# Fileset

[Zn1Zr2_mp_4296202820_nk.dat](https://mdr.nims.go.jp/filesets/2f99d642-55fe-4b2a-8048-a62dfad8d852/download)

## Creator

Thien Duc Ngo, [Tadaaki Nagao](https://orcid.org/0000-0002-6746-2686)

## Rights

Creative Commons BY Attribution 4.0 International[Creative Commons BY Attribution 4.0 International](https://creativecommons.org/licenses/by/4.0/)

## Other metadata

[First-principles optical properties and thermophotonic device parameters for Zr2Zn / (I4/mmm, #139, Tetragonal) / AtomWork-Adv Material ID 4296202820](https://mdr.nims.go.jp/datasets/b8fa522a-ebd4-4bd5-be4a-6df9e3839b26)

## Fulltext

\# Wavelength(um) n(xyz) k(xyz) 0.2 1.453095158 1.723596687 0.2124 1.46260192 1.801583852 0.2248 1.399454619 1.905563756 0.2372 1.453729951 2.131860871 0.2496 1.554195874 2.254445567 0.262 1.643534594 2.394808126 0.2744 1.796869098 2.510505637 0.2868 1.948626412 2.561317023 0.2992 2.083481603 2.579960385 0.3116 2.1684047 2.545973084 0.324 2.191185076 2.555580568 0.3364 2.234596884 2.590892362 0.3488 2.271801831 2.608502168 0.3612 2.275394104 2.636554253 0.3736 2.269596364 2.702418852 0.386 2.281989081 2.797690863 0.3984 2.31999824 2.905390135 0.4108 2.381701858 3.013055549 0.4232 2.461075553 3.114593533 0.4356 2.560348274 3.208782212 0.448 2.679480109 3.291384762 0.4604 2.820227031 3.348489287 0.4728 2.967667217 3.363770015 0.4852 3.09603518 3.336799939 0.4976 3.186093305 3.285497002 0.51 3.235274634 3.233295835 0.5224 3.253052487 3.197366179 0.5348 3.252853702 3.185664327 0.5472 3.246813284 3.199983828 0.5596 3.253083498 3.242861737 0.572 3.277095023 3.294518446 0.5844 3.315037205 3.347337998 0.5968 3.370484579 3.393562478 0.6092 3.431051957 3.425130294 0.6216 3.49054077 3.449923893 0.634 3.544304496 3.463133604 0.6464 3.592767135 3.475928033 0.6588 3.635281377 3.487831803 0.6712 3.675361224 3.501982313 0.6836 3.713112122 3.517911544 0.696 3.751653614 3.535760857 0.7084 3.790218492 3.55503252 0.7208 3.830312922 3.574394646 0.7332 3.873150049 3.593896395 0.7456 3.914747442 3.612927835 0.758 3.963121464 3.628213299 0.7704 4.008850924 3.643787279 0.7828 4.057343304 3.653277253 0.7952 4.106487894 3.659514015 0.8076 4.153146822 3.666364483 0.82 4.198961939 3.661595467 0.8324 4.242760279 3.656475733 0.8448 4.284407711 3.652348482 0.8572 4.317977801 3.639770912 0.8696 4.349465293 3.627664308 0.882 4.379414235 3.616762231 0.8944 4.402336504 3.605948792 0.9068 4.421480702 3.595718509 0.9192 4.43950516 3.586503321 0.9316 4.4562785 3.57864752 0.944 4.470780773 3.574532238 0.9564 4.484295292 3.571218877 0.9688 4.496830082 3.568680539 0.9812 4.509025368 3.566624423 0.9936 4.523348381 3.563941718 1.006 4.536695619 3.562008862 1.0184 4.549081639 3.560806617 1.0308 4.560552389 3.560314325 1.0432 4.570684872 3.555539368 1.0556 4.579831727 3.550163187 1.068 4.588181879 3.545576533 1.0804 4.595728073 3.541767429 1.0928 4.602352216 3.538636166 1.1052 4.603414789 3.533529075 1.1176 4.602965702 3.528681518 1.13 4.601926558 3.52458906 1.1424 4.600319519 3.521255412 1.1548 4.598140929 3.518650309 1.1672 4.593404216 3.517706964 1.1796 4.584616735 3.519149131 1.192 4.575413555 3.521222685 1.2044 4.56579106 3.523967651 1.2168 4.555770696 3.527328541 1.2292 4.545364732 3.531322775 1.2416 4.534384784 3.536742197 1.254 4.521875217 3.547908606 1.2664 4.509017832 3.559710917 1.2788 4.495864556 3.572015972 1.2912 4.482427838 3.584809523 1.3036 4.468709369 3.598119429 