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=density&page=12095",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=density&page=12093",
"results": [
{
"id": "mp-1178665",
"created_at": "2022-09-04T14:45:04.796895Z",
"structure_string": "Zn6 B6 Ir11\n1.0\n2.886379 0.000000 0.000000\n0.000000 8.647542 0.000000\n0.000000 0.000000 11.540150\nZn B Ir\n6 6 11\ndirect\n0.500000 0.000000 0.500000 Zn\n0.500000 0.500000 0.000000 Zn\n0.500000 0.648056 0.500000 Zn\n0.500000 0.351944 0.500000 Zn\n0.500000 0.000000 0.205782 Zn\n0.500000 0.000000 0.794218 Zn\n0.500000 0.805400 0.000000 B\n0.500000 0.194600 0.000000 B\n0.500000 0.683711 0.268782 B\n0.500000 0.316289 0.268782 B\n0.500000 0.316289 0.731218 B\n0.500000 0.683711 0.731218 B\n0.000000 0.000000 0.000000 Ir\n0.000000 0.500000 0.317889 Ir\n0.000000 0.500000 0.682111 Ir\n0.000000 0.710808 0.123078 Ir\n0.000000 0.289192 0.123078 Ir\n0.000000 0.289192 0.876922 Ir\n0.000000 0.710808 0.876922 Ir\n0.000000 0.826009 0.354807 Ir\n0.000000 0.173991 0.354807 Ir\n0.000000 0.173991 0.645193 Ir\n0.000000 0.826009 0.645193 Ir\n",
"nsites": 23,
"nelements": 3,
"elements": [
"Zn",
"B",
"Ir"
],
"chemical_system": "B-Ir-Zn",
"density": 14.825627853343018,
"density_atomic": 0.07984915893756293,
"volume": 288.0431091075683,
"volume_molar": 7.541896295625279,
"formula_full": "Zn6 B6 Ir11",
"formula_reduced": "Zn6B6Ir11",
"formula_anonymous": "A6B6C11",
"energy": -151.11020406,
"energy_per_atom": -6.570008872173913,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -151.11020406,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0056075,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:48.717000Z",
"spacegroup": 47
},
{
"id": "mp-1186815",
"created_at": "2022-09-04T14:47:21.070284Z",
"structure_string": "Pu3 I1\n1.0\n-2.242580 2.242580 4.781958\n2.242580 -2.242580 4.781958\n2.242580 2.242580 -4.781958\nPu I\n3 1\ndirect\n0.750000 0.250000 0.500000 Pu\n0.250000 0.750000 0.500000 Pu\n0.500000 0.500000 0.000000 Pu\n0.000000 0.000000 0.000000 I\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Pu",
"I"
],
"chemical_system": "I-Pu",
"density": 14.826284256755992,
"density_atomic": 0.041581327792047415,
"volume": 96.19702429908972,
"volume_molar": 14.482800525556465,
"formula_full": "Pu3 I1",
"formula_reduced": "Pu3I",
"formula_anonymous": "AB3",
"energy": -44.08542858,
"energy_per_atom": -11.021357145,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -43.70642858,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 16.6274734,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:05.070000Z",
"spacegroup": 139
},
{
"id": "mp-21316",
"created_at": "2022-09-04T14:46:14.604165Z",
"structure_string": "Ta4 Si4 Ir4\n1.0\n3.814279 0.000000 0.000000\n0.000000 6.431281 0.000000\n0.000000 0.000000 7.327521\nTa Si Ir\n4 4 4\ndirect\n0.750000 0.524226 0.827822 Ta\n0.250000 0.975774 0.327822 Ta\n0.750000 0.024226 0.672178 Ta\n0.250000 0.475774 0.172178 Ta\n0.250000 0.232601 0.876019 Si\n0.250000 0.732601 0.623981 Si\n0.750000 0.767399 0.123981 Si\n0.750000 0.267399 0.376019 Si\n0.250000 0.854614 0.935104 Ir\n0.250000 0.354614 0.564896 Ir\n0.750000 0.645386 0.435104 Ir\n0.750000 0.145386 0.064896 Ir\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Ta",
"Si",
"Ir"
],
"chemical_system": "Ir-Si-Ta",
"density": 14.827144886728759,
