# Fileset

[Sn3Zr5_mp_4296617946.dat](https://mdr.nims.go.jp/filesets/4c3e2ef3-615c-4c24-9400-38949fb36d86/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 Zr10Sn6 / (P6_3/mcm, #193, Hexagonal) / AtomWork-Adv Material ID 4296617946](https://mdr.nims.go.jp/datasets/cacc521b-fe78-487c-805b-8847ac5c97b1)

## Fulltext

\# Wavelength(um) Real(xyz) Imag(xyz) 0.2000 -2.2286 9.8929 0.2124 -1.2080 10.3021 0.2248 -0.2344 11.4380 0.2372 1.4065 11.0995 0.2496 1.3299 10.5566 0.2620 1.1925 11.2299 0.2744 1.8982 11.9615 0.2868 2.7681 12.2430 0.2992 3.6811 12.0698 0.3116 4.1219 11.4614 0.3240 3.9705 10.9913 0.3364 3.5811 10.9627 0.3488 3.3813 11.3064 0.3612 3.4862 11.6272 0.3736 3.5980 11.7114 0.3860 3.5381 11.7721 0.3984 3.3941 11.9169 0.4108 3.2374 12.1492 0.4232 3.0939 12.4330 0.4356 2.9635 12.7609 0.4480 2.8669 13.1221 0.4604 2.7982 13.4821 0.4728 2.7329 13.8311 0.4852 2.6502 14.1715 0.4976 2.5215 14.5135 0.5100 2.3279 14.9043 0.5224 2.0959 15.4018 0.5348 1.8927 16.0345 0.5472 1.7893 16.7785 0.5596 1.8241 17.5736 0.5720 1.9957 18.3583 0.5844 2.2757 19.0885 0.5968 2.6263 19.7426 0.6092 3.0145 20.3147 0.6216 3.4162 20.8039 0.6340 3.8051 21.2430 0.6464 4.1781 21.6450 0.6588 4.5327 22.0171 0.6712 4.8766 22.3750 0.6836 5.2092 22.7210 0.6960 5.5377 23.0589 0.7084 5.8619 23.3946 0.7208 6.1807 23.7272 0.7332 6.5245 24.0715 0.7456 6.8658 24.4118 0.7580 7.2739 24.7410 0.7704 7.6766 25.0599 0.7828 8.1418 25.3127 0.7952 8.6006 25.5496 0.8076 9.0706 25.7060 0.8200 9.5338 25.8299 0.8324 9.9739 25.9117 0.8448 10.3898 25.9393 0.8572 10.7891 25.9648 0.8696 11.1385 25.9327 0.8820 11.4719 25.8974 0.8944 11.7788 25.8515 0.9068 12.0401 25.7785 0.9192 12.2911 25.7079 0.9316 12.5103 25.6317 0.9440 12.6903 25.5470 0.9564 12.8624 25.4651 0.9688 13.0122 25.3854 0.9812 13.1223 25.3074 0.9936 13.2263 25.2319 1.0060 13.3244 25.1588 1.0184 13.3801 25.0956 1.0308 13.4280 25.0351 1.0432 13.4714 24.9765 1.0556 13.5020 24.9235 1.0680 13.4998 24.8841 1.0804 13.4944 24.8462 1.0928 13.4859 24.8097 1.1052 13.4675 24.7792 1.1176 13.4177 24.7697 1.1300 13.3657 24.7610 1.1424 13.3116 24.7532 1.1548 13.2553 24.7460 1.1672 13.1741 24.7651 1.1796 13.0833 24.7935 1.1920 12.9910 24.8218 1.2044 12.8974 24.8503 1.2168 12.8017 24.8801 1.2292 12.6860 24.9441 1.2416 12.5645 25.0166 1.2540 12.4420 25.0883 1.2664 12.3187 25.1593 1.2788 12.1945 25.2296 1.2912 12.0639 25.3192 1.3036 11.9230 25.4418 1.3160 11.7815 25.5629 1.3284 11.6393 25.6825 1.3408 11.4965 25.8005 1.3532 11.3531 25.9172 1.3656 11.2086 26.0487 1.3780 11.0620 26.2264 1.3904 10.9148 26.4016 1.4028 10.7669 26.5745 1.4152 10.6184 26.7451 1.4276 10.4692 26.9134 1.4400 10.3194 27.0796 1.4524 10.1760 27.2711 1.4648 10.0430 