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=132",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-energy_uncorrected&page=130",
"results": [
{
"id": "mp-2249",
"created_at": "2022-09-04T14:47:57.382749Z",
"structure_string": "Ho1 Zn1\n1.0\n3.556776 0.000000 0.000000\n0.000000 3.556776 0.000000\n0.000000 0.000000 3.556776\nHo Zn\n1 1\ndirect\n0.000000 0.000000 0.000000 Ho\n0.500000 0.500000 0.500000 Zn\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ho",
"Zn"
],
"chemical_system": "Ho-Zn",
"density": 8.50056188089697,
"density_atomic": 0.044448841998441804,
"volume": 44.995547917088864,
"volume_molar": 13.5484761565017,
"formula_full": "Ho1 Zn1",
"formula_reduced": "HoZn",
"formula_anonymous": "AB",
"energy": -6.54301484,
"energy_per_atom": -3.27150742,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.54301484,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0800032,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:20.367000Z",
"spacegroup": 221
},
{
"id": "mp-22865",
"created_at": "2022-09-04T14:47:20.252778Z",
"structure_string": "Cs1 Cl1\n1.0\n4.209055 0.000000 0.000000\n0.000000 4.209055 0.000000\n0.000000 0.000000 4.209055\nCs Cl\n1 1\ndirect\n0.000000 0.000000 0.000000 Cs\n0.500000 0.500000 0.500000 Cl\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Cs",
"Cl"
],
"chemical_system": "Cl-Cs",
"density": 3.7491275756820572,
"density_atomic": 0.02682107579507542,
"volume": 74.56822445456186,
"volume_molar": 22.453017194432284,
"formula_full": "Cs1 Cl1",
"formula_reduced": "CsCl",
"formula_anonymous": "AB",
"energy": -7.15836149,
"energy_per_atom": -3.579180745,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.54436149,
"band_gap": 4.9884,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.000271,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:01.719000Z",
"spacegroup": 221
},
{
"id": "mp-1227062",
"created_at": "2022-09-04T14:46:10.065289Z",
"structure_string": "Ca1 Yb3\n1.0\n3.799807 -5.677303 0.000000\n3.799807 5.677303 0.000000\n0.000000 0.000000 3.792263\nCa Yb\n1 3\ndirect\n0.500000 0.500000 0.264281 Ca\n0.500000 0.000000 0.760573 Yb\n0.000000 0.500000 0.760573 Yb\n0.000000 0.000000 0.236001 Yb\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ca",
"Yb"
],
"chemical_system": "Ca-Yb",
"density": 5.675219334443493,
"density_atomic": 0.024447132992394868,
"volume": 163.61836789795922,
"volume_molar": 24.633321060074394,
"formula_full": "Ca1 Yb3",
"formula_reduced": "CaYb3",
"formula_anonymous": "AB3",
"energy": -6.54556895,
"energy_per_atom": -1.6363922375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.54556895,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 2.27e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:27.864000Z",
"spacegroup": 35
},
{
"id": "mp-22902",
"created_at": "2022-09-04T14:41:08.796659Z",
"structure_string": "Li1 Bi1\n1.0\n3.351644 0.000000 0.000000\n0.000000 3.351644 0.000000\n0.000000 0.000000 4.289800\nLi Bi\n1 1\ndirect\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Bi\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Li",
"Bi"
],
"chemical_system": "Bi-Li",
"density": 7.44032615465056,
"density_atomic": 0.04150277964027598,
"volume": 48.18954338323689,
"volume_molar": 14.510210670698957,
"formula_full": "Li1 Bi1",
"formula_reduced": "LiBi",
"formula_anonymous": "AB",
"energy": -6.54620771,
"energy_per_atom": -3.273103855,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.54620771,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000676,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:12.193000Z",
"spacegroup": 123
},
{
"id": "mp-23154",
"created_at": "2022-09-04T14:46:53.538476Z",
