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=10239",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=energy&page=10237",
"results": [
{
"id": "mp-1112518",
"created_at": "2022-09-04T14:42:10.245852Z",
"structure_string": "Cs2 Rb1 Ga1 Br6\n1.0\n0.000000 5.854788 5.854788\n5.854788 0.000000 5.854788\n5.854788 5.854788 0.000000\nCs Rb Ga Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Ga\n0.780027 0.219973 0.219973 Br\n0.219973 0.219973 0.780027 Br\n0.219973 0.780027 0.780027 Br\n0.219973 0.780027 0.219973 Br\n0.780027 0.219973 0.780027 Br\n0.780027 0.780027 0.219973 Br\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Cs",
"Rb",
"Ga",
"Br"
],
"chemical_system": "Br-Cs-Ga-Rb",
"density": 3.725061641124599,
"density_atomic": 0.024913599706904828,
"volume": 401.3871988650637,
"volume_molar": 24.172102108275258,
"formula_full": "Cs2 Rb1 Ga1 Br6",
"formula_reduced": "Cs2RbGaBr6",
"formula_anonymous": "ABC2D6",
"energy": -32.5920318,
"energy_per_atom": -3.25920318,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -29.3880318,
"band_gap": 2.1605,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0010721,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:43.088000Z",
"spacegroup": 225
},
{
"id": "mp-1222370",
"created_at": "2022-09-04T14:46:25.269155Z",
"structure_string": "Li1 Gd1 S2\n1.0\n6.263298 -1.981534 0.000000\n6.263298 1.981534 0.000000\n5.636395 0.000000 3.374377\nLi Gd S\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Gd\n0.249734 0.249734 0.249734 S\n0.750266 0.750266 0.750266 S\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Gd",
"S"
],
"chemical_system": "Gd-Li-S",
"density": 4.526544075906633,
"density_atomic": 0.04775642291488592,
"volume": 83.75836706046884,
"volume_molar": 12.610116906647269,
"formula_full": "Li1 Gd1 S2",
"formula_reduced": "LiGdS2",
"formula_anonymous": "ABC2",
"energy": -32.59183637,
"energy_per_atom": -8.1479590925,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -31.58583637,
"band_gap": 1.6532000000000004,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 7.002655,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:40.097000Z",
"spacegroup": 166
},
{
"id": "mp-1216306",
"created_at": "2022-09-04T14:47:08.621628Z",
"structure_string": "U1 Co1 Cu1 Ge2\n1.0\n-2.016763 2.016763 4.922761\n2.016763 -2.016763 4.922761\n2.016763 2.016763 -4.922761\nU Co Cu Ge\n1 1 1 2\ndirect\n0.000000 0.000000 0.000000 U\n0.250000 0.750000 0.500000 Co\n0.750000 0.250000 0.500000 Cu\n0.623352 0.623352 0.000000 Ge\n0.376648 0.376648 0.000000 Ge\n",
"nsites": 5,
"nelements": 4,
"elements": [
"U",
"Co",
"Cu",
"Ge"
],
"chemical_system": "Co-Cu-Ge-U",
"density": 10.486709469375548,
"density_atomic": 0.06242974076627266,
"volume": 80.0900330295977,
"volume_molar": 9.646269047545733,
"formula_full": "U1 Co1 Cu1 Ge2",
"formula_reduced": "UCoCuGe2",
"formula_anonymous": "ABCD2",
"energy": -32.5917965,
"energy_per_atom": -6.5183593,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.5917965,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.4533955,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:58.108000Z",
"spacegroup": 119
},
{
"id": "mp-1018065",
"created_at": "2022-09-04T14:48:08.974988Z",
"structure_string": "Dy1 Fe1 C2\n1.0\n2.269784 -2.956435 0.000000\n2.269784 2.956435 0.000000\n0.000000 0.000000 3.635568\nDy Fe C\n1 1 2\ndirect\n0.004670 0.995330 0.000000 Dy\n0.613237 0.386763 0.500000 Fe\n0.453329 0.856235 0.500000 C\n0.143765 0.546671 0.500000 C\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Dy",
"Fe",
"C"
],
"chemical_system": "C-Dy-Fe",
"density": 8.24833661832066,
"density_atomic": 0.08197942316848411,
"volume": 48.792731705115806,
"volume_molar": 7.345917459828056,
"formula_full": "Dy1 Fe1 C2",
"formula_reduced": "DyFeC2",
"formula_anonymous": "ABC2",
"energy": -32.59161136,
"energy_per_atom": -8.14790284,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.59161136,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.994026,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:30.405000Z",
"spacegroup": 38
},
{
"id": "mp-1181331",
"created_at": "2022-09-04T14:46:52.689141Z",
