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&page=12095",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=energy&page=12093",
"results": [
{
"id": "mp-2054",
"created_at": "2022-09-04T14:39:31.760741Z",
"structure_string": "Tb1 Hg1\n1.0\n3.743070 0.000000 0.000000\n0.000000 3.743070 0.000000\n0.000000 0.000000 3.743070\nTb Hg\n1 1\ndirect\n0.500000 0.500000 0.500000 Tb\n0.000000 0.000000 0.000000 Hg\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Tb",
"Hg"
],
"chemical_system": "Hg-Tb",
"density": 11.383680242168799,
"density_atomic": 0.03813696678534712,
"volume": 52.442555572312436,
"volume_molar": 15.790822573529393,
"formula_full": "Tb1 Hg1",
"formula_reduced": "TbHg",
"formula_anonymous": "AB",
"energy": -5.9095507,
"energy_per_atom": -2.95477535,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.9095507,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0012779,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:39.027000Z",
"spacegroup": 221
},
{
"id": "mp-1096299",
"created_at": "2022-09-04T14:43:21.353508Z",
"structure_string": "Li2 Hg1 Sb1\n1.0\n-5.434846 5.526715 7.660605\n5.434846 -5.526715 7.660605\n5.434846 5.526715 -7.660605\nLi Hg Sb\n2 1 1\ndirect\n0.239994 0.000000 0.239994 Li\n0.760006 0.000000 0.760006 Li\n0.500000 0.000000 0.500000 Hg\n0.000000 0.000000 0.000000 Sb\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Hg",
"Sb"
],
"chemical_system": "Hg-Li-Sb",
"density": 0.6066116801475472,
"density_atomic": 0.004345928913096981,
"volume": 920.4016172343541,
"volume_molar": 138.56970236792307,
"formula_full": "Li2 Hg1 Sb1",
"formula_reduced": "Li2HgSb",
"formula_anonymous": "ABC2",
"energy": -5.90195086,
"energy_per_atom": -1.475487715,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.70995086,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.2755916,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:20.502000Z",
"spacegroup": 71
},
{
"id": "mp-1186146",
"created_at": "2022-09-04T14:45:00.073290Z",
"structure_string": "Na1 La1\n1.0\n1.803125 -3.123105 0.000000\n1.803125 3.123105 0.000000\n0.000000 0.000000 6.483782\nNa La\n1 1\ndirect\n0.333333 0.666667 0.000000 Na\n0.666667 0.333333 0.500000 La\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Na",
"La"
],
"chemical_system": "La-Na",
"density": 3.6813944641951215,
"density_atomic": 0.027387927851029812,
"volume": 73.02487471409043,
"volume_molar": 21.988303725480865,
"formula_full": "Na1 La1",
"formula_reduced": "NaLa",
"formula_anonymous": "AB",
"energy": -5.90084268,
"energy_per_atom": -2.95042134,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.90084268,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0027272,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:49.737000Z",
"spacegroup": 187
},
{
"id": "mp-1097134",
"created_at": "2022-09-04T14:43:10.658600Z",
"structure_string": "La2 Cd1 Ag1\n1.0\n-5.849968 6.021407 8.404536\n5.849968 -6.021407 8.404536\n5.849968 6.021407 -8.404536\nLa Cd Ag\n2 1 1\ndirect\n0.000000 0.238918 0.238918 La\n0.000000 0.761082 0.761082 La\n0.000000 0.500000 0.500000 Cd\n0.000000 0.000000 0.000000 Ag\n",
"nsites": 4,
"nelements": 3,
"elements": [
"La",
"Cd",
"Ag"
],
"chemical_system": "Ag-Cd-La",
"density": 0.6984443933760851,
"density_atomic": 0.0033778066366839904,
"volume": 1184.2004087974733,
"volume_molar": 178.28553874569818,
"formula_full": "La2 Cd1 Ag1",
"formula_reduced": "La2CdAg",
"formula_anonymous": "ABC2",
"energy": -5.8990746,
"energy_per_atom": -1.47476865,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.8990746,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9516966,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:09.365000Z",