27.5028 1.4772 9.9090 27.7315 1.4896 9.7740 27.9571 1.5020 9.6379 28.1796 1.5144 9.5009 28.3994 1.5268 9.3630 28.6164 1.5392 9.2239 28.8306 1.5516 9.1108 29.0826 1.5640 9.0133 29.3569 1.5764 8.9140 29.6276 1.5888 8.8132 29.8950 1.6012 8.7106 30.1589 1.6136 8.6065 30.4198 1.6260 8.5007 30.6774 1.6384 8.3933 30.9321 1.6508 8.2885 31.1866 1.6632 8.2214 31.4654 1.6756 8.1745 31.7566 1.6880 8.1247 32.0439 1.7004 8.0727 32.3282 1.7128 8.0183 32.6094 1.7252 7.9613 32.8871 1.7376 7.9021 33.1619 1.7500 7.8406 33.4338 1.7624 7.7767 33.7027 1.7748 7.7104 33.9687 1.7872 7.6749 34.2395 1.7996 7.6750 34.5164 1.8120 7.6727 34.7906 1.8244 7.6670 35.0618 1.8368 7.6582 35.3303 1.8492 7.6465 35.5962 1.8616 7.6317 35.8596 1.8740 7.6141 36.1204 1.8864 7.5935 36.3788 1.8988 7.5701 36.6348 1.9112 7.5439 36.8885 1.9236 7.5149 37.1399 1.9360 7.5131 37.3849 1.9484 7.5331 37.6244 1.9608 7.5520 37.8615 1.9732 7.5676 38.0966 1.9856 7.5798 38.3298 1.9980 7.5887 38.5612 2.0104 7.5945 38.7907 2.0228 7.5970 39.0184 2.0352 7.5963 39.2443 2.0476 7.5926 39.4686 2.0600 7.5859 39.6913 2.0724 7.5762 39.9123 2.0848 7.5635 40.1318 2.0972 7.5498 40.3491 2.1096 7.5417 40.5620 2.1220 7.5553 40.7645 2.1344 7.5655 40.9657 2.1468 7.5726 41.1656 2.1592 7.5766 41.3644 2.1716 7.5777 41.5620 2.1840 7.5759 41.7586 2.1964 7.5706 41.9539 2.2088 7.5622 42.1481 2.2212 7.5510 42.3413 2.2336 7.5371 42.5336 2.2460 7.5205 42.7249 2.2584 7.5003 42.9150 2.2708 7.4774 43.1043 2.2832 7.4522 43.2927 2.2956 7.4244 43.4804 2.3080 7.3930 43.6669 2.3204 7.3714 43.8522 2.3328 7.3569 44.0363 2.3452 7.3426 44.2195 2.3576 7.3252 44.4018 2.3700 7.3055 44.5835 2.3824 7.2830 44.7646 2.3948 7.2571 44.9447 2.4072 7.2291 45.1244 2.4196 7.1984 45.3035 2.4320 7.1643 45.4817 2.4444 7.1283 45.6596 2.4568 7.0895 45.8368 2.4692 7.0476 46.0134 2.4816 7.0041 46.1896 2.4940 6.9571 46.3651 2.5064 6.9080 46.5402 2.5188 6.8569 46.7149 2.5312 6.8022 46.8889 2.5436 6.7462 47.0627 2.5560 6.6870 47.2359 2.5684 6.6331 47.4109 2.5808 6.5834 47.5874 2.5932 6.5437 47.7673 2.6056 6.5057 47.9479 2.6180 6.4636 48.1277 2.6304 6.4201 48.3074 2.6428 6.3734 48.4865 2.6552 6.3245 48.6653 2.6676 6.2733 48.8438 2.6800 6.2192 49.0218 2.6924 6.1635 49.1996 2.7048 6.1043 49.3770 2.7172 6.0440 49.5543 2.7296 5.9799 49.7311 2.7420 5.9151 49.9078 2.7544 5.8462 50.0840 2.7668 5.7769 50.2602 2.7792 5.7034 50.4360 2.7916 5.6296 50.6117 2.8040 5.5516 50.7871 2.8164 5.4733 50.9624 2.8288 5.3911 51.1375 2.8412 5.3083 51.3124 2.8536 5.2220 51.4872 2.8660 5.1347 51.6619 2.8784 5.0466 51.8367 2.8908 4.9580 52.0117 2.9032 4.8869 52.1898 2.9156 4.8324 52.3709 2.9280 4.7762 52.5519 2.9404 4.7165 52.7327 2.9528 4.6563 52.9135 2.9652 4.5913 53.0941 