1.316 4.454711012 3.611917801 1.3284 4.440799052 3.6266784 1.3408 4.43014672 3.646820528 1.3532 4.419721836 3.668002332 1.3656 4.409029244 3.689530983 1.378 4.398073963 3.711408707 1.3904 4.386885583 3.733639661 1.4028 4.375457972 3.756212516 1.4152 4.363808474 3.779130111 1.4276 4.351947966 3.802400702 1.44 4.346552439 3.826998577 1.4524 4.343356785 3.852239369 1.4648 4.339817604 3.877720572 1.4772 4.335945812 3.903450535 1.4896 4.331734556 3.929430527 1.502 4.327206962 3.955669361 1.5144 4.322375067 3.982150954 1.5268 4.317273683 4.008884141 1.5392 4.31187105 4.035892956 1.5516 4.307358146 4.062269587 1.564 4.30953991 4.083556567 1.5764 4.311558936 4.104965342 1.5888 4.313158474 4.12668584 1.6012 4.314302056 4.14875912 1.6136 4.315067507 4.171139843 1.626 4.315412578 4.193874786 1.6384 4.315390879 4.216918121 1.6508 4.314990177 4.240287753 1.6632 4.314239538 4.26398438 1.6756 4.313167905 4.287973575 1.688 4.311815168 4.311536853 1.7004 4.310837725 4.329378926 1.7128 4.309888502 4.344207511 1.7252 4.308544118 4.359581679 1.7376 4.306860872 4.375425759 1.75 4.304860332 4.39172204 1.7624 4.302518839 4.408522242 1.7748 4.299841234 4.425814574 1.7872 4.296871933 4.44355808 1.7996 4.293609791 4.461746859 1.812 4.290082357 4.480380188 1.8244 4.286261333 4.499503997 1.8368 4.282162512 4.519083511 1.8492 4.277824343 4.539094746 1.8616 4.27180606 4.557732661 1.874 4.262629682 4.57315119 1.8864 4.25230697 4.587909607 1.8988 4.241816721 4.603228117 1.9112 4.231163631 4.619095763 1.9236 4.220370095 4.635517634 1.936 4.209429668 4.652483007 1.9484 4.1983537 4.669997194 1.9608 4.187158377 4.68804813 1.9732 4.175838034 4.70663609 1.9856 4.164414117 4.725742792 1.998 4.152892936 4.745378777 2.0104 4.141279469 4.765532041 2.0228 4.129584609 4.786195676 2.0352 4.117819209 4.807362586 2.0476 4.105982942 4.829026394 2.06 4.094092612 4.851184837 2.0724 4.079448426 4.873551011 2.0848 4.061791301 4.896115661 2.0972 4.043999185 4.919189914 2.1096 4.026263062 4.942771919 2.122 4.008589355 4.966909363 2.1344 3.990974369 4.991600586 2.1468 3.973451993 5.016783904 2.1592 3.956022455 5.042451156 2.1716 3.938679713 5.068589338 2.184 3.921446948 5.095198345 2.1964 3.904317204 5.122342514 2.2088 3.88730371 5.149983508 2.2212 3.870415783 5.178061253 2.2336 3.853657207 5.206560657 2.246 3.837043884 5.235475696 2.2584 3.820563389 5.264969574 2.2708 3.804235999 5.29484764 2.2832 3.788061631 5.325111353 2.2956 3.772055255 5.355753994 2.308 3.756202553 5.386943254 2.3204 3.740081401 5.418866015 2.3328 3.72351564 5.451675772 2.3452 3.705727075 5.486183842 2.3576 3.688198454 5.521096615 2.37 3.670910291 5.556292142 2.3824 3.653879908 5.591836763 2.3948 3.637107279 5.627810352 2.4072 3.620591013 5.664033835 2.4196 3.604342191 5.700568623 2.432 3.588365837 5.737514216 2.4444 3.572646339 5.774668983 2.4568 3.557206941 5.812144288 2.4692 3.542036592 5.849967797 2.4816 3.527128458 5.887948298 2.494 3.512510531 5.926316751 2.5064 3.49815617 5.964913796 2.5188 3.484075766 6.003672538 2.5312 3.470289193 6.042839323 2.5436 3.456757017 6.082102357 2.556 3.443520558 6.121685538 2.5684 3.430553719 6.161468885 2.5808 3.41785495 6.201389559 2.5932 3.40545301 6.24165124 2.6056 3.393292485 6.281937113 2.618 3.381447766 6.322617258 2.6304 3.369850429 6.363323967 2.6428 3.358533114 6.404298922 2.6552 3.347484353 6.445855373 2.6676 3.336688361 6.488049724 2.68 3.32617736 6.530785238 2.6924 3.315927485 