"spacegroup": 71
},
{
"id": "mp-1183294",
"created_at": "2022-09-04T14:46:01.624232Z",
"structure_string": "Ba1 Dy1\n1.0\n3.880552 -0.000146 0.000000\n-1.940403 3.360573 0.000001\n0.000000 0.000002 6.480507\nBa Dy\n1 1\ndirect\n0.666676 0.333326 0.750000 Ba\n0.333324 0.666672 0.250000 Dy\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ba",
"Dy"
],
"chemical_system": "Ba-Dy",
"density": 5.891331301919601,
"density_atomic": 0.0236659316047017,
"volume": 84.50966703557366,
"volume_molar": 25.446455523447828,
"formula_full": "Ba1 Dy1",
"formula_reduced": "BaDy",
"formula_anonymous": "AB",
"energy": -5.89873556,
"energy_per_atom": -2.94936778,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.89873556,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.4973841,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:15.791000Z",
"spacegroup": 187
},
{
"id": "mp-22903",
"created_at": "2022-09-04T14:42:14.359237Z",
"structure_string": "Rb1 I1\n1.0\n0.000000 3.743926 3.743926\n3.743926 0.000000 3.743926\n3.743926 3.743926 0.000000\nRb I\n1 1\ndirect\n0.000000 0.000000 0.000000 Rb\n0.500000 0.500000 0.500000 I\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Rb",
"I"
],
"chemical_system": "I-Rb",
"density": 3.3599680093693327,
"density_atomic": 0.01905540710047656,
"volume": 104.95708590502805,
"volume_molar": 31.60331725397455,
"formula_full": "Rb1 I1",
"formula_reduced": "RbI",
"formula_anonymous": "AB",
"energy": -5.89620219,
"energy_per_atom": -2.948101095,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.51720219,
"band_gap": 3.7765,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:45.067000Z",
"spacegroup": 225
},
{
"id": "mp-1187945",
"created_at": "2022-09-04T14:39:34.167005Z",
"structure_string": "Yb3 Cd1\n1.0\n0.000000 3.959035 3.959035\n3.959035 0.000000 3.959035\n3.959035 3.959035 0.000000\nYb Cd\n3 1\ndirect\n0.250000 0.250000 0.250000 Yb\n0.750000 0.750000 0.750000 Yb\n0.500000 0.500000 0.500000 Yb\n0.000000 0.000000 0.000000 Cd\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Yb",
"Cd"
],
"chemical_system": "Cd-Yb",
"density": 8.449786814177601,
"density_atomic": 0.03223012368644106,
"volume": 124.10749766010875,
"volume_molar": 18.684820507013637,
"formula_full": "Yb3 Cd1",
"formula_reduced": "Yb3Cd",
"formula_anonymous": "AB3",
"energy": -5.89548343,
"energy_per_atom": -1.4738708575,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.89548343,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002134,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:42.539000Z",
"spacegroup": 225
},
{
"id": "mp-867144",
"created_at": "2022-09-04T14:41:48.232578Z",
"structure_string": "Ca1 Mg1 Hg2\n1.0\n0.000000 3.651306 3.651306\n3.651306 0.000000 3.651306\n3.651306 3.651306 0.000000\nCa Mg Hg\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ca\n0.000000 0.000000 0.000000 Mg\n0.250000 0.250000 0.250000 Hg\n0.750000 0.750000 0.750000 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ca",
"Mg",
"Hg"
],
"chemical_system": "Ca-Hg-Mg",
"density": 7.940591736320174,
"density_atomic": 0.04108519033543322,
"volume": 97.35868246788353,
"volume_molar": 14.65769225074347,
"formula_full": "Ca1 Mg1 Hg2",
"formula_reduced": "CaMgHg2",
"formula_anonymous": "ABC2",
"energy": -5.89361885,
"energy_per_atom": -1.4734047125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.89361885,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0027075,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:23.699000Z",
