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=75",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-energy_per_atom&page=73",
"results": [
{
"id": "mp-11472",
"created_at": "2022-09-04T14:46:16.947534Z",
"structure_string": "Sr1 Hg2\n1.0\n2.545483 -4.408907 0.000000\n2.545483 4.408907 0.000000\n0.000000 0.000000 4.043565\nSr Hg\n1 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.666667 0.333333 0.500000 Hg\n0.333333 0.666667 0.500000 Hg\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Sr",
"Hg"
],
"chemical_system": "Hg-Sr",
"density": 8.943030898776703,
"density_atomic": 0.033054126991862214,
"volume": 90.76022491045028,
"volume_molar": 18.219028327333,
"formula_full": "Sr1 Hg2",
"formula_reduced": "SrHg2",
"formula_anonymous": "AB2",
"energy": -3.76131893,
"energy_per_atom": -1.2537729766666665,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.76131893,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001462,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:26.125000Z",
"spacegroup": 191
},
{
"id": "mp-1017345",
"created_at": "2022-09-04T14:45:06.743135Z",
"structure_string": "Rb2 Na2 Mg12\n1.0\n5.436357 0.000000 0.000000\n0.000000 7.156013 0.000000\n0.000000 0.000000 12.048076\nRb Na Mg\n2 2 12\ndirect\n0.500000 0.500000 0.172885 Rb\n0.500000 0.000000 0.672885 Rb\n0.000000 0.500000 0.340626 Na\n0.000000 0.000000 0.840626 Na\n0.000000 0.220992 0.072843 Mg\n0.000000 0.779008 0.072843 Mg\n0.000000 0.500000 0.832719 Mg\n0.500000 0.260759 0.922733 Mg\n0.500000 0.739241 0.922733 Mg\n0.500000 0.500000 0.662619 Mg\n0.000000 0.720992 0.572843 Mg\n0.000000 0.279008 0.572843 Mg\n0.000000 0.000000 0.332719 Mg\n0.500000 0.760759 0.422733 Mg\n0.500000 0.239241 0.422733 Mg\n0.500000 0.000000 0.162619 Mg\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Rb",
"Na",
"Mg"
],
"chemical_system": "Mg-Na-Rb",
"density": 1.8018035390192464,
"density_atomic": 0.034136830418609855,
"volume": 468.70197976193845,
"volume_molar": 17.641183103856655,
"formula_full": "Rb2 Na2 Mg12",
"formula_reduced": "RbNaMg6",
"formula_anonymous": "ABC6",
"energy": -20.06077405,
"energy_per_atom": -1.253798378125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -20.06077405,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0035836,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:46.961000Z",
"spacegroup": 38
},
{
"id": "mp-1038783",
"created_at": "2022-09-04T14:41:07.861283Z",
"structure_string": "Ca1 Zn1\n1.0\n0.000000 3.381874 3.381874\n3.381874 0.000000 3.381874\n3.381874 3.381874 0.000000\nCa Zn\n1 1\ndirect\n0.000000 0.000000 0.000000 Ca\n0.750000 0.750000 0.750000 Zn\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ca",
"Zn"
],
"chemical_system": "Ca-Zn",
"density": 2.264361564943383,
"density_atomic": 0.025853999223288834,
"volume": 77.35747118760779,
"volume_molar": 23.292879016470923,
"formula_full": "Ca1 Zn1",
"formula_reduced": "CaZn",
"formula_anonymous": "AB",
"energy": -2.50799876,
"energy_per_atom": -1.25399938,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -2.50799876,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004299,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:14.541000Z",
"spacegroup": 216
},
{
"id": "mp-1096722",
"created_at": "2022-09-04T14:40:29.342140Z",
"structure_string": "Li2 Zn1 Cu1\n1.0\n-5.099185 5.217510 7.203798\n5.099185 -5.217510 7.203798\n5.099185 5.217510 -7.203798\nLi Zn Cu\n2 1 1\ndirect\n0.235271 0.000000 0.235271 Li\n0.764729 0.000000 0.764729 Li\n0.500000 0.000000 0.500000 Zn\n0.000000 0.000000 0.000000 Cu\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Zn",
"Cu"
],
"chemical_system": "Cu-Li-Zn",
"density": 0.3093885529380207,
"density_atomic": 0.005217643652469171,
"volume": 766.6295873055763,
"volume_molar": 115.41878213837222,
"formula_full": "Li2 Zn1 Cu1",
"formula_reduced": "Li2ZnCu",
"formula_anonymous": "ABC2",
"energy": -5.01780661,