6.573756543 2.7048 3.305977167 6.616969475 2.7172 3.296263714 6.660146731 2.7296 3.286869726 6.703596989 2.742 3.277697306 6.746962252 2.7544 3.268843212 6.790628538 2.7668 3.26019799 6.83417083 2.7792 3.251878704 6.87802407 2.7916 3.243758206 6.921724301 2.804 3.235953294 6.965737127 2.8164 3.228346351 7.009594864 2.8288 3.221046499 7.053732384 2.8412 3.213944692 7.097741929 2.8536 3.207137355 7.141976618 2.866 3.200534808 7.186127125 2.8784 3.194201325 7.230430285 2.8908 3.18808368 7.274714946 2.9032 3.182214335 7.319070165 2.9156 3.176583819 7.363476405 2.928 3.171156506 7.407849457 2.9404 3.165996294 7.452377643 2.9528 3.16099464 7.496738432 2.9652 3.156302002 7.541388621 2.9776 3.151756515 7.58583345 2.99 3.14748407 7.630475475 3.0024 3.143385968 7.675035853 3.0148 3.139501978 7.719616096 3.0272 3.135855589 7.764276546 3.0396 3.132343795 7.808769279 3.052 3.129136543 7.853540317 3.0644 3.126049289 7.898100035 3.0768 3.123205971 7.942783866 3.0892 3.120544383 7.987452488 3.1016 3.118130332 8.03205682 3.114 3.116502871 8.077226637 3.1264 3.114980431 8.122185856 3.1388 3.113689749 8.167255589 3.1512 3.112573989 8.212302773 3.1636 3.111565146 8.257162809 3.176 3.110835036 8.302288517 3.1884 3.110198871 8.347199352 3.2008 3.10973349 8.392117872 3.2132 3.109476629 8.437111171 3.2256 3.109299293 8.481894959 3.238 3.109363237 8.526842308 3.2504 3.109559401 8.571712762 3.2628 3.109830222 8.616370698 3.2752 3.110397541 8.661320504 3.2876 3.111033193 8.706062688 3.3 3.111779233 8.750701114 3.3124 3.112780883 8.795527547 3.3248 3.113842914 8.840153714 3.3372 3.115048508 8.884741257 3.3496 3.116466817 8.929454934 3.362 3.11794324 8.973960667 3.3744 3.119578072 9.018479215 3.3868 3.121406516 9.063077768 3.3992 3.123290749 9.107477428 3.4116 3.125330691 9.151895537 3.424 3.127558174 9.196391691 3.4364 3.129837848 9.24068639 3.4488 3.13225794 9.284979257 3.4612 3.134879024 9.329371174 3.4736 3.137540841 9.373567226 3.486 3.140313845 9.41770519 3.4984 3.143318743 9.462005745 3.5108 3.146359698 9.506112736 3.5232 3.149456167 9.550061473 3.5356 3.152837335 9.594278673 3.548 3.156251661 9.638299878 3.5604 3.159691935 9.682130609 3.5728 3.163393594 9.726168775 3.5852 3.16716982 9.770110781 3.5976 3.170977176 9.813867548 3.61 3.174940693 9.85766445 3.6224 3.179081776 9.901538312 3.6348 3.183242309 9.945221546 3.6472 3.187441556 9.988747853 3.6596 3.191938464 10.03255556 3.672 3.196455592 10.07617628 3.6844 3.200989384 10.11962119 3.6968 3.205793121 10.16308563 3.7092 3.210829091 10.20653827 3.7216 3.215873659 10.24981187 3.734 3.22093074 10.29290993 3.7464 3.226651086 10.33605714 3.7588 3.23240582 10.37903403 3.7712 3.238165227 10.42184312 3.7836 3.244016892 10.46461875 3.796 3.25008504 10.50757121 3.8084 3.256156367 10.55035328 3.8208 3.262236163 10.59296393 3.8332 3.26847378 10.63566739 3.8456 3.274859642 10.67842712 3.858 3.281244283 10.72102439 3.8704 3.287628741 10.76345682 3.8828 3.294225416 10.80604558 3.8952 3.300919179 10.84862975 3.9076 3.307614372 10.89105196 3.92 3.314302354 10.93331149 3.9324 3.321220192 10.97575526 3.9448 3.328224951 11.01817051 3.9572 3.335222948 11.06043001 3.9696 3.342215279 11.10253138 3.982 3.349421807 11.14478921 3.9944 3.356728882 11.18705184 4.0068 3.364027904 11.22915775 4.0192 3.371322829 11.27110987 4.0316 3.37877361 11.31314329 4.044 3.386386762 11.35525937 4.0564 3.393984181 11.3972246 4.0688 3.401576277 11.43903498 