HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 146323,
"next": null,
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-decomposes_to&page=12193",
"results": [
{
"id": "mp-1227971",
"created_at": "2022-09-04T14:42:23.123306Z",
"structure_string": "Ba2 Cd2 Sn2\n1.0\n2.639534 6.116206 0.000000\n-2.639534 6.116206 0.000000\n0.000000 5.957685 6.116185\nBa Cd Sn\n2 2 2\ndirect\n0.543043 0.543043 0.707183 Ba\n0.456957 0.456957 0.292817 Ba\n0.160315 0.160315 0.277382 Cd\n0.839685 0.839685 0.722618 Cd\n0.839250 0.839250 0.101927 Sn\n0.160750 0.160750 0.898073 Sn\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Cd",
"Sn"
],
"chemical_system": "Ba-Cd-Sn",
"density": 6.196341178860755,
"density_atomic": 0.03038304356841059,
"volume": 197.47857012712944,
"volume_molar": 19.82072910648508,
"formula_full": "Ba2 Cd2 Sn2",
"formula_reduced": "BaCdSn",
"formula_anonymous": "ABC",
"energy": -16.87175056,
"energy_per_atom": -2.8119584266666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -16.87175056,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0006341,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:45.592000Z",
"spacegroup": 12
},
{
"id": "mp-1016642",
"created_at": "2022-09-04T14:42:23.134539Z",
"structure_string": "Mg12 Ga2 Mo2\n1.0\n4.835722 0.000000 0.000000\n0.000000 6.185895 0.000000\n0.000000 0.000000 10.577767\nMg Ga Mo\n12 2 2\ndirect\n0.000000 0.254036 0.082830 Mg\n0.000000 0.745964 0.082830 Mg\n0.000000 0.500000 0.833726 Mg\n0.500000 0.238039 0.911254 Mg\n0.500000 0.761961 0.911254 Mg\n0.500000 0.500000 0.666197 Mg\n0.000000 0.754036 0.582830 Mg\n0.000000 0.245964 0.582830 Mg\n0.000000 0.000000 0.333726 Mg\n0.500000 0.738039 0.411254 Mg\n0.500000 0.261961 0.411254 Mg\n0.500000 0.000000 0.166197 Mg\n0.500000 0.500000 0.184137 Ga\n0.500000 0.000000 0.684137 Ga\n0.000000 0.500000 0.327772 Mo\n0.000000 0.000000 0.827772 Mo\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Mg",
"Ga",
"Mo"
],
"chemical_system": "Ga-Mg-Mo",
"density": 3.2694109914887135,
"density_atomic": 0.0505664093892068,
"volume": 316.4155848371377,
"volume_molar": 11.909369940918532,
"formula_full": "Mg12 Ga2 Mo2",
"formula_reduced": "Mg6GaMo",
"formula_anonymous": "ABC6",
"energy": -44.71010803,
"energy_per_atom": -2.794381751875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -44.71010803,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0051655,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:44.600000Z",
"spacegroup": 38
},
{
"id": "mp-1111006",
"created_at": "2022-09-04T14:42:23.214372Z",
"structure_string": "K1 Na2 Ru1 F6\n1.0\n0.000000 4.458764 4.458764\n4.458764 0.000000 4.458764\n4.458764 4.458764 0.000000\nK Na Ru F\n1 2 1 6\ndirect\n0.500000 0.500000 0.500000 K\n0.750000 0.750000 0.750000 Na\n0.250000 0.250000 0.250000 Na\n0.000000 0.000000 0.000000 Ru\n0.774479 0.225521 0.225521 F\n0.225521 0.225521 0.774479 F\n0.225521 0.774479 0.774479 F\n0.225521 0.774479 0.225521 F\n0.774479 0.225521 0.774479 F\n0.774479 0.774479 0.225521 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Na",
"Ru",
"F"
],
"chemical_system": "F-K-Na-Ru",
"density": 2.8112340284098347,
"density_atomic": 0.05640616148233215,
"volume": 177.28559677176855,
"volume_molar": 10.676388184801917,
"formula_full": "K1 Na2 Ru1 F6",
"formula_reduced": "KNa2RuF6",
"formula_anonymous": "ABC2D6",
"energy": -48.53747828,
