0.838326 Cd\n0.500000 0.667167 0.338326 Cd\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Mg",
"Cd"
],
"chemical_system": "Cd-Mg",
"density": 5.189317201386956,
"density_atomic": 0.04571637357125884,
"volume": 262.48801168131604,
"volume_molar": 13.17283128464508,
"formula_full": "Mg6 Cd6",
"formula_reduced": "MgCd",
"formula_anonymous": "AB",
"energy": -16.02158789,
"energy_per_atom": -1.3351323241666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -16.02158789,
"band_gap": 1.0967000000000002,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:35.979000Z",
"spacegroup": 38
},
{
"id": "mp-1026676",
"created_at": "2022-09-04T14:45:55.728970Z",
"structure_string": "Cs1 Na1 Mg14\n1.0\n6.692522 -0.000000 -0.000000\n-3.346261 5.795894 -0.000000\n-0.000000 0.000000 10.834834\nCs Na Mg\n1 1 14\ndirect\n0.166667 0.333333 0.625000 Cs\n0.166667 0.333333 0.125000 Na\n0.169923 0.834961 0.125000 Mg\n0.170223 0.835111 0.625000 Mg\n0.665039 0.330077 0.125000 Mg\n0.664889 0.329777 0.625000 Mg\n0.665039 0.834961 0.125000 Mg\n0.664889 0.835111 0.625000 Mg\n0.342332 0.157668 0.360255 Mg\n0.342332 0.157668 0.889745 Mg\n0.342332 0.684665 0.360255 Mg\n0.342332 0.684665 0.889745 Mg\n0.815335 0.157668 0.360255 Mg\n0.815335 0.157668 0.889745 Mg\n0.833333 0.666667 0.378645 Mg\n0.833333 0.666667 0.871355 Mg\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Cs",
"Na",
"Mg"
],
"chemical_system": "Cs-Mg-Na",
"density": 1.960391961108261,
"density_atomic": 0.03807040343720759,
"volume": 420.2739807154924,
"volume_molar": 15.818431685213882,
"formula_full": "Cs1 Na1 Mg14",
"formula_reduced": "CsNaMg14",
"formula_anonymous": "ABC14",
"energy": -21.39678258,
"energy_per_atom": -1.33729891125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -21.39678258,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 2.09e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:10.418000Z",
"spacegroup": 187
},
{
"id": "mp-1017192",
"created_at": "2022-09-04T14:45:13.354151Z",
"structure_string": "Rb2 Ba2 Mg12\n1.0\n5.495794 0.000000 0.000000\n0.000000 7.405931 0.000000\n0.000000 0.000000 12.642906\nRb Ba Mg\n2 2 12\ndirect\n0.000000 0.500000 0.342852 Rb\n0.000000 0.000000 0.842852 Rb\n0.500000 0.500000 0.161409 Ba\n0.500000 0.000000 0.661409 Ba\n0.000000 0.775087 0.082924 Mg\n0.000000 0.224913 0.082924 Mg\n0.000000 0.500000 0.831193 Mg\n0.500000 0.716603 0.917153 Mg\n0.500000 0.283397 0.917153 Mg\n0.500000 0.500000 0.664392 Mg\n0.000000 0.275087 0.582924 Mg\n0.000000 0.724913 0.582924 Mg\n0.000000 0.000000 0.331193 Mg\n0.500000 0.216603 0.417153 Mg\n0.500000 0.783397 0.417153 Mg\n0.500000 0.000000 0.164392 Mg\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Rb",
"Ba",
"Mg"
],
"chemical_system": "Ba-Mg-Rb",
"density": 2.379066748389755,
"density_atomic": 0.031093024324331385,
"volume": 514.584873864439,
"volume_molar": 19.36814089611561,
"formula_full": "Rb2 Ba2 Mg12",
"formula_reduced": "RbBaMg6",
"formula_anonymous": "ABC6",
"energy": -21.39803883,
"energy_per_atom": -1.337377426875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -21.39803883,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0078119,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:57.274000Z",
"spacegroup": 38
}
]
}