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{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-nelements&page=3",
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"results": [
{
"id": "mp-1221604",
"created_at": "2022-09-04T14:45:41.731173Z",
"structure_string": "Na4 Ca2 Mn2 Al4 P4 H4 O20 F8\n1.0\n5.254078 0.035879 5.134837\n-5.237324 -7.217454 1.780202\n5.211671 -7.217452 -1.854034\nNa Ca Mn Al P H O F\n4 2 2 4 4 4 20 8\ndirect\n0.962640 0.621080 0.132620 Na\n0.962640 0.121080 0.632620 Na\n0.037360 0.878920 0.367380 Na\n0.037360 0.378920 0.867380 Na\n0.500000 0.250000 0.250000 Ca\n0.500000 0.750000 0.750000 Ca\n0.500000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 Mn\n0.000000 0.250000 0.250000 Al\n0.000000 0.750000 0.750000 Al\n0.000000 0.000000 0.000000 Al\n0.000000 0.500000 0.500000 Al\n0.362370 0.079530 0.678758 P\n0.362370 0.579530 0.178758 P\n0.637630 0.420470 0.821242 P\n0.637630 0.920470 0.321242 P\n0.769291 0.271540 0.478694 H\n0.769291 0.771540 0.978694 H\n0.230709 0.228460 0.021306 H\n0.230709 0.728460 0.521306 H\n0.919308 0.817928 0.931100 O\n0.919308 0.317928 0.431100 O\n0.080692 0.682072 0.568900 O\n0.080692 0.182072 0.068900 O\n0.505106 0.512655 0.253731 O\n0.505106 0.012655 0.753731 O\n0.494894 0.987345 0.246269 O\n0.494894 0.487345 0.746269 O\n0.232766 0.945678 0.631583 O\n0.232766 0.445678 0.131583 O\n0.782093 0.378354 0.696158 O\n0.782093 0.878354 0.196158 O\n0.767234 0.554322 0.868417 O\n0.767234 0.054322 0.368417 O\n0.217907 0.121646 0.803842 O\n0.217907 0.621646 0.303842 O\n0.485534 0.236955 0.523126 O\n0.485534 0.736955 0.023126 O\n0.514466 0.263045 0.976874 O\n0.514466 0.763045 0.476874 O\n0.152108 0.151728 0.346509 F\n0.152108 0.651728 0.846509 F\n0.834792 0.089062 0.908022 F\n0.834792 0.589062 0.408022 F\n0.847892 0.348272 0.153491 F\n0.847892 0.848272 0.653491 F\n0.165208 0.410938 0.591978 F\n0.165208 0.910938 0.091978 F\n",
"nsites": 48,
"nelements": 8,
"elements": [
"Na",
"Ca",
"Mn",
"Al",
"P",
"H",
"O",
"F"
],
"chemical_system": "Al-Ca-F-H-Mn-Na-O-P",
"density": 3.1304746232350738,
"density_atomic": 0.09142108803136408,
"volume": 525.0429745873569,
"volume_molar": 6.587255620862845,
"formula_full": "Na4 Ca2 Mn2 Al4 P4 H4 O20 F8",
"formula_reduced": "Na2CaMnAl2P2H2(O5F2)2",
"formula_anonymous": "ABC2D2E2F2G4H10",
"energy": -332.96917318,
"energy_per_atom": -6.936857774583333,
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"updated_at": "2021-11-28T01:37:17.004000Z",
"spacegroup": 2
},
{
"id": "mp-728472",
"created_at": "2022-09-04T14:42:22.771604Z",
"structure_string": "Fe2 P4 H48 C16 S8 N2 Cl2 O8\n1.0\n7.360818 0.000000 0.000000\n-0.063236 8.795919 0.000000\n-1.314201 -1.700042 16.714409\nFe P H C S N Cl O\n2 4 48 16 8 2 2 8\ndirect\n0.251054 0.831108 0.756642 Fe\n0.748946 0.168892 0.243358 Fe\n0.186416 0.676074 0.905805 P\n0.813584 0.323926 0.094195 P\n0.265936 0.773152 0.573504 P\n0.734064 0.226848 0.426496 P\n0.387997 0.917996 0.060076 H\n0.612003 0.082004 0.939924 H\n0.318011 0.956750 0.959819 H\n0.681989 0.043250 0.040181 H\n0.160515 0.980282 0.036457 H\n0.839485 0.019718 0.963543 H\n0.168272 0.301637 0.966403 H\n0.831728 