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=12161",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=energy&page=12159",
"results": [
{
"id": "mp-1180797",
"created_at": "2022-09-04T14:46:24.262692Z",
"structure_string": "Mg8 Si4\n1.0\n10.735539 0.000000 0.000000\n0.000000 19.942582 0.000000\n0.000000 0.000000 23.156593\nMg Si\n8 4\ndirect\n0.250000 0.525458 0.340049 Mg\n0.250000 0.025458 0.159951 Mg\n0.750000 0.474542 0.659951 Mg\n0.750000 0.974542 0.840049 Mg\n0.250000 0.646503 0.234492 Mg\n0.250000 0.146503 0.265508 Mg\n0.750000 0.353497 0.765508 Mg\n0.750000 0.853497 0.734492 Mg\n0.250000 0.752820 0.624833 Si\n0.250000 0.252820 0.875167 Si\n0.750000 0.247180 0.375167 Si\n0.750000 0.747180 0.124833 Si\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Mg",
"Si"
],
"chemical_system": "Mg-Si",
"density": 0.10275407850777936,
"density_atomic": 0.0024204791336588792,
"volume": 4957.696116082764,
"volume_molar": 248.79953213629756,
"formula_full": "Mg8 Si4",
"formula_reduced": "Mg2Si",
"formula_anonymous": "AB2",
"energy": -3.5020612900000003,
"energy_per_atom": -0.2918384408333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.78606129,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 8.1378551,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:38.005000Z",
"spacegroup": 62
},
{
"id": "mp-527",
"created_at": "2022-09-04T14:45:27.532789Z",
"structure_string": "Ba1 Cd1\n1.0\n4.279698 0.000000 0.000000\n0.000000 4.279698 0.000000\n0.000000 0.000000 4.279698\nBa Cd\n1 1\ndirect\n0.000000 0.000000 0.000000 Ba\n0.500000 0.500000 0.500000 Cd\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ba",
"Cd"
],
"chemical_system": "Ba-Cd",
"density": 5.290471211624134,
"density_atomic": 0.02551470928263893,
"volume": 78.3861567006318,
"volume_molar": 23.602623464331096,
"formula_full": "Ba1 Cd1",
"formula_reduced": "BaCd",
"formula_anonymous": "AB",
"energy": -3.49740878,
"energy_per_atom": -1.74870439,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.49740878,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 7.8e-06,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:10.060000Z",
"spacegroup": 221
},
{
"id": "mp-1039368",
"created_at": "2022-09-04T14:39:14.646569Z",
"structure_string": "Ca1 Mg1\n1.0\n5.750650 -1.828749 0.000000\n5.750650 1.828749 0.000000\n5.169094 0.000000 3.113641\nCa Mg\n1 1\ndirect\n0.000000 0.000000 0.000000 Ca\n0.500000 0.500000 0.500000 Mg\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ca",
"Mg"
],
"chemical_system": "Ca-Mg",
"density": 1.6324907756795282,
"density_atomic": 0.030539394697175083,
"volume": 65.48918273697814,
"volume_molar": 19.719253834972218,
"formula_full": "Ca1 Mg1",
"formula_reduced": "CaMg",
"formula_anonymous": "AB",
"energy": -3.49635081,
"energy_per_atom": -1.748175405,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.49635081,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0079476,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:31.540000Z",
"spacegroup": 166
},
{
"id": "mp-1038961",
"created_at": "2022-09-04T14:45:34.886534Z",
"structure_string": "Ca1 Mg1\n1.0\n1.834059 -3.176684 0.000000\n1.834059 3.176684 0.000000\n0.000000 0.000000 5.622298\nCa Mg\n1 1\ndirect\n0.000000 0.000000 0.500000 Ca\n0.666667 0.333333 0.000000 Mg\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ca",
"Mg"
],
"chemical_system": "Ca-Mg",
"density": 1.6318834280746315,
"density_atomic": 0.030528032900526275,
"volume": 65.51355622934754,
"volume_molar": 19.72659286506529,
"formula_full": "Ca1 Mg1",
"formula_reduced": "CaMg",
"formula_anonymous": "AB",
"energy": -3.49333957,
