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_uncorrected&page=12107",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=energy_uncorrected&page=12105",
"results": [
{
"id": "mp-1095946",
"created_at": "2022-09-04T14:41:19.489468Z",
"structure_string": "Ag2 Hg1 Au1\n1.0\n-5.347192 5.751045 8.130341\n5.347192 -5.751045 8.130341\n5.347192 5.751045 -8.130341\nAg Hg Au\n2 1 1\ndirect\n0.000000 0.246712 0.246712 Ag\n0.000000 0.753288 0.753288 Ag\n0.000000 0.500000 0.500000 Hg\n0.000000 0.000000 0.000000 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ag",
"Hg",
"Au"
],
"chemical_system": "Ag-Au-Hg",
"density": 1.0183001005818622,
"density_atomic": 0.0039996196621946535,
"volume": 1000.0950934932492,
"volume_molar": 150.56783566004268,
"formula_full": "Ag2 Hg1 Au1",
"formula_reduced": "Ag2HgAu",
"formula_anonymous": "ABC2",
"energy": -5.44299483,
"energy_per_atom": -1.3607487075,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.44299483,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 5.39e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:19.117000Z",
"spacegroup": 71
},
{
"id": "mp-1096118",
"created_at": "2022-09-04T14:41:55.351957Z",
"structure_string": "Sc1 Cd2 Ag1\n1.0\n-5.803700 6.042112 8.504609\n5.803700 -6.042112 8.504609\n5.803700 6.042112 -8.504609\nSc Cd Ag\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Sc\n0.000000 0.261758 0.261758 Cd\n0.000000 0.738242 0.738242 Cd\n0.000000 0.500000 0.500000 Ag\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sc",
"Cd",
"Ag"
],
"chemical_system": "Ag-Cd-Sc",
"density": 0.5256855578178379,
"density_atomic": 0.0033531418173553492,
"volume": 1192.91107202702,
"volume_molar": 179.59695974773035,
"formula_full": "Sc1 Cd2 Ag1",
"formula_reduced": "ScCd2Ag",
"formula_anonymous": "ABC2",
"energy": -5.44203659,
"energy_per_atom": -1.3605091475,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.44203659,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.999989,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:27.394000Z",
"spacegroup": 71
},
{
"id": "mp-1097131",
"created_at": "2022-09-04T14:44:54.369516Z",
"structure_string": "Na1 Cd2 Rh1\n1.0\n-5.667862 5.727693 7.653738\n5.667862 -5.727693 7.653738\n5.667862 5.727693 -7.653738\nNa Cd Rh\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Na\n0.000000 0.268094 0.268094 Cd\n0.000000 0.731906 0.731906 Cd\n0.000000 0.500000 0.500000 Rh\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Na",
"Cd",
"Rh"
],
"chemical_system": "Cd-Na-Rh",
"density": 0.5859676847369844,
"density_atomic": 0.004024643424900351,
"volume": 993.876867513807,
"volume_molar": 149.63165985690043,
"formula_full": "Na1 Cd2 Rh1",
"formula_reduced": "NaCd2Rh",
"formula_anonymous": "ABC2",
"energy": -5.4410846,
"energy_per_atom": -1.36027115,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.4410846,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9742646,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:46.316000Z",
"spacegroup": 71
},
{
"id": "mp-11307",
"created_at": "2022-09-04T14:39:37.457003Z",
"structure_string": "Mg2 Cd2\n1.0\n3.255190 0.000000 0.000000\n0.000000 4.976478 0.000000\n0.000000 0.000000 5.345630\nMg Cd\n2 2\ndirect\n0.500000 0.250000 0.316637 Mg\n0.500000 0.750000 0.683363 Mg\n0.000000 0.250000 0.817858 Cd\n0.000000 0.750000 0.182142 Cd\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Mg",
"Cd"
],
"chemical_system": "Cd-Mg",
"density": 5.243256571094555,
"density_atomic": 0.04619156371286203,
"volume": 86.59589930457801,
"volume_molar": 13.037317371273874,
"formula_full": "Mg2 Cd2",
"formula_reduced": "MgCd",
"formula_anonymous": "AB",