0.698363 0.033597 H\n0.271072 0.460220 0.028807 H\n0.728928 0.539780 0.971193 H\n0.369842 0.390924 0.937728 H\n0.630158 0.609076 0.062272 H\n0.375130 0.462172 0.568401 H\n0.624870 0.537828 0.431599 H\n0.131191 0.451538 0.548658 H\n0.868809 0.548462 0.451342 H\n0.275791 0.403456 0.469141 H\n0.724209 0.596544 0.530859 H\n0.144289 0.086830 0.575392 H\n0.855711 0.913170 0.424608 H\n0.264813 0.126968 0.490771 H\n0.735187 0.873032 0.509229 H\n0.389688 0.088321 0.582558 H\n0.610312 0.911679 0.417442 H\n0.382447 0.516333 0.281387 H\n0.617553 0.483667 0.718613 H\n0.504823 0.694678 0.283720 H\n0.495177 0.305322 0.716280 H\n0.380039 0.654086 0.367629 H\n0.619961 0.345914 0.632371 H\n0.048421 0.514351 0.269905 H\n0.951579 0.485649 0.730095 H\n0.057390 0.649632 0.357763 H\n0.942611 0.350368 0.642237 H\n0.929008 0.691805 0.266967 H\n0.070992 0.308195 0.733033 H\n0.223534 0.894880 0.358182 H\n0.776466 0.105120 0.641818 H\n0.097498 0.928746 0.266031 H\n0.902502 0.071254 0.733969 H\n0.343607 0.928781 0.272591 H\n0.656393 0.071219 0.727409 H\n0.091750 0.742348 0.151814 H\n0.908250 0.257652 0.848186 H\n0.207546 0.565096 0.157286 H\n0.792454 0.434904 0.842714 H\n0.337439 0.740198 0.158512 H\n0.662561 0.259802 0.841488 H\n0.273831 0.912348 0.013925 C\n0.726169 0.087652 0.986075 C\n0.242369 0.410081 0.966908 C\n0.757631 0.589919 0.033092 C\n0.260672 0.477939 0.524342 C\n0.739328 0.522061 0.475658 C\n0.265933 0.061487 0.542748 C\n0.734067 0.938513 0.457252 C\n0.383977 0.638492 0.302502 C\n0.616023 0.361508 0.697498 C\n0.050000 0.636005 0.292198 C\n0.950000 0.363995 0.707802 C\n0.220407 0.878525 0.292692 C\n0.779593 0.121475 0.707308 C\n0.214055 0.687689 0.176548 C\n0.785945 0.312311 0.823452 C\n0.421168 0.678944 0.852295 S\n0.578832 0.321056 0.147705 S\n0.984232 0.767611 0.842140 S\n0.015768 0.232389 0.157860 S\n0.041497 0.777106 0.633555 S\n0.958503 0.222894 0.366445 S\n0.490002 0.777864 0.647645 S\n0.509998 0.222136 0.352355 S\n0.216970 0.710086 0.266140 N\n0.783030 0.289914 0.733860 N\n0.300667 0.093299 0.793066 Cl\n0.699333 0.906701 0.206934 Cl\n0.214461 0.753865 0.997249 O\n0.785539 0.246135 0.002751 O\n0.123695 0.507866 0.922061 O\n0.876305 0.492134 0.077939 O\n0.260858 0.633064 0.502925 O\n0.739142 0.366936 0.497075 O\n0.263838 0.902065 0.511367 O\n0.736162 0.097935 0.488633 O\n",
"nsites": 90,
"nelements": 8,
"elements": [
"Fe",
"P",
"H",
"C",
"S",
"N",
"Cl",
"O"
],
"chemical_system": "C-Cl-Fe-H-N-O-P-S",
"density": 1.4724085264580182,
"density_atomic": 0.08316568773564643,
"volume": 1082.1770666537066,
"volume_molar": 7.24113624736947,
"formula_full": "Fe2 P4 H48 C16 S8 N2 Cl2 O8",
"formula_reduced": "FeP2H24C8S4NClO4",
"formula_anonymous": "ABCD2E4F4G8H24",
"energy": -488.3513319300001,
"energy_per_atom": -5.426125910333334,
"energy_above_hull": null,
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"energy_uncorrected": -472.36933193,
"band_gap": 3.1831,
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"is_magnetic": true,
"total_magnetization": 7.9995808,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:46.282000Z",
"spacegroup": 2
},
{
"id": "mp-863003",