"density_atomic": 0.06675967779094835,
"volume": 179.74921984460246,
"volume_molar": 9.020625861703179,
"formula_full": "Ta4 Si4 Ir4",
"formula_reduced": "TaSiIr",
"formula_anonymous": "ABC",
"energy": -114.3283356,
"energy_per_atom": -9.5273613,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -114.3283356,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 5.92e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:24.016000Z",
"spacegroup": 62
},
{
"id": "mp-1185969",
"created_at": "2022-09-04T14:47:05.976260Z",
"structure_string": "Mg1 Np3\n1.0\n-2.191898 2.191898 4.283176\n2.191898 -2.191898 4.283176\n2.191898 2.191898 -4.283176\nMg Np\n1 3\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.000000 Np\n0.750000 0.250000 0.500000 Np\n0.250000 0.750000 0.500000 Np\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Mg",
"Np"
],
"chemical_system": "Mg-Np",
"density": 14.833718193235523,
"density_atomic": 0.048595202798679724,
"volume": 82.31265165352238,
"volume_molar": 12.392459364658963,
"formula_full": "Mg1 Np3",
"formula_reduced": "MgNp3",
"formula_anonymous": "AB3",
"energy": -37.77204326,
"energy_per_atom": -9.443010815,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -37.77204326,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 8.5838571,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:53.771000Z",
"spacegroup": 139
},
{
"id": "mp-1187388",
"created_at": "2022-09-04T14:44:29.095069Z",
"structure_string": "Tb1 Tm1 Ir2\n1.0\n0.000000 3.415196 3.415196\n3.415196 0.000000 3.415196\n3.415196 3.415196 0.000000\nTb Tm Ir\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Tb\n0.000000 0.000000 0.000000 Tm\n0.250000 0.250000 0.250000 Ir\n0.750000 0.750000 0.750000 Ir\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Tb",
"Tm",
"Ir"
],
"chemical_system": "Ir-Tb-Tm",
"density": 14.846744002806256,
"density_atomic": 0.05020917625226486,
"volume": 79.6667123137589,
"volume_molar": 11.994103885997033,
"formula_full": "Tb1 Tm1 Ir2",
"formula_reduced": "TbTmIr2",
"formula_anonymous": "ABC2",
"energy": -30.23974958,
"energy_per_atom": -7.559937395,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -30.23974958,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001672,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:32.671000Z",
"spacegroup": 225
},
{
"id": "mp-1005727",
"created_at": "2022-09-04T14:40:05.460485Z",
"structure_string": "Tm1 Np3\n1.0\n4.616898 0.000000 0.000000\n0.000000 4.616898 0.000000\n0.000000 0.000000 4.616898\nTm Np\n1 3\ndirect\n0.000000 0.000000 0.000000 Tm\n0.000000 0.500000 0.500000 Np\n0.500000 0.000000 0.500000 Np\n0.500000 0.500000 0.000000 Np\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Tm",
"Np"
],
"chemical_system": "Np-Tm",
"density": 14.847333381317231,
"density_atomic": 0.04064518940062042,
"volume": 98.41263035027075,
"volume_molar": 14.816367813279463,
"formula_full": "Tm1 Np3",
"formula_reduced": "TmNp3",
"formula_anonymous": "AB3",
"energy": -40.635347,
"energy_per_atom": -10.15883675,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -40.635347,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 12.1595278,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:49.340000Z",
"spacegroup": 221
},
{
"id": "mp-20226",
"created_at": "2022-09-04T14:41:31.920803Z",