"energy": -5.4401513,
"energy_per_atom": -1.360037825,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.4401513,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0014779,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:28.909000Z",
"spacegroup": 51
},
{
"id": "mp-1008754",
"created_at": "2022-09-04T14:48:27.644981Z",
"structure_string": "Tb1 Hg2\n1.0\n2.688185 -4.656072 0.000000\n2.688185 4.656072 0.000000\n0.000000 0.000000 3.396856\nTb Hg\n1 2\ndirect\n0.000000 0.000000 0.000000 Tb\n0.666667 0.333333 0.955840 Hg\n0.333333 0.666667 0.044160 Hg\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Tb",
"Hg"
],
"chemical_system": "Hg-Tb",
"density": 10.937872214927832,
"density_atomic": 0.035280544695360315,
"volume": 85.0327007676422,
"volume_molar": 17.069296440856714,
"formula_full": "Tb1 Hg2",
"formula_reduced": "TbHg2",
"formula_anonymous": "AB2",
"energy": -5.43693113,
"energy_per_atom": -1.8123103766666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.43693113,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0116414,
"is_theoretical": false,
"updated_at": "2021-11-28T01:39:17.549000Z",
"spacegroup": 164
},
{
"id": "mp-12661",
"created_at": "2022-09-04T14:39:36.815549Z",
"structure_string": "Cd3 In1\n1.0\n4.595004 0.000000 0.000000\n0.000000 4.595004 0.000000\n0.000000 0.000000 4.595004\nCd In\n3 1\ndirect\n0.500000 0.500000 0.000000 Cd\n0.500000 0.000000 0.500000 Cd\n0.000000 0.500000 0.500000 Cd\n0.000000 0.000000 0.000000 In\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Cd",
"In"
],
"chemical_system": "Cd-In",
"density": 7.7371114087281025,
"density_atomic": 0.04122895336611525,
"volume": 97.01919824352058,
"volume_molar": 14.606581706120641,
"formula_full": "Cd3 In1",
"formula_reduced": "Cd3In",
"formula_anonymous": "AB3",
"energy": -5.4322956,
"energy_per_atom": -1.3580739,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.4322956,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0029659,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:26.985000Z",
"spacegroup": 221
},
{
"id": "mp-1061855",
"created_at": "2022-09-04T14:48:01.433439Z",
"structure_string": "Dy1 Hg2\n1.0\n2.677834 -4.638144 0.000000\n2.677834 4.638144 0.000000\n0.000000 0.000000 3.447084\nDy Hg\n1 2\ndirect\n0.000000 0.000000 0.000000 Dy\n0.333333 0.666667 0.920512 Hg\n0.666667 0.333333 0.079488 Hg\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Dy",
"Hg"
],
"chemical_system": "Dy-Hg",
"density": 10.931304236124783,
"density_atomic": 0.035035757605242565,
"volume": 85.62680544265142,
"volume_molar": 17.188555840159363,
"formula_full": "Dy1 Hg2",
"formula_reduced": "DyHg2",
"formula_anonymous": "AB2",
"energy": -5.42287397,
"energy_per_atom": -1.8076246566666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.42287397,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0198751,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:24.526000Z",
"spacegroup": 164
},
{
"id": "mp-1094232",
"created_at": "2022-09-04T14:45:53.832671Z",
"structure_string": "Mg1 Sn1\n1.0\n0.000000 2.996797 2.996797\n2.996797 0.000000 2.996797\n2.996797 2.996797 0.000000\nMg Sn\n1 1\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Sn\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Mg",
"Sn"
],
"chemical_system": "Mg-Sn",
"density": 4.411931047871228,
"density_atomic": 0.03715592043194994,
"volume": 53.82722260004151,
"volume_molar": 16.207755560865156,
"formula_full": "Mg1 Sn1",
"formula_reduced": "MgSn",
"formula_anonymous": "AB",
"energy": -5.4199715,
"energy_per_atom": -2.70998575,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.4199715,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001895,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:14.301000Z",