"structure_string": "Ga1 Cu3 Hg1 Se4\n1.0\n5.935346 0.000000 0.000000\n0.000000 5.935346 0.000000\n0.000000 0.000000 5.935346\nGa Cu Hg Se\n1 3 1 4\ndirect\n0.000000 0.000000 0.000000 Ga\n0.000000 0.500000 0.000000 Cu\n0.000000 0.000000 0.500000 Cu\n0.500000 0.000000 0.000000 Cu\n0.500000 0.500000 0.500000 Hg\n0.238738 0.238738 0.238738 Se\n0.761262 0.761262 0.238738 Se\n0.238738 0.761262 0.761262 Se\n0.761262 0.238738 0.761262 Se\n",
"nsites": 9,
"nelements": 4,
"elements": [
"Ga",
"Cu",
"Hg",
"Se"
],
"chemical_system": "Cu-Ga-Hg-Se",
"density": 6.169005524199783,
"density_atomic": 0.04304318364387387,
"volume": 209.09234025213482,
"volume_molar": 13.990927831512998,
"formula_full": "Ga1 Cu3 Hg1 Se4",
"formula_reduced": "GaCu3HgSe4",
"formula_anonymous": "ABC3D4",
"energy": -32.58909513,
"energy_per_atom": -3.6210105699999997,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -30.70109513,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0009733,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:35.699000Z",
"spacegroup": 215
},
{
"id": "mp-11155",
"created_at": "2022-09-04T14:48:06.586818Z",
"structure_string": "Nd3 Mg3 Ga3\n1.0\n3.741629 -6.480692 0.000000\n3.741629 6.480692 0.000000\n0.000000 0.000000 4.541026\nNd Mg Ga\n3 3 3\ndirect\n0.000000 0.422770 0.000000 Nd\n0.577230 0.577230 0.000000 Nd\n0.422770 0.000000 0.000000 Nd\n0.000000 0.757231 0.500000 Mg\n0.242769 0.242769 0.500000 Mg\n0.757231 0.000000 0.500000 Mg\n0.666667 0.333333 0.500000 Ga\n0.333333 0.666667 0.500000 Ga\n0.000000 0.000000 0.000000 Ga\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Nd",
"Mg",
"Ga"
],
"chemical_system": "Ga-Mg-Nd",
"density": 5.389812138115953,
"density_atomic": 0.04086734466392038,
"volume": 220.2247313597946,
"volume_molar": 14.735825900909658,
"formula_full": "Nd3 Mg3 Ga3",
"formula_reduced": "NdMgGa",
"formula_anonymous": "ABC",
"energy": -32.58861786,
"energy_per_atom": -3.62095754,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.58861786,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0011532,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:31.845000Z",
"spacegroup": 189
},
{
"id": "mp-1222956",
"created_at": "2022-09-04T14:47:27.028674Z",
"structure_string": "La1 Al1 Cu1 Ni3\n1.0\n4.071325 0.000000 0.000000\n0.000000 5.028146 0.000000\n0.000000 2.441962 4.490235\nLa Al Cu Ni\n1 1 1 3\ndirect\n0.000000 0.500000 0.500000 La\n0.500000 0.000000 0.000000 Al\n0.500000 0.000000 0.500000 Cu\n0.000000 0.167706 0.162711 Ni\n0.000000 0.832294 0.837289 Ni\n0.500000 0.500000 0.000000 Ni\n",
"nsites": 6,
"nelements": 4,
"elements": [
"La",
"Al",
"Cu",
"Ni"
],
"chemical_system": "Al-Cu-La-Ni",
"density": 7.325569280038882,
"density_atomic": 0.0652737446246106,
"volume": 91.92057288127116,
"volume_molar": 9.225977143847562,
"formula_full": "La1 Al1 Cu1 Ni3",
"formula_reduced": "LaAlCuNi3",
"formula_anonymous": "ABCD3",
"energy": -32.58859158,
"energy_per_atom": -5.43143193,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.58859158,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001302,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:11.412000Z",
"spacegroup": 10
},
{
"id": "mp-1026720",
"created_at": "2022-09-04T14:46:59.612128Z",
"structure_string": "Ce1 Mg14 Bi1\n1.0\n6.527915 0.074294 0.000000\n-3.199617 5.541899 0.000000\n0.000000 0.000000 10.386302\nCe Mg Bi\n1 14 1\ndirect\n0.168977 0.334488 0.125000 Ce\n0.164006 0.332003 0.625000 Mg\n0.162873 0.831436 0.625000 Mg\n0.665617 0.326687 0.125000 Mg\n0.667313 0.334781 0.625000 Mg\n0.665617 0.838929 0.125000 Mg\n0.667313 0.832531 0.625000 Mg\n0.338444 0.170446 0.386529 Mg\n0.338444 0.170446 0.863471 Mg\n0.338444 0.668000 0.386529 Mg\n0.338444 0.668000 0.863471 Mg\n0.830817 0.165409 0.381248 Mg\n0.830817 0.165409 0.868752 Mg\n0.825958 0.662979 0.374447 Mg\n0.825958 0.662979 0.875553 Mg\n0.170957 0.835478 0.125000 Bi\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Ce",
"Mg",
"Bi"
],
"chemical_system": "Bi-Ce-Mg",
"density": 3.026640474172841,
"density_atomic": 0.04230401707232799,
"volume": 378.21467338774215,
"volume_molar": 14.23538750399006,
"formula_full": "Ce1 Mg14 Bi1",
"formula_reduced": "CeMg14Bi",
"formula_anonymous": "ABC14",
"energy": -32.58799778,
"energy_per_atom": -2.03674986125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.58799778,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.3225569,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:45.485000Z",