"structure_string": "U4 Ge4 Ir4\n1.0\n4.367500 0.000000 0.000000\n0.000000 6.675572 0.000000\n0.000000 0.000000 7.715411\nU Ge Ir\n4 4 4\ndirect\n0.250000 0.491819 0.203209 U\n0.750000 0.508181 0.796791 U\n0.250000 0.991819 0.296791 U\n0.750000 0.008181 0.703209 U\n0.250000 0.819361 0.915588 Ge\n0.750000 0.180639 0.084412 Ge\n0.250000 0.319361 0.584412 Ge\n0.750000 0.680639 0.415588 Ge\n0.750000 0.771287 0.085927 Ir\n0.250000 0.228713 0.914073 Ir\n0.750000 0.271287 0.414073 Ir\n0.250000 0.728713 0.585927 Ir\n",
"nsites": 12,
"nelements": 3,
"elements": [
"U",
"Ge",
"Ir"
],
"chemical_system": "Ge-Ir-U",
"density": 14.849030266667116,
"density_atomic": 0.053345867522678676,
"volume": 224.94713381310177,
"volume_molar": 11.288860861508788,
"formula_full": "U4 Ge4 Ir4",
"formula_reduced": "UGeIr",
"formula_anonymous": "ABC",
"energy": -106.08401817,
"energy_per_atom": -8.8403348475,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -106.08401817,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.811992,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:22.997000Z",
"spacegroup": 62
},
{
"id": "mp-1194204",
"created_at": "2022-09-04T14:46:58.144964Z",
"structure_string": "Hf18 Fe2 Re8\n1.0\n0.000000 0.000000 -8.425345\n-4.294086 -7.439390 0.000000\n-4.294086 7.439390 0.000000\nHf Fe Re\n18 2 8\ndirect\n0.558206 0.799703 0.599370 Hf\n0.558270 0.799662 0.200338 Hf\n0.558206 0.400630 0.200297 Hf\n0.441794 0.200297 0.400630 Hf\n0.441730 0.200338 0.799662 Hf\n0.441794 0.599370 0.799703 Hf\n0.058206 0.200297 0.400630 Hf\n0.058270 0.200338 0.799662 Hf\n0.058206 0.599370 0.799703 Hf\n0.941794 0.799703 0.599370 Hf\n0.941730 0.799662 0.200338 Hf\n0.941794 0.400630 0.200297 Hf\n0.750000 0.460657 0.921359 Hf\n0.750000 0.460628 0.539372 Hf\n0.750000 0.078641 0.539342 Hf\n0.250000 0.539342 0.078641 Hf\n0.250000 0.539372 0.460628 Hf\n0.250000 0.921359 0.460657 Hf\n0.750000 0.666595 0.333405 Fe\n0.250000 0.333405 0.666595 Fe\n0.750000 0.110077 0.220200 Re\n0.750000 0.110098 0.889902 Re\n0.750000 0.779800 0.889923 Re\n0.250000 0.889923 0.779800 Re\n0.250000 0.889902 0.110098 Re\n0.250000 0.220200 0.110077 Re\n0.500000 0.000000 0.000000 Re\n0.000000 0.000000 0.000000 Re\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Hf",
"Fe",
"Re"
],
"chemical_system": "Fe-Hf-Re",
"density": 14.85061383555053,
"density_atomic": 0.0520154401362116,
"volume": 538.3017028535578,
"volume_molar": 11.577602235470783,
"formula_full": "Hf18 Fe2 Re8",
"formula_reduced": "Hf9FeRe4",
"formula_anonymous": "AB4C9",
"energy": -304.34112657,
"energy_per_atom": -10.869325948928571,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -304.34112657,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001972,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:48.100000Z",
"spacegroup": 194
},
{
"id": "mp-1007819",
"created_at": "2022-09-04T14:46:25.856208Z",
"structure_string": "Co1 W1\n1.0\n3.005228 0.000000 0.000000\n0.000000 3.005228 0.000000\n0.000000 0.000000 3.005228\nCo W\n1 1\ndirect\n0.500000 0.500000 0.500000 Co\n0.000000 0.000000 0.000000 W\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Co",
"W"
],
"chemical_system": "Co-W",
"density": 14.853115276756537,
"density_atomic": 0.0736881606324334,
"volume": 27.141402130747608,
"volume_molar": 8.1724672027563,
"formula_full": "Co1 W1",