"spacegroup": 225
},
{
"id": "mp-1185577",
"created_at": "2022-09-04T14:44:14.008628Z",
"structure_string": "Cs2 Hg6\n1.0\n3.922969 -6.794781 0.000000\n3.922969 6.794781 0.000000\n0.000000 0.000000 5.920655\nCs Hg\n2 6\ndirect\n0.333333 0.666667 0.750000 Cs\n0.666667 0.333333 0.250000 Cs\n0.140578 0.281156 0.250000 Hg\n0.718844 0.859422 0.250000 Hg\n0.140578 0.859422 0.250000 Hg\n0.859422 0.718844 0.750000 Hg\n0.281156 0.140578 0.750000 Hg\n0.859422 0.140578 0.750000 Hg\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Cs",
"Hg"
],
"chemical_system": "Cs-Hg",
"density": 7.730089655937429,
"density_atomic": 0.0253454435648675,
"volume": 315.63858724844624,
"volume_molar": 23.760250021221058,
"formula_full": "Cs2 Hg6",
"formula_reduced": "CsHg3",
"formula_anonymous": "AB3",
"energy": -5.4190519,
"energy_per_atom": -0.6773814875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.4190519,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004225,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:35.600000Z",
"spacegroup": 194
},
{
"id": "mp-23302",
"created_at": "2022-09-04T14:43:08.148441Z",
"structure_string": "Rb1 I1\n1.0\n4.487542 0.000000 0.000000\n0.000000 4.487542 0.000000\n0.000000 0.000000 4.487542\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": 3.9023060550311066,
"density_atomic": 0.022131172172448702,
"volume": 90.37026979031045,
"volume_molar": 27.211124259821258,
"formula_full": "Rb1 I1",
"formula_reduced": "RbI",
"formula_anonymous": "AB",
"energy": -5.797005990000001,
"energy_per_atom": -2.8985029950000003,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.41800599,
"band_gap": 3.3463000000000003,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001099,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:01.370000Z",
"spacegroup": 221
},
{
"id": "mp-1096669",
"created_at": "2022-09-04T14:41:18.459220Z",
"structure_string": "Tl2 Hg1 Pb1\n1.0\n-5.942191 6.535831 9.233616\n5.942191 -6.535831 9.233616\n5.942191 6.535831 -9.233616\nTl Hg Pb\n2 1 1\ndirect\n0.000000 0.257294 0.257294 Tl\n0.000000 0.742706 0.742706 Tl\n0.000000 0.000000 0.000000 Hg\n0.000000 0.500000 0.500000 Pb\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Tl",
"Hg",
"Pb"
],
"chemical_system": "Hg-Pb-Tl",
"density": 0.9452706398991341,
"density_atomic": 0.00278856498213845,
"volume": 1434.429545526511,
"volume_molar": 215.95841583658697,
"formula_full": "Tl2 Hg1 Pb1",
"formula_reduced": "Tl2HgPb",
"formula_anonymous": "ABC2",
"energy": -5.41379928,
"energy_per_atom": -1.35344982,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.41379928,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.3393586,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:25.895000Z",
"spacegroup": 71
},
{
"id": "mp-973111",
"created_at": "2022-09-04T14:44:22.099458Z",
"structure_string": "In2\n1.0\n1.711259 -2.963987 0.000000\n1.711259 2.963987 0.000000\n0.000000 0.000000 5.576016\nIn\n2\ndirect\n0.333333 0.666667 0.250000 In\n0.666667 0.333333 0.750000 In\n",
"nsites": 2,
"nelements": 1,
"elements": [
"In"
],
"chemical_system": "In",
"density": 6.741290216018945,
"density_atomic": 0.03535769530814537,
"volume": 56.564772748048966,
"volume_molar": 17.032051177308144,
"formula_full": "In2",
"formula_reduced": "In",
"formula_anonymous": "A",
"energy": -5.4079664,
"energy_per_atom": -2.7039832,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.4079664,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.64e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:27.865000Z",
"spacegroup": 194
}
]
}