"spacegroup": 38
},
{
"id": "mp-1112160",
"created_at": "2022-09-04T14:43:18.381529Z",
"structure_string": "K2 In1 Cu1 Br6\n1.0\n0.000000 5.390759 5.390759\n5.390759 0.000000 5.390759\n5.390759 5.390759 0.000000\nK In Cu Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 In\n0.500000 0.500000 0.500000 Cu\n0.745006 0.254994 0.254994 Br\n0.254994 0.254994 0.745006 Br\n0.254994 0.745006 0.745006 Br\n0.254994 0.745006 0.254994 Br\n0.745006 0.254994 0.745006 Br\n0.745006 0.745006 0.254994 Br\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"In",
"Cu",
"Br"
],
"chemical_system": "Br-Cu-In-K",
"density": 3.900659840137927,
"density_atomic": 0.03191686704084222,
"volume": 313.31395989473407,
"volume_molar": 18.868207685590836,
"formula_full": "K2 In1 Cu1 Br6",
"formula_reduced": "K2InCuBr6",
"formula_anonymous": "ABC2D6",
"energy": -32.58785458,
"energy_per_atom": -3.2587854579999997,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -29.38385458,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004361,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:05.203000Z",
"spacegroup": 225
},
{
"id": "mp-27834",
"created_at": "2022-09-04T14:46:39.746087Z",
"structure_string": "Tl2 Pt1 Cl6\n1.0\n0.000000 5.054272 5.054272\n5.054272 0.000000 5.054272\n5.054272 5.054272 0.000000\nTl Pt Cl\n2 1 6\ndirect\n0.750000 0.750000 0.750000 Tl\n0.250000 0.250000 0.250000 Tl\n0.000000 0.000000 0.000000 Pt\n0.232011 0.232011 0.767989 Cl\n0.232011 0.767989 0.767989 Cl\n0.767989 0.232011 0.232011 Cl\n0.232011 0.767989 0.232011 Cl\n0.767989 0.232011 0.767989 Cl\n0.767989 0.767989 0.232011 Cl\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Tl",
"Pt",
"Cl"
],
"chemical_system": "Cl-Pt-Tl",
"density": 5.25092659444254,
"density_atomic": 0.03485272048763497,
"volume": 258.22948321044305,
"volume_molar": 17.278825514170496,
"formula_full": "Tl2 Pt1 Cl6",
"formula_reduced": "Tl2PtCl6",
"formula_anonymous": "AB2C6",
"energy": -32.58699389,
"energy_per_atom": -3.620777098888889,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -28.902993890000005,
"band_gap": 1.7373999999999998,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001463,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:46.796000Z",
"spacegroup": 225
},
{
"id": "mp-999122",
"created_at": "2022-09-04T14:47:08.385282Z",
"structure_string": "Tb1 Fe1 C2\n1.0\n2.274397 -2.957084 0.000000\n2.274397 2.957084 0.000000\n0.000000 0.000000 3.681907\nTb Fe C\n1 1 2\ndirect\n0.005028 0.994972 0.000000 Tb\n0.613066 0.386934 0.500000 Fe\n0.453201 0.856295 0.500000 C\n0.143705 0.546799 0.500000 C\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Tb",
"Fe",
"C"
],
"chemical_system": "C-Fe-Tb",
"density": 8.006370255475712,
"density_atomic": 0.08076575287347933,
"volume": 49.5259420941207,
"volume_molar": 7.456304864060101,
"formula_full": "Tb1 Fe1 C2",
"formula_reduced": "TbFeC2",
"formula_anonymous": "ABC2",
"energy": -32.58619916,
"energy_per_atom": -8.14654979,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.58619916,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.9867766,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:58.112000Z",
"spacegroup": 38
},
{
"id": "mp-625656",
"created_at": "2022-09-04T14:48:15.341632Z",
"structure_string": "Mn1 H2 O2\n1.0\n1.803382 -3.123548 0.000000\n1.803382 3.123548 0.000000\n0.000000 0.000000 4.467537\nMn H O\n1 2 2\ndirect\n0.333333 0.666667 0.977243 Mn\n0.000000 0.000000 0.017037 H\n0.666667 0.333333 0.425462 H\n0.000000 0.000000 0.795794 O\n0.666667 0.333333 0.206939 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Mn",
"H",
"O"
],
"chemical_system": "H-Mn-O",
"density": 2.9347714528407156,
"density_atomic": 0.09934269463664049,
"volume": 50.33082722678487,
"volume_molar": 6.061986522538779,
"formula_full": "Mn1 H2 O2",
"formula_reduced": "Mn(HO)2",
"formula_anonymous": "AB2C2",
"energy": -32.58539842,
"energy_per_atom": -6.517079684,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -29.54339842,
"band_gap": 1.734,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.0001617,
"is_theoretical": true,
"updated_at": "2021-11-28T01:40:03.569000Z",
"spacegroup": 156
}
]
}