"energy_per_atom": -4.853747828,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -45.76547828000001,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.00453,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:43.814000Z",
"spacegroup": 225
},
{
"id": "mp-1094801",
"created_at": "2022-09-04T14:42:23.593724Z",
"structure_string": "Mg1 Sn1\n1.0\n3.317557 0.000000 0.000000\n0.000000 3.317557 0.000000\n0.000000 0.000000 4.372964\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": 4.93421420381771,
"density_atomic": 0.04155442783715035,
"volume": 48.12964836955273,
"volume_molar": 14.492175860537554,
"formula_full": "Mg1 Sn1",
"formula_reduced": "MgSn",
"formula_anonymous": "AB",
"energy": -5.84832574,
"energy_per_atom": -2.92416287,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.84832574,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 2.89e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:46.614000Z",
"spacegroup": 123
},
{
"id": "mp-1262173",
"created_at": "2022-09-04T14:42:23.644508Z",
"structure_string": "Li8 Fe8 Si8 O36\n1.0\n14.074504 0.000143 -0.000477\n0.000067 8.622753 -0.000262\n-0.000180 -0.000161 5.057150\nLi Fe Si O\n8 8 8 36\ndirect\n0.155765 0.030987 0.634763 Li\n0.156209 0.466823 0.142429 Li\n0.344275 0.531043 0.134690 Li\n0.343869 0.966918 0.642433 Li\n0.655818 0.030884 0.365309 Li\n0.656114 0.466753 0.857515 Li\n0.844131 0.530874 0.865323 Li\n0.843837 0.966719 0.357564 Li\n0.169566 0.651619 0.633096 Fe\n0.169151 0.847664 0.135395 Fe\n0.330441 0.151655 0.133058 Fe\n0.330864 0.347688 0.635300 Fe\n0.669562 0.651589 0.366885 Fe\n0.669108 0.847608 0.864634 Fe\n0.830416 0.151551 0.866955 Fe\n0.830894 0.347613 0.364630 Fe\n0.035744 0.160785 0.178233 Si\n0.035518 0.341764 0.678733 Si\n0.464264 0.660796 0.678200 Si\n0.464485 0.841756 0.178730 Si\n0.535727 0.160738 0.821776 Si\n0.535520 0.341678 0.321267 Si\n0.964266 0.660735 0.321823 Si\n0.964477 0.841681 0.821342 Si\n0.071478 0.303986 0.374407 O\n0.072612 0.199866 0.874678 O\n0.084015 0.499703 0.788052 O\n0.084470 0.004791 0.288309 O\n0.081844 0.662034 0.318131 O\n0.081626 0.839443 0.813304 O\n0.231189 0.818972 0.473961 O\n0.230526 0.671602 0.956091 O\n0.253938 0.000329 0.971170 O\n0.246074 0.500322 0.471095 O\n0.269500 0.171579 0.455992 O\n0.268806 0.318978 0.973829 O\n0.418149 0.162045 0.818099 O\n0.418368 0.339428 0.313161 O\n0.416021 0.999716 0.288026 O\n0.415559 0.504786 0.788248 O\n0.427365 0.699865 0.374646 O\n0.428538 0.803985 0.874386 O\n0.572630 0.199788 0.125323 O\n0.571457 0.303912 0.625609 O\n0.583988 0.499639 0.211968 O\n0.584422 0.004702 0.711682 O\n0.581839 0.662033 0.681870 O\n0.581631 0.839411 0.186798 O\n0.730493 0.671547 0.043884 O\n0.731190 0.818937 0.526145 O\n0.753889 0.000252 0.028866 O\n0.746089 0.500287 0.528757 O\n0.769484 0.171629 0.543886 O\n0.768813 0.318942 0.026141 O\n0.918166 0.162021 0.181940 O\n0.918374 0.339476 0.686735 O\n0.915977 0.999629 0.712023 O\n0.915553 0.504724 0.211673 O\n0.927384 0.699789 0.625363 O\n0.928527 0.803925 0.125672 O\n",
"nsites": 60,
"nelements": 4,
"elements": [
"Li",
"Fe",
"Si",
"O"
],
"chemical_system": "Fe-Li-O-Si",
"density": 3.525267700735751,
"density_atomic": 0.09776116566455072,
"volume": 613.7406360914196,
"volume_molar": 6.160054167790775,
"formula_full": "Li8 Fe8 Si8 O36",
"formula_reduced": "Li2Fe2Si2O9",
"formula_anonymous": "A2B2C2D9",
"energy": -440.73908565,