"structure_string": "Br4\n1.0\n2.129324 -4.226095 0.000000\n2.129324 4.226095 0.000000\n0.000000 0.000000 8.743796\nBr\n4\ndirect\n0.642473 0.642473 0.117751 Br\n0.357527 0.357527 0.882249 Br\n0.857527 0.857527 0.617751 Br\n0.142473 0.142473 0.382249 Br\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Br"
],
"chemical_system": "Br",
"density": 3.3726136434377976,
"density_atomic": 0.025418444754827914,
"volume": 157.36604023502463,
"volume_molar": 23.692011128478548,
"formula_full": "Br4",
"formula_reduced": "Br",
"formula_anonymous": "A",
"energy": -6.54773157,
"energy_per_atom": -1.6369328925,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.54773157,
"band_gap": 1.4095,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0009431,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:36.357000Z",
"spacegroup": 64
},
{
"id": "mp-1008489",
"created_at": "2022-09-04T14:47:28.639827Z",
"structure_string": "Cd1 N1\n1.0\n2.986837 0.000000 0.000000\n0.000000 2.986837 0.000000\n0.000000 0.000000 2.986837\nCd N\n1 1\ndirect\n0.000000 0.000000 0.000000 Cd\n0.500000 0.500000 0.500000 N\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Cd",
"N"
],
"chemical_system": "Cd-N",
"density": 7.878116782339816,
"density_atomic": 0.07505773037061107,
"volume": 26.64615610043948,
"volume_molar": 8.023345137488961,
"formula_full": "Cd1 N1",
"formula_reduced": "CdN",
"formula_anonymous": "AB",
"energy": -6.91200728,
"energy_per_atom": -3.45600364,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.55100728,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.0004466,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:08.227000Z",
"spacegroup": 221
},
{
"id": "mp-971944",
"created_at": "2022-09-04T14:45:20.342261Z",
"structure_string": "Sr1 Mg3\n1.0\n0.000000 3.847516 3.847516\n3.847516 0.000000 3.847516\n3.847516 3.847516 0.000000\nSr Mg\n1 3\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500000 0.500000 0.500000 Mg\n0.250000 0.250000 0.250000 Mg\n0.750000 0.750000 0.750000 Mg\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Sr",
"Mg"
],
"chemical_system": "Mg-Sr",
"density": 2.3401706628219388,
"density_atomic": 0.03511467814197875,
"volume": 113.91247796225979,
"volume_molar": 17.14992441522816,
"formula_full": "Sr1 Mg3",
"formula_reduced": "SrMg3",
"formula_anonymous": "AB3",
"energy": -6.55368117,
"energy_per_atom": -1.6384202925,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.55368117,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0025975,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:55.644000Z",
"spacegroup": 225
},
{
"id": "mp-1094297",
"created_at": "2022-09-04T14:45:28.082255Z",
"structure_string": "Sr3 Mg1\n1.0\n-2.158975 3.338585 6.455292\n2.158975 -3.338585 6.455292\n2.158975 3.338585 -6.455292\nSr Mg\n3 1\ndirect\n0.905076 0.500000 0.405076 Sr\n0.233969 0.284785 0.949184 Sr\n0.664399 0.715215 0.949184 Sr\n0.363222 0.000000 0.363222 Mg\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Sr",
"Mg"
],
"chemical_system": "Mg-Sr",
"density": 2.5620916990564546,
"density_atomic": 0.021491862667215793,
"volume": 186.11695328305333,
"volume_molar": 28.02056226232228,
"formula_full": "Sr3 Mg1",
"formula_reduced": "Sr3Mg",
"formula_anonymous": "AB3",
"energy": -6.55519441,
"energy_per_atom": -1.6387986025,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.55519441,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0117079,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:54.564000Z",
"spacegroup": 44
},
{
"id": "mp-1093746",
"created_at": "2022-09-04T14:39:08.717368Z",