"energy_per_atom": -1.746669785,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.49333957,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0052422,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:05.960000Z",
"spacegroup": 187
},
{
"id": "mp-1215602",
"created_at": "2022-09-04T14:46:29.432898Z",
"structure_string": "Zn3 Hg1\n1.0\n2.873532 0.000000 0.000000\n1.436766 2.476386 0.000000\n0.000000 0.000000 10.479848\nZn Hg\n3 1\ndirect\n0.664530 0.670939 0.625000 Zn\n0.342488 0.315025 0.414674 Zn\n0.342488 0.315025 0.835326 Zn\n0.650495 0.699011 0.125000 Hg\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Zn",
"Hg"
],
"chemical_system": "Hg-Zn",
"density": 8.835883991558267,
"density_atomic": 0.053637759626813476,
"volume": 74.57433024477784,
"volume_molar": 11.227427845419435,
"formula_full": "Zn3 Hg1",
"formula_reduced": "Zn3Hg",
"formula_anonymous": "AB3",
"energy": -3.49296271,
"energy_per_atom": -0.8732406775,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.49296271,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0041322,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:36.406000Z",
"spacegroup": 38
},
{
"id": "mp-976599",
"created_at": "2022-09-04T14:40:57.043494Z",
"structure_string": "Li1 Hg3\n1.0\n4.537367 0.000000 0.000000\n0.000000 4.537367 0.000000\n0.000000 0.000000 4.537367\nLi Hg\n1 3\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.500000 Hg\n0.500000 0.000000 0.500000 Hg\n0.500000 0.500000 0.000000 Hg\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Li",
"Hg"
],
"chemical_system": "Hg-Li",
"density": 10.82052974053715,
"density_atomic": 0.042820158149138005,
"volume": 93.4139473765704,
"volume_molar": 14.063798501223491,
"formula_full": "Li1 Hg3",
"formula_reduced": "LiHg3",
"formula_anonymous": "AB3",
"energy": -3.4920656,
"energy_per_atom": -0.8730164,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.4920656,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0013111,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:59.453000Z",
"spacegroup": 221
},
{
"id": "mp-1039275",
"created_at": "2022-09-04T14:45:00.119908Z",
"structure_string": "Ca1 Zn1\n1.0\n3.013921 -2.449982 0.000000\n3.013921 2.449982 0.000000\n1.022358 0.000000 3.747121\nCa Zn\n1 1\ndirect\n0.000000 0.000000 0.000000 Ca\n0.500000 0.500000 0.500000 Zn\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ca",
"Zn"
],
"chemical_system": "Ca-Zn",
"density": 3.165377913303534,
"density_atomic": 0.036141612443422406,
"volume": 55.337874123100725,
"volume_molar": 16.662623366423706,
"formula_full": "Ca1 Zn1",
"formula_reduced": "CaZn",
"formula_anonymous": "AB",
"energy": -3.4821986,
"energy_per_atom": -1.7410993,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.4821986,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0022428,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:48.201000Z",
"spacegroup": 166
},
{
"id": "mp-639727",
"created_at": "2022-09-04T14:42:26.535587Z",
"structure_string": "Cs4\n1.0\n2.737034 -4.740682 0.000000\n2.737034 4.740682 0.000000\n0.000000 0.000000 17.755878\nCs\n4\ndirect\n0.000000 0.000000 0.000000 Cs\n0.333333 0.666667 0.250000 Cs\n0.000000 0.000000 0.500000 Cs\n0.666667 0.333333 0.750000 Cs\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Cs"
],
"chemical_system": "Cs",
"density": 1.9158377244386975,
"density_atomic": 0.008680941442910832,
"volume": 460.7795164044728,
"volume_molar": 69.37197767781161,
"formula_full": "Cs4",
"formula_reduced": "Cs",
"formula_anonymous": "A",
"energy": -3.47676184,
"energy_per_atom": -0.86919046,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.47676184,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0110273,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:45.431000Z",