"energy_per_atom": -7.3456514275,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -397.95908565,
"band_gap": 0.0317000000000002,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 32.0052014,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:46.191000Z",
"spacegroup": 33
},
{
"id": "mp-1208173",
"created_at": "2022-09-04T14:42:23.649158Z",
"structure_string": "V4 Pb4 O8\n1.0\n-3.283741 3.283741 5.985610\n3.283741 -3.283741 5.985610\n3.283741 3.283741 -5.985610\nV Pb O\n4 4 8\ndirect\n0.375000 0.125000 0.250000 V\n0.875000 0.125000 0.750000 V\n0.875000 0.125000 0.250000 V\n0.875000 0.625000 0.750000 V\n0.875000 0.625000 0.250000 Pb\n0.375000 0.625000 0.750000 Pb\n0.375000 0.625000 0.250000 Pb\n0.375000 0.125000 0.750000 Pb\n0.162856 0.353602 0.208033 O\n0.145570 0.954823 0.791967 O\n0.103602 0.395570 0.690747 O\n0.587144 0.896398 0.291967 O\n0.704823 0.412856 0.309253 O\n0.604430 0.295177 0.708033 O\n0.646398 0.854430 0.809253 O\n0.045177 0.837144 0.190747 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"V",
"Pb",
"O"
],
"chemical_system": "O-Pb-V",
"density": 7.464675719187548,
"density_atomic": 0.06197460735270014,
"volume": 258.1702520347296,
"volume_molar": 9.717109986236363,
"formula_full": "V4 Pb4 O8",
"formula_reduced": "VPbO2",
"formula_anonymous": "ABC2",
"energy": -113.26053272,
"energy_per_atom": -7.078783295,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -100.96453272,
"band_gap": 0.0495999999999998,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 12.0000829,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:50.482000Z",
"spacegroup": 88
},
{
"id": "mp-652695",
"created_at": "2022-09-04T14:42:23.657652Z",
"structure_string": "Re2 Se4 Cl24\n1.0\n0.000000 6.486103 10.947173\n6.039431 0.000000 10.947173\n6.039431 6.486103 0.000000\nRe Se Cl\n2 4 24\ndirect\n0.920102 0.920102 0.079898 Re\n0.170102 0.170102 0.329898 Re\n0.287530 0.717534 0.266144 Se\n0.717534 0.287530 0.728791 Se\n0.983856 0.521209 0.962470 Se\n0.521209 0.983856 0.532466 Se\n0.958691 0.394960 0.879540 Cl\n0.282119 0.213224 0.064933 Cl\n0.054064 0.137185 0.596661 Cl\n0.432712 0.910175 0.368733 Cl\n0.624825 0.528863 0.701466 Cl\n0.185067 0.810276 0.967881 Cl\n0.137185 0.054064 0.212090 Cl\n0.961621 0.881267 0.339825 Cl\n0.715171 0.279545 0.485792 Cl\n0.213224 0.282119 0.439724 Cl\n0.105153 0.548534 0.721137 Cl\n0.528863 0.624825 0.144847 Cl\n0.370460 0.483191 0.291309 Cl\n0.810276 0.185067 0.036776 Cl\n0.764208 0.730507 0.534829 Cl\n0.394960 0.958691 0.766809 Cl\n0.653339 0.037910 0.195936 Cl\n0.483191 0.370460 0.855040 Cl\n0.548534 0.105153 0.625175 Cl\n0.037910 0.653339 0.112815 Cl\n0.910175 0.432712 0.288379 Cl\n0.730507 0.764208 0.970455 Cl\n0.279545 0.715171 0.519493 Cl\n0.881267 0.961621 0.817288 Cl\n",
"nsites": 30,
"nelements": 3,
"elements": [
"Re",
"Se",
"Cl"
],
"chemical_system": "Cl-Re-Se",
"density": 2.979966831537072,
"density_atomic": 0.03497916296492126,
"volume": 857.6534558612909,
"volume_molar": 17.21636611499047,
"formula_full": "Re2 Se4 Cl24",
"formula_reduced": "Re(SeCl6)2",
"formula_anonymous": "AB2C12",
"energy": -110.80109529,
"energy_per_atom": -3.693369843,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -96.06509529,
"band_gap": 0.8805,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 5.9987101,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:45.843000Z",
"spacegroup": 43
}
]
}