"energy_per_atom": -1.2544516525,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.01780661,
"band_gap": 0.5648,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.0001085,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:58.328000Z",
"spacegroup": 71
},
{
"id": "mp-982008",
"created_at": "2022-09-04T14:40:12.511964Z",
"structure_string": "Hg3 F1\n1.0\n-2.252410 2.252410 4.175722\n2.252410 -2.252410 4.175722\n2.252410 2.252410 -4.175722\nHg F\n3 1\ndirect\n0.750000 0.250000 0.500000 Hg\n0.250000 0.750000 0.500000 Hg\n0.500000 0.500000 0.000000 Hg\n0.000000 0.000000 0.000000 F\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Hg",
"F"
],
"chemical_system": "F-Hg",
"density": 12.164443296127905,
"density_atomic": 0.04720342687804915,
"volume": 84.73961033240379,
"volume_molar": 12.757846534232149,
"formula_full": "Hg3 F1",
"formula_reduced": "Hg3F",
"formula_anonymous": "AB3",
"energy": -5.01985818,
"energy_per_atom": -1.254964545,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.55785818,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004299,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:46.731000Z",
"spacegroup": 139
},
{
"id": "mp-1186875",
"created_at": "2022-09-04T14:40:56.444883Z",
"structure_string": "Rb3 Tb1\n1.0\n-3.119746 3.119746 6.805386\n3.119746 -3.119746 6.805386\n3.119746 3.119746 -6.805386\nRb Tb\n3 1\ndirect\n0.750000 0.250000 0.500000 Rb\n0.250000 0.750000 0.500000 Rb\n0.500000 0.500000 0.000000 Rb\n0.000000 0.000000 0.000000 Tb\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Rb",
"Tb"
],
"chemical_system": "Rb-Tb",
"density": 2.603094081269086,
"density_atomic": 0.015097629503705367,
"volume": 264.9422546114469,
"volume_molar": 39.88798876354731,
"formula_full": "Rb3 Tb1",
"formula_reduced": "Rb3Tb",
"formula_anonymous": "AB3",
"energy": -5.02007769,
"energy_per_atom": -1.2550194225,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.02007769,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.4216914,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:59.652000Z",
"spacegroup": 139
},
{
"id": "mp-866104",
"created_at": "2022-09-04T14:39:36.620697Z",
"structure_string": "Ca1 Cd1 Hg2\n1.0\n0.000000 3.681838 3.681838\n3.681838 0.000000 3.681838\n3.681838 3.681838 0.000000\nCa Cd Hg\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ca\n0.000000 0.000000 0.000000 Cd\n0.250000 0.250000 0.250000 Hg\n0.750000 0.750000 0.750000 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ca",
"Cd",
"Hg"
],
"chemical_system": "Ca-Cd-Hg",
"density": 9.210331943210909,
"density_atomic": 0.04007153402304139,
"volume": 99.82148419124594,
"volume_molar": 15.028475716794945,
"formula_full": "Ca1 Cd1 Hg2",
"formula_reduced": "CaCdHg2",
"formula_anonymous": "ABC2",
"energy": -5.02152542,
"energy_per_atom": -1.255381355,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.02152542,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0024461,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:40.870000Z",
"spacegroup": 225
},
{
"id": "mp-1186024",
"created_at": "2022-09-04T14:40:38.561225Z",
"structure_string": "Na3 Cd1\n1.0\n0.000000 3.934776 3.934776\n3.934776 0.000000 3.934776\n3.934776 3.934776 0.000000\nNa Cd\n3 1\ndirect\n0.250000 0.250000 0.250000 Na\n0.750000 0.750000 0.750000 Na\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Cd\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Na",
"Cd"
],
"chemical_system": "Cd-Na",
"density": 2.4720041479917594,
"density_atomic": 0.03282992982190054,
"volume": 121.84004113623287,
"volume_molar": 18.343446948164615,
"formula_full": "Na3 Cd1",
"formula_reduced": "Na3Cd",
"formula_anonymous": "AB3",
"energy": -5.02368393,
"energy_per_atom": -1.2559209825,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.02368393,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0091384,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:04.697000Z",