"created_at": "2022-09-04T14:39:28.127261Z",
"structure_string": "Na1 Al6 Fe3 Si6 B3 H3 O30 F1\n1.0\n5.234752 -8.037285 0.000000\n5.234752 8.037285 0.000000\n-7.105459 0.000000 6.443060\nNa Al Fe Si B H O F\n1 6 3 6 3 3 30 1\ndirect\n0.219193 0.219193 0.219193 Na\n0.906405 0.572860 0.349263 Al\n0.349263 0.906405 0.572860 Al\n0.572860 0.349263 0.906405 Al\n0.349263 0.572860 0.906405 Al\n0.906405 0.349263 0.572860 Al\n0.572860 0.906405 0.349263 Al\n0.576693 0.743648 0.576693 Fe\n0.576693 0.576693 0.743648 Fe\n0.743648 0.576693 0.576693 Fe\n0.187735 0.994072 0.805322 Si\n0.805322 0.187735 0.994072 Si\n0.994072 0.805322 0.187735 Si\n0.805322 0.994072 0.187735 Si\n0.187735 0.805322 0.994072 Si\n0.994072 0.187735 0.805322 Si\n0.560193 0.226575 0.560193 B\n0.560193 0.560193 0.226575 B\n0.226575 0.560193 0.560193 B\n0.245066 0.642834 0.245066 H\n0.245066 0.245066 0.642834 H\n0.642834 0.245066 0.245066 H\n0.528304 0.342087 0.528303 O\n0.528304 0.528304 0.342087 O\n0.342087 0.528304 0.528304 O\n0.375594 0.781934 0.375594 O\n0.375594 0.375594 0.781934 O\n0.781934 0.375594 0.375594 O\n0.160213 0.880705 0.160213 O\n0.160213 0.160213 0.880705 O\n0.880705 0.160213 0.160213 O\n0.993169 0.273166 0.993169 O\n0.993169 0.993169 0.273166 O\n0.273166 0.993169 0.993169 O\n0.969220 0.765451 0.585356 O\n0.585356 0.969220 0.765451 O\n0.765451 0.585356 0.969220 O\n0.585356 0.765451 0.969220 O\n0.969220 0.585356 0.765451 O\n0.765451 0.969220 0.585356 O\n0.364178 0.078736 0.793006 O\n0.793006 0.364178 0.078736 O\n0.078736 0.793006 0.364178 O\n0.793006 0.078736 0.364178 O\n0.364178 0.793006 0.078736 O\n0.078736 0.364178 0.793006 O\n0.651842 0.502606 0.168369 O\n0.168369 0.651842 0.502606 O\n0.502606 0.168369 0.651842 O\n0.168369 0.502606 0.651842 O\n0.651842 0.168369 0.502606 O\n0.502606 0.651842 0.168369 O\n0.849422 0.849422 0.849422 F\n",
"nsites": 53,
"nelements": 8,
"elements": [
"Na",
"Al",
"Fe",
"Si",
"B",
"H",
"O",
"F"
],
"chemical_system": "Al-B-F-Fe-H-Na-O-Si",
"density": 3.232390442334303,
"density_atomic": 0.0977570794302541,
"volume": 542.160223166379,
"volume_molar": 6.160311657322541,
"formula_full": "Na1 Al6 Fe3 Si6 B3 H3 O30 F1",
"formula_reduced": "NaAl6Fe3Si6B3H3O30F",
"formula_anonymous": "ABC3D3E3F6G6H30",
"energy": -415.61433921,
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"updated_at": "2021-11-28T01:34:41.182000Z",
"spacegroup": 160
},
{
"id": "mp-1201468",
"created_at": "2022-09-04T14:44:03.825016Z",
"structure_string": "K2 P2 H24 Pt2 C4 N4 Cl4 O8\n1.0\n7.740287 0.012417 2.913033\n0.400546 8.839945 0.736709\n-0.042525 -0.118585 8.954006\nK P H Pt C N Cl O\n2 2 24 2 4 4 4 8\ndirect\n0.423466 0.217712 0.580196 K\n0.576534 0.782288 0.419804 K\n0.182095 0.782327 0.268022 P\n0.817905 0.217673 0.731978 P\n0.206040 0.544824 0.406755 H\n0.793960 0.455176 0.593245 H\n0.381391 0.562867 0.222807 H\n0.618609 0.437133 0.777193 H\n0.402498 0.803996 0.006237 H\n0.597502 0.196004 0.993763 H\n0.239541 0.953797 0.038642 H\n0.760459 0.046203 0.961358 H\n0.023347 0.501336 0.248966 H\n0.976653 0.498664 0.751034 H\n0.185245 0.372876 0.225379 H\n0.814755 0.627124 0.774621 H\n0.138649 0.025794 0.680400 H\n0.861351 0.974206 