"spacegroup": 225
},
{
"id": "mp-614603",
"created_at": "2022-09-04T14:48:03.868247Z",
"structure_string": "Cs1 I1\n1.0\n0.000000 3.929589 3.929589\n3.929589 0.000000 3.929589\n3.929589 3.929589 0.000000\nCs I\n1 1\ndirect\n0.000000 0.000000 0.000000 Cs\n0.500000 0.500000 0.500000 I\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Cs",
"I"
],
"chemical_system": "Cs-I",
"density": 3.554949583391213,
"density_atomic": 0.01648005329182429,
"volume": 121.35883085961832,
"volume_molar": 36.54199809528267,
"formula_full": "Cs1 I1",
"formula_reduced": "CsI",
"formula_anonymous": "AB",
"energy": -5.890282040000001,
"energy_per_atom": -2.9451410200000003,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.51128204,
"band_gap": 3.8556,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 7.7e-06,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:30.607000Z",
"spacegroup": 225
},
{
"id": "mp-1096481",
"created_at": "2022-09-04T14:41:50.142266Z",
"structure_string": "Mg1 Zn2 Ru1\n1.0\n-5.308028 5.864062 9.805868\n5.308028 -5.864062 9.805868\n5.308028 5.864062 -9.805868\nMg Zn Ru\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Mg\n0.000000 0.266702 0.266702 Zn\n0.000000 0.733298 0.733298 Zn\n0.000000 0.500000 0.500000 Ru\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mg",
"Zn",
"Ru"
],
"chemical_system": "Mg-Ru-Zn",
"density": 0.3484484717746915,
"density_atomic": 0.0032762889623982605,
"volume": 1220.8935310370118,
"volume_molar": 183.80981742195783,
"formula_full": "Mg1 Zn2 Ru1",
"formula_reduced": "MgZn2Ru",
"formula_anonymous": "ABC2",
"energy": -5.88521629,
"energy_per_atom": -1.4713040725,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.88521629,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.2471436,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:26.925000Z",
"spacegroup": 71
},
{
"id": "mp-1063280",
"created_at": "2022-09-04T14:43:57.718362Z",
"structure_string": "La1 Hg2\n1.0\n2.785284 -4.824253 0.000000\n2.785284 4.824253 0.000000\n0.000000 0.000000 3.594469\nLa Hg\n1 2\ndirect\n0.000000 0.000000 0.000000 La\n0.666667 0.333333 0.944869 Hg\n0.333333 0.666667 0.055131 Hg\n",
"nsites": 3,
"nelements": 2,
"elements": [
"La",
"Hg"
],
"chemical_system": "Hg-La",
"density": 9.284259975059598,
"density_atomic": 0.03105681797451319,
"volume": 96.59714663820206,
"volume_molar": 19.39072046898712,
"formula_full": "La1 Hg2",
"formula_reduced": "LaHg2",
"formula_anonymous": "AB2",
"energy": -5.88356532,
"energy_per_atom": -1.96118844,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.88356532,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.002848,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:23.011000Z",
"spacegroup": 164
},
{
"id": "mp-2443",
"created_at": "2022-09-04T14:46:02.210565Z",
"structure_string": "Dy1 Hg1\n1.0\n3.729064 0.000000 0.000000\n0.000000 3.729064 0.000000\n0.000000 0.000000 3.729064\nDy Hg\n1 1\ndirect\n0.000000 0.000000 0.000000 Dy\n0.500000 0.500000 0.500000 Hg\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Dy",
"Hg"
],
"chemical_system": "Dy-Hg",
"density": 11.626898320203109,
"density_atomic": 0.03856829894002461,
"volume": 51.85605937949422,
"volume_molar": 15.614224442111622,
"formula_full": "Dy1 Hg1",
"formula_reduced": "DyHg",
"formula_anonymous": "AB",
"energy": -5.88311019,
"energy_per_atom": -2.941555095,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.88311019,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0076173,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:14.930000Z",
"spacegroup": 221
}
]
}