"structure_string": "Na1 Ag2 Pd1\n1.0\n-5.482731 6.157979 8.715292\n5.482731 -6.157979 8.715292\n5.482731 6.157979 -8.715292\nNa Ag Pd\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Na\n0.000000 0.259842 0.259842 Ag\n0.000000 0.740158 0.740158 Ag\n0.000000 0.500000 0.500000 Pd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Na",
"Ag",
"Pd"
],
"chemical_system": "Ag-Na-Pd",
"density": 0.4869395826709787,
"density_atomic": 0.0033984658912378026,
"volume": 1177.0016613417015,
"volume_molar": 177.2017419838394,
"formula_full": "Na1 Ag2 Pd1",
"formula_reduced": "NaAg2Pd",
"formula_anonymous": "ABC2",
"energy": -6.5554605,
"energy_per_atom": -1.638865125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.5554605,
"band_gap": 0.0519999999999996,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.0000517,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:34.096000Z",
"spacegroup": 71
},
{
"id": "mp-1187930",
"created_at": "2022-09-04T14:42:12.515391Z",
"structure_string": "Yb2 Zn1 Hg1\n1.0\n0.000000 3.677181 3.677181\n3.677181 0.000000 3.677181\n3.677181 3.677181 0.000000\nYb Zn Hg\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Yb\n0.750000 0.750000 0.750000 Yb\n0.000000 0.000000 0.000000 Zn\n0.500000 0.500000 0.500000 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Yb",
"Zn",
"Hg"
],
"chemical_system": "Hg-Yb-Zn",
"density": 10.220721601660129,
"density_atomic": 0.040223973817262504,
"volume": 99.44318326607905,
"volume_molar": 14.971521181270113,
"formula_full": "Yb2 Zn1 Hg1",
"formula_reduced": "Yb2ZnHg",
"formula_anonymous": "ABC2",
"energy": -6.55661778,
"energy_per_atom": -1.639154445,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.55661778,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0043013,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:37.125000Z",
"spacegroup": 225
},
{
"id": "mp-974974",
"created_at": "2022-09-04T14:44:28.529128Z",
"structure_string": "Rb3 Mg3\n1.0\n5.018498 -5.970926 0.000000\n5.018498 5.970926 0.000000\n0.000000 0.000000 5.426578\nRb Mg\n3 3\ndirect\n0.896862 0.896862 0.500000 Rb\n0.437918 0.044655 0.000000 Rb\n0.044655 0.437918 0.000000 Rb\n0.651847 0.397743 0.500000 Mg\n0.570977 0.570977 0.000000 Mg\n0.397743 0.651847 0.500000 Mg\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Rb",
"Mg"
],
"chemical_system": "Mg-Rb",
"density": 1.6814873501652898,
"density_atomic": 0.01844929438322456,
"volume": 325.2156898453328,
"volume_molar": 32.64157769348495,
"formula_full": "Rb3 Mg3",
"formula_reduced": "RbMg",
"formula_anonymous": "AB",
"energy": -6.55921332,
"energy_per_atom": -1.09320222,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.55921332,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0017838,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:33.303000Z",
"spacegroup": 38
},
{
"id": "mp-980191",
"created_at": "2022-09-04T14:46:25.502471Z",
"structure_string": "Ba1 Sr1 Yb2\n1.0\n0.000000 4.618123 4.618123\n4.618123 0.000000 4.618123\n4.618123 4.618123 0.000000\nBa Sr Yb\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ba\n0.000000 0.000000 0.000000 Sr\n0.250000 0.250000 0.250000 Yb\n0.750000 0.750000 0.750000 Yb\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Sr",
"Yb"
],
"chemical_system": "Ba-Sr-Yb",
"density": 4.813702630091247,
"density_atomic": 0.020306426719023517,
"volume": 196.98197301511004,
"volume_molar": 29.656329216987857,
"formula_full": "Ba1 Sr1 Yb2",
"formula_reduced": "BaSrYb2",
"formula_anonymous": "ABC2",
"energy": -6.5597017,
"energy_per_atom": -1.639925425,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.5597017,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0037124,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:33.528000Z",
"spacegroup": 225
}
]
}