"spacegroup": 225
},
{
"id": "mp-1185755",
"created_at": "2022-09-04T14:47:04.752407Z",
"structure_string": "Mg2 Cd1 Hg1\n1.0\n0.000000 3.490687 3.490687\n3.490687 0.000000 3.490687\n3.490687 3.490687 0.000000\nMg Cd Hg\n2 1 1\ndirect\n0.750000 0.750000 0.750000 Mg\n0.250000 0.250000 0.250000 Mg\n0.500000 0.500000 0.500000 Cd\n0.000000 0.000000 0.000000 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mg",
"Cd",
"Hg"
],
"chemical_system": "Cd-Hg-Mg",
"density": 7.058753384479772,
"density_atomic": 0.047021585611227226,
"volume": 85.06731425587932,
"volume_molar": 12.8071835131015,
"formula_full": "Mg2 Cd1 Hg1",
"formula_reduced": "Mg2CdHg",
"formula_anonymous": "ABC2",
"energy": -5.02411891,
"energy_per_atom": -1.2560297275,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.02411891,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0006241,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:56.452000Z",
"spacegroup": 225
},
{
"id": "mp-1186841",
"created_at": "2022-09-04T14:47:16.669858Z",
"structure_string": "Rb6 Dy2\n1.0\n4.540793 -7.864884 0.000000\n4.540793 7.864884 0.000000\n0.000000 0.000000 7.466826\nRb Dy\n6 2\ndirect\n0.172309 0.344618 0.250000 Rb\n0.655382 0.827691 0.250000 Rb\n0.172309 0.827691 0.250000 Rb\n0.827691 0.655382 0.750000 Rb\n0.344618 0.172309 0.750000 Rb\n0.827691 0.172309 0.750000 Rb\n0.333333 0.666667 0.750000 Dy\n0.666667 0.333333 0.250000 Dy\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Rb",
"Dy"
],
"chemical_system": "Dy-Rb",
"density": 2.608572586003254,
"density_atomic": 0.015000299640458934,
"volume": 533.322679663167,
"volume_molar": 40.146803092899766,
"formula_full": "Rb6 Dy2",
"formula_reduced": "Rb3Dy",
"formula_anonymous": "AB3",
"energy": -10.05112974,
"energy_per_atom": -1.2563912175,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -10.05112974,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.8397072,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:03.133000Z",
"spacegroup": 194
},
{
"id": "mp-1093623",
"created_at": "2022-09-04T14:42:59.274818Z",
"structure_string": "Li1 Hg2 Pt1\n1.0\n-5.228181 5.341654 7.547789\n5.228181 -5.341654 7.547789\n5.228181 5.341654 -7.547789\nLi Hg Pt\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.751962 0.000000 0.751962 Hg\n0.248038 0.000000 0.248038 Hg\n0.500000 0.000000 0.500000 Pt\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Hg",
"Pt"
],
"chemical_system": "Hg-Li-Pt",
"density": 1.1879766920574626,
"density_atomic": 0.004744100504234241,
"volume": 843.1524577588289,
"volume_molar": 126.93956956909055,
"formula_full": "Li1 Hg2 Pt1",
"formula_reduced": "LiHg2Pt",
"formula_anonymous": "ABC2",
"energy": -5.02829707,
"energy_per_atom": -1.2570742675,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.02829707,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.9999802,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:56.245000Z",
"spacegroup": 71
},
{
"id": "mp-1093856",
"created_at": "2022-09-04T14:47:44.030623Z",
"structure_string": "Mg1 Ti1 Zn2\n1.0\n-5.525518 5.565561 7.894743\n5.525518 -5.565561 7.894743\n5.525518 5.565561 -7.894743\nMg Ti Zn\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Mg\n0.000000 0.500000 0.500000 Ti\n0.000000 0.254311 0.254311 Zn\n0.000000 0.745689 0.745689 Zn\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mg",
"Ti",
"Zn"
],
"chemical_system": "Mg-Ti-Zn",
"density": 0.3470913637180988,
"density_atomic": 0.004118888712967315,
"volume": 971.1357307146895,
"volume_molar": 146.20790168573288,
"formula_full": "Mg1 Ti1 Zn2",
"formula_reduced": "MgTiZn2",
"formula_anonymous": "ABC2",
"energy": -5.03329618,
"energy_per_atom": -1.258324045,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.03329618,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.1928649,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:16.366000Z",
"spacegroup": 71
}
]
}