0.319600 H\n0.043067 0.766013 0.017421 H\n0.956933 0.233987 0.982579 H\n0.206957 0.794852 0.850471 H\n0.793043 0.205148 0.149529 H\n0.143208 0.195936 0.472324 H\n0.856792 0.804064 0.527676 H\n0.258398 0.091404 0.338466 H\n0.741602 0.908596 0.661534 H\n0.227834 0.901259 0.560717 H\n0.772166 0.098741 0.439283 H\n0.221584 0.516243 0.955868 Pt\n0.778416 0.483757 0.044132 Pt\n0.240577 0.580114 0.279508 C\n0.759423 0.419886 0.720492 C\n0.262569 0.830742 0.053808 C\n0.737431 0.169258 0.946192 C\n0.155957 0.485478 0.200618 N\n0.844043 0.514522 0.799382 N\n0.175382 0.748723 0.966242 N\n0.824618 0.251277 0.033758 N\n0.267343 0.254124 0.947707 Cl\n0.732657 0.745876 0.052293 Cl\n0.294172 0.549221 0.679472 Cl\n0.705828 0.450779 0.320528 Cl\n0.280105 0.866158 0.348982 O\n0.719895 0.133842 0.651018 O\n0.985096 0.803606 0.326552 O\n0.014904 0.196394 0.673448 O\n0.240317 0.197610 0.368521 O\n0.759683 0.802390 0.631479 O\n0.229717 0.942632 0.660042 O\n0.770283 0.057368 0.339958 O\n",
"nsites": 50,
"nelements": 8,
"elements": [
"K",
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"H",
"Pt",
"C",
"N",
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],
"chemical_system": "C-Cl-H-K-N-O-P-Pt",
"density": 2.509726635739156,
"density_atomic": 0.08139951030394321,
"volume": 614.2543095566739,
"volume_molar": 7.398251829173807,
"formula_full": "K2 P2 H24 Pt2 C4 N4 Cl4 O8",
"formula_reduced": "KPH12PtC2N2(ClO2)2",
"formula_anonymous": "ABCD2E2F2G4H12",
"energy": -271.31046355,
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"updated_at": "2021-11-28T01:36:26.666000Z",
"spacegroup": 2
},
{
"id": "mp-1213587",
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"id": "mp-698303",
"created_at": "2022-09-04T14:48:10.644964Z",
"structure_string": "Mn2 P4 H72 C24 N12 Cl4 O4\n1.0\n4.173486 11.955883 0.000000\n-4.173486 11.955883 0.000000\n0.000000 9.796676 12.744268\nMn P H C N Cl O\n2 4 72 24 12 4 4\ndirect\n0.699443 0.300557 0.750000 Mn\n0.300557 0.699443 0.250000 Mn\n0.336084 0.462926 0.955848 P\n0.537074 0.663916 0.544152 P\n0.663916 0.537074 0.044152 P\n0.462926 0.336084 0.455848 P\n0.212135 0.849858 0.916887 H\n0.150142 0.787865 0.583113 H\n0.787865 0.150142 0.083113 H\n0.849858 0.212135 0.416887 H\n0.415182 0.628358 0.932835 H\n0.371642 0.584818 0.567165 H\n0.584818 0.371642 0.067165 H\n0.628358 0.415182 0.432835 H\n0.242944 0.710963 0.045751 H\n0.289037 0.757056 0.454249 H\n0.757056 0.289037 0.954249 H\n0.710963 0.242944 0.545751 H\n0.960694 0.787544 0.075440 H\n0.212456 0.039306 0.424560 H\n0.039306 0.212456 0.924560 H\n0.787544 0.960694 0.575440 H\n0.966174 0.756974 0.976523 H\n0.243026 0.033826 0.523477 H\n0.033826 0.243026 0.023477 H\n0.756974 0.966174 0.476523 H\n0.962115 0.919843 0.944458 H\n0.080157 0.037885 0.555542 H\n0.037885 0.080157 0.055542 H\n0.919843 0.962115 0.444458 H\n0.298236 0.501916 0.759794 H\n0.498084 0.701764 0.740206 H\n0.701764 0.498084 0.240206 H\n0.501916 0.298236 0.259794 H\n0.171282 0.692599 0.795294 H\n0.307401 0.828718 0.704706 H\n0.828718 0.307401 0.204706 H\n0.692599 0.171282 0.295294 H\n0.067850 0.630378 0.820123 H\n0.369622 0.932150 0.679877 H\n0.932150 0.369622 