"formula_reduced": "CoW",
"formula_anonymous": "AB",
"energy": -19.47127959,
"energy_per_atom": -9.735639795,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -19.47127959,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9020102,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:32.662000Z",
"spacegroup": 221
},
{
"id": "mp-1184712",
"created_at": "2022-09-04T14:47:08.144937Z",
"structure_string": "Ge2 Au6\n1.0\n2.880096 -4.988473 0.000000\n2.880096 4.988473 0.000000\n0.000000 0.000000 5.163224\nGe Au\n2 6\ndirect\n0.333333 0.666667 0.750000 Ge\n0.666667 0.333333 0.250000 Ge\n0.166348 0.332697 0.250000 Au\n0.667303 0.833652 0.250000 Au\n0.166348 0.833652 0.250000 Au\n0.833652 0.667303 0.750000 Au\n0.332697 0.166348 0.750000 Au\n0.833652 0.166348 0.750000 Au\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ge",
"Au"
],
"chemical_system": "Au-Ge",
"density": 14.853214654820073,
"density_atomic": 0.053921806624140825,
"volume": 148.36298152551876,
"volume_molar": 11.16828447899942,
"formula_full": "Ge2 Au6",
"formula_reduced": "GeAu3",
"formula_anonymous": "AB3",
"energy": -28.31644401,
"energy_per_atom": -3.53955550125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -28.31644401,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0016007,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:52.669000Z",
"spacegroup": 194
},
{
"id": "mp-1226164",
"created_at": "2022-09-04T14:47:17.860853Z",
"structure_string": "Cr1 Pt1\n1.0\n4.425295 -1.352877 0.000000\n4.425295 1.352877 0.000000\n4.011700 0.000000 2.306463\nCr Pt\n1 1\ndirect\n0.000000 0.000000 0.000000 Cr\n0.500000 0.500000 0.500000 Pt\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Cr",
"Pt"
],
"chemical_system": "Cr-Pt",
"density": 14.856271843176797,
"density_atomic": 0.07241907400826941,
"volume": 27.617033597690344,
"volume_molar": 8.315683184947023,
"formula_full": "Cr1 Pt1",
"formula_reduced": "CrPt",
"formula_anonymous": "AB",
"energy": -15.62564174,
"energy_per_atom": -7.81282087,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.62564174,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.793916,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:03.099000Z",
"spacegroup": 166
},
{
"id": "mp-1080130",
"created_at": "2022-09-04T14:46:10.938177Z",
"structure_string": "U4 Sn2 Pt4\n1.0\n7.680023 0.000000 0.000000\n0.000000 7.680023 0.000000\n0.000000 0.000000 3.732635\nU Sn Pt\n4 2 4\ndirect\n0.131620 0.631620 0.500000 U\n0.868380 0.368380 0.500000 U\n0.631620 0.868380 0.500000 U\n0.368380 0.131620 0.500000 U\n0.500000 0.500000 0.000000 Sn\n0.000000 0.000000 0.000000 Sn\n0.668599 0.168599 0.000000 Pt\n0.331401 0.831401 0.000000 Pt\n0.168599 0.331401 0.000000 Pt\n0.831401 0.668599 0.000000 Pt\n",
"nsites": 10,
"nelements": 3,
"elements": [
"U",
"Sn",
"Pt"
],
"chemical_system": "Pt-Sn-U",
"density": 14.857524664950663,
"density_atomic": 0.04542128689584316,
"volume": 220.1610892912674,
"volume_molar": 13.258410695869408,
"formula_full": "U4 Sn2 Pt4",
"formula_reduced": "U2SnPt2",
"formula_anonymous": "AB2C2",
"energy": -82.6134486,
"energy_per_atom": -8.26134486,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -82.6134486,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 8.5151059,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:21.103000Z",
"spacegroup": 127
}
]
}