"spacegroup": 194
},
{
"id": "mp-1183943",
"created_at": "2022-09-04T14:39:31.538412Z",
"structure_string": "Cs3 Yb1\n1.0\n7.108280 0.000000 0.000000\n0.000000 7.108280 0.000000\n0.000000 0.000000 7.108280\nCs Yb\n3 1\ndirect\n0.000000 0.500000 0.500000 Cs\n0.500000 0.000000 0.500000 Cs\n0.500000 0.500000 0.000000 Cs\n0.000000 0.000000 0.000000 Yb\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Cs",
"Yb"
],
"chemical_system": "Cs-Yb",
"density": 2.643422112232733,
"density_atomic": 0.01113695363051883,
"volume": 359.16464526158353,
"volume_molar": 54.07350124451808,
"formula_full": "Cs3 Yb1",
"formula_reduced": "Cs3Yb",
"formula_anonymous": "AB3",
"energy": -3.46184103,
"energy_per_atom": -0.8654602575,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.46184103,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0641004,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:30.269000Z",
"spacegroup": 221
},
{
"id": "mp-1096324",
"created_at": "2022-09-04T14:42:52.411171Z",
"structure_string": "Mg2 Cd1 Pb1\n1.0\n-5.631653 6.211150 8.780678\n5.631653 -6.211150 8.780678\n5.631653 6.211150 -8.780678\nMg Cd Pb\n2 1 1\ndirect\n0.000000 0.251134 0.251134 Mg\n0.000000 0.748866 0.748866 Mg\n0.000000 0.000000 0.000000 Cd\n0.000000 0.500000 0.500000 Pb\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mg",
"Cd",
"Pb"
],
"chemical_system": "Cd-Mg-Pb",
"density": 0.4976931952973727,
"density_atomic": 0.0032558474159927967,
"volume": 1228.558801727596,
"volume_molar": 184.96385089851287,
"formula_full": "Mg2 Cd1 Pb1",
"formula_reduced": "Mg2CdPb",
"formula_anonymous": "ABC2",
"energy": -3.45331789,
"energy_per_atom": -0.8633294725,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.45331789,
"band_gap": 0.4485999999999999,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 1.9999953,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:51.869000Z",
"spacegroup": 71
},
{
"id": "mp-1703",
"created_at": "2022-09-04T14:45:06.391769Z",
"structure_string": "Yb1 Zn1\n1.0\n3.611772 0.000000 0.000000\n0.000000 3.611772 0.000000\n0.000000 0.000000 3.611772\nYb Zn\n1 1\ndirect\n0.000000 0.000000 0.000000 Yb\n0.500000 0.500000 0.500000 Zn\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Yb",
"Zn"
],
"chemical_system": "Yb-Zn",
"density": 8.40395314491253,
"density_atomic": 0.0424491516396358,
"volume": 47.11519365519078,
"volume_molar": 14.18671640631089,
"formula_full": "Yb1 Zn1",
"formula_reduced": "YbZn",
"formula_anonymous": "AB",
"energy": -3.45236542,
"energy_per_atom": -1.72618271,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.45236542,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0012455,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:46.479000Z",
"spacegroup": 221
},
{
"id": "mp-1096141",
"created_at": "2022-09-04T14:39:44.327040Z",
"structure_string": "Sr2 Li1 Ga1\n1.0\n-6.343284 6.716797 8.963921\n6.343284 -6.716797 8.963921\n6.343284 6.716797 -8.963921\nSr Li Ga\n2 1 1\ndirect\n0.265312 0.000000 0.265311 Sr\n0.734689 0.000000 0.734689 Sr\n0.000000 0.000000 0.000000 Li\n0.500000 0.000000 0.500000 Ga\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sr",
"Li",
"Ga"
],
"chemical_system": "Ga-Li-Sr",
"density": 0.2738102933860131,
"density_atomic": 0.002618337348954047,
"volume": 1527.6870268828761,
"volume_molar": 229.9986578278646,
"formula_full": "Sr2 Li1 Ga1",
"formula_reduced": "Sr2LiGa",
"formula_anonymous": "ABC2",
"energy": -3.44992345,
"energy_per_atom": -0.8624808625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.44992345,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9997779,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:31.127000Z",
"spacegroup": 71
}
]
}