0.179877 H\n0.630378 0.067850 0.320123 H\n0.140067 0.361946 0.952302 H\n0.638054 0.859933 0.547698 H\n0.859933 0.638054 0.047698 H\n0.361946 0.140067 0.452302 H\n0.260952 0.251584 0.039785 H\n0.748416 0.739048 0.460215 H\n0.739048 0.748416 0.960215 H\n0.251584 0.260952 0.539785 H\n0.373193 0.224953 0.908559 H\n0.775047 0.626807 0.591441 H\n0.626807 0.775047 0.091441 H\n0.224953 0.373193 0.408559 H\n0.181395 0.311389 0.193609 H\n0.688611 0.818605 0.306391 H\n0.818605 0.688611 0.806391 H\n0.311389 0.181395 0.693609 H\n0.128372 0.509437 0.157772 H\n0.490563 0.871628 0.342228 H\n0.871628 0.490563 0.842228 H\n0.509437 0.128372 0.657772 H\n0.286475 0.314552 0.231614 H\n0.685448 0.713525 0.268386 H\n0.713525 0.685448 0.768386 H\n0.314552 0.286475 0.731614 H\n0.587858 0.089227 0.140591 H\n0.910773 0.412142 0.359409 H\n0.412142 0.910773 0.859409 H\n0.089227 0.587858 0.640591 H\n0.627439 0.112922 0.007311 H\n0.887078 0.372561 0.492689 H\n0.372561 0.887078 0.992689 H\n0.112922 0.627439 0.507311 H\n0.498046 0.059686 0.109881 H\n0.940314 0.501954 0.390119 H\n0.501954 0.940314 0.890119 H\n0.059686 0.498046 0.609881 H\n0.273134 0.714970 0.965047 C\n0.285030 0.726866 0.534953 C\n0.726866 0.285030 0.034953 C\n0.714970 0.273134 0.465047 C\n0.013094 0.787392 0.991813 C\n0.212608 0.986906 0.508187 C\n0.986906 0.212608 0.008187 C\n0.787392 0.013094 0.491813 C\n0.189216 0.579866 0.818796 C\n0.420134 0.810784 0.681204 C\n0.810784 0.420134 0.181204 C\n0.579866 0.189216 0.318796 C\n0.252654 0.318930 0.957760 C\n0.681070 0.747346 0.542240 C\n0.747346 0.681070 0.042240 C\n0.318930 0.252654 0.457760 C\n0.235000 0.367051 0.168205 C\n0.632949 0.765000 0.331795 C\n0.765000 0.632949 0.831795 C\n0.367051 0.235000 0.668205 C\n0.530157 0.136171 0.082805 C\n0.863829 0.469843 0.417195 C\n0.469843 0.863829 0.917195 C\n0.136171 0.530157 0.582805 C\n0.204081 0.664138 0.961752 N\n0.335862 0.795919 0.538248 N\n0.795919 0.335862 0.038248 N\n0.664138 0.204081 0.461752 N\n0.223717 0.473809 0.923529 N\n0.526191 0.776283 0.576471 N\n0.776283 0.526191 0.076471 N\n0.473809 0.223717 0.423529 N\n0.374372 0.323269 0.072215 N\n0.676731 0.625628 0.427785 N\n0.625628 0.676731 0.927785 N\n0.323269 0.374372 0.572215 N\n0.934759 0.254271 0.728135 Cl\n0.745729 0.065241 0.771865 Cl\n0.065241 0.745729 0.271865 Cl\n0.254271 0.934759 0.228135 Cl\n0.510696 0.404182 0.879988 O\n0.595818 0.489304 0.620012 O\n0.489304 0.595818 0.120012 O\n0.404182 0.510696 0.379988 O\n",
"nsites": 122,
"nelements": 7,
"elements": [
"Mn",
"P",
"H",
"C",
"N",
"Cl",
"O"
],
"chemical_system": "C-Cl-H-Mn-N-O-P",
"density": 1.2644991980703622,
"density_atomic": 0.09592555529561156,
"volume": 1271.8195857614317,
"volume_molar": 6.277931612114946,
"formula_full": "Mn2 P4 H72 C24 N12 Cl4 O4",
"formula_reduced": "MnP2H36C12N6(ClO)2",
"formula_anonymous": "AB2C2D2E6F12G36",
"energy": -674.7051587999999,
"energy_per_atom": -5.53037015409836,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -661.8331588,
"band_gap": 4.1058,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 6.0300229,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:31.748000Z",
"spacegroup": 15
}
]
}