4.0812 3.409234023 11.4808047 4.0936 3.417146754 11.52278577 4.106 3.425049489 11.56462122 4.1184 3.432936596 11.60630233 4.1308 3.44081086 11.64783582 4.1432 3.448970355 11.68961918 4.1556 3.457169592 11.73133077 4.168 3.465353846 11.77289587 4.1804 3.473524279 11.81431212 4.1928 3.481800849 11.85574701 4.2052 3.49030002 11.897344 4.2176 3.498782132 11.93879711 4.23 3.507247235 11.98010781 4.2424 3.515699215 12.02127867 4.2548 3.524390826 12.0626378 4.2672 3.533173294 12.10399164 4.2796 3.541936781 12.14520548 4.292 3.550681371 12.18628074 4.3044 3.559407152 12.22721879 4.3168 3.568476601 12.26845651 4.3292 3.577538533 12.3095809 4.3416 3.586580787 12.35056524 4.354 3.595605027 12.39141943 4.3664 3.604629303 12.43216604 4.3788 3.613997408 12.47321038 4.3912 3.623343972 12.51411689 4.4036 3.632663324 12.55489318 4.416 3.641964039 12.59553897 4.4284 3.65125507 12.63606599 4.4408 3.660905318 12.67690529 4.4532 3.670528761 12.71760911 4.4656 3.680130738 12.75818805 4.478 3.689709867 12.79863504 4.4904 3.69926423 12.83895852 4.5028 3.709139102 12.87953854 4.5152 3.719047696 12.92005479 4.5276 3.728929693 12.96044817 4.54 3.738790888 13.00071372 4.5524 3.748623323 13.04085414 4.5648 3.758648893 13.0811101 4.5772 3.76884026 13.12145026 4.5896 3.779008125 13.16166792 4.602 3.789149167 13.20176319 4.6144 3.799259102 13.24173968 4.6268 3.809365518 13.281595 4.6392 3.81984354 13.32137022 4.6516 3.830296564 13.3610281 4.664 3.840717891 13.40056767 4.6764 3.851113668 13.4399954 4.6888 3.861482634 13.47930444 4.7012 3.871989039 13.51859457 4.7136 3.88273052 13.55792006 4.726 3.893440005 13.59712746 4.7384 3.904122595 13.6362265 4.7508 3.914776096 13.67521378 4.7632 3.925400743 13.71409024 4.7756 3.936244392 13.75310946 4.788 3.947251123 13.79221851 4.8004 3.95822487 13.83121268 4.8128 3.969171617 13.87009817 4.8252 3.980084942 13.90887401 4.8376 3.990970798 13.9475463 4.85 4.002075756 13.98635443 4.8624 4.01335282 14.02525582 4.8748 4.024595004 14.06404867 4.8872 4.035805876 14.10273481 4.8996 4.046988964 14.14131605 4.912 4.058138914 14.17978813 4.9244 4.069423569 14.21831594 4.9368 4.080970987 14.25702368 4.9492 4.092485872 14.29562663 4.9616 4.103968497 14.33412562 4.974 4.115420052 14.3725183 4.9864 4.126838959 14.41081191 4.9988 4.1382296 14.44900496 5.0112 4.150034004 14.4875078 5.0236 4.16182595 14.52593182 5.036 4.173588797 14.56425224 5.0484 4.185314647 14.6024744 5.0608 4.197007867 14.64059681 5.0732 4.208672777 14.67861801 5.0856 4.220470063 14.7166901 5.098 4.232547543 14.75494353 5.1104 4.244590922 14.79309812 5.1228 4.256599591 14.83115775 5.1352 4.268575623 14.86911692 5.1476 4.280518398 14.9069795 5.16 4.29242819 14.94474623 5.1724 4.304556081 14.98263672 5.1848 4.316891613 15.02063425 5.1972 4.329189354 15.05853514 5.2096 4.341454856 15.09634493 5.222 4.353684038 15.13405645 5.2344 4.36587849 15.1716774 5.2468 4.37804328 15.20920323 5.2592 4.39039902 15.24682602 5.2716 4.40299556 15.28458275 5.284 4.415556781 15.32224663 5.2964 4.428079969 15.35981745 5.3088 4.44057143 15.39729764 5.3212 4.453028434 15.43468698 5.3336 4.465451261 15.47198614 5.346 4.477916176 15.50925637 5.3584 4.490780687 15.54678459 5.3708 4.503609287 15.58422268 5.3832 4.516402269 15.62157129 5.3956 4.529159923 15.65883104 5.408 4.541885475 15.69600343 5.4204 4.554573322 15.73308737 5.4328 4.567227535 15.7700814 5.4452 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