2.9776 4.5263 53.2746 2.9900 4.4572 53.4551 3.0024 4.3869 53.6355 3.0148 4.3143 53.8158 3.0272 4.2388 53.9961 3.0396 4.1630 54.1764 3.0520 4.0823 54.3567 3.0644 4.0016 54.5369 3.0768 3.9176 54.7171 3.0892 3.8317 54.8974 3.1016 3.7449 55.0776 3.1140 3.6538 55.2579 3.1264 3.5627 55.4382 3.1388 3.4684 55.6186 3.1512 3.3721 55.7990 3.1636 3.2755 55.9794 3.1760 3.1740 56.1601 3.1884 3.0726 56.3407 3.2008 2.9689 56.5214 3.2132 2.8623 56.7023 3.2256 2.7557 56.8832 3.2380 2.6452 57.0643 3.2504 2.5334 57.2455 3.2628 2.4216 57.4267 3.2752 2.3047 57.6083 3.2876 2.1878 57.7899 3.3000 2.0768 57.9707 3.3124 1.9885 58.1484 3.3248 1.9003 58.3261 3.3372 1.8155 58.5033 3.3496 1.7373 58.6796 3.3620 1.6591 58.8559 3.3744 1.5783 59.0326 3.3868 1.4939 59.2096 3.3992 1.4096 59.3867 3.4116 1.3225 59.5641 3.4240 1.2320 59.7420 3.4364 1.1415 59.9199 3.4488 1.0486 60.0981 3.4612 0.9520 60.2769 3.4736 0.8553 60.4557 3.4860 0.7571 60.6347 3.4984 0.6543 60.8145 3.5108 0.5516 60.9943 3.5232 0.4484 61.1741 3.5356 0.3396 61.3550 3.5480 0.2307 61.5358 3.5604 0.1219 61.7166 3.5728 0.0082 61.8984 3.5852 -0.1067 62.0804 3.5976 -0.2216 62.2624 3.6100 -0.3394 62.4450 3.6224 -0.4603 62.6282 3.6348 -0.5813 62.8114 3.6472 -0.7025 62.9947 3.6596 -0.8295 63.1793 3.6720 -0.9564 63.3638 3.6844 -1.0834 63.5484 3.6968 -1.2136 63.7337 3.7092 -1.3466 63.9197 3.7216 -1.4796 64.1056 3.7340 -1.6125 64.2916 3.7464 -1.7512 64.4791 3.7588 -1.8902 64.6666 3.7712 -2.0291 64.8540 3.7836 -2.1698 65.0420 3.7960 -2.3147 65.2311 3.8084 -2.4596 65.4202 3.8208 -2.6045 65.6093 3.8332 -2.7453 65.7955 3.8456 -2.8825 65.9790 3.8580 -3.0197 66.1625 3.8704 -3.1570 66.3460 3.8828 -3.2776 66.5198 3.8952 -3.3901 66.6886 3.9076 -3.5026 66.8575 3.9200 -3.6151 67.0264 3.9324 -3.7326 67.1971 3.9448 -3.8521 67.3685 3.9572 -3.9716 67.5399 3.9696 -4.0911 67.7113 3.9820 -4.2151 67.8844 3.9944 -4.3415 68.0585 4.0068 -4.4680 68.2325 4.0192 -4.5944 68.4065 4.0316 -4.7242 68.5819 4.0440 -4.8576 68.7587 4.0564 -4.9909 68.9355 4.0688 -5.1242 69.1122 4.0812 -5.2591 69.2896 4.0936 -5.3993 69.4693 4.1060 -5.5395 69.6489 4.1184 -5.6796 69.8285 4.1308 -5.8198 70.0081 4.1432 -5.9657 70.1902 4.1556 -6.1127 70.3728 4.1680 -6.2597 70.5554 4.1804 -6.4067 70.7380 4.1928 -6.5560 70.9216 4.2052 -6.7098 71.1073 4.2176 -6.8635 71.2929 4.2300 -7.0173 71.4786 4.2424 -7.1711 71.6643 4.2548 -7.3296 71.8522 4.2672 -7.4901 72.0411 4.2796 -7.6506 72.2300 4.2920 -7.8111 72.4189 4.3044 -7.9716 72.6077 4.3168 -8.1384 72.7998 4.3292 -8.3056 72.9920 4.3416 -8.4728 73.1842 4.3540 -8.6399 73.3764 4.3664 -8.8075 73.5689 4.3788 -8.9813 73.7646 4.3912 -9.1551 73.9603 4.4036 -9.3288 74.1559 4.4160 -9.5026 74.3516 4.4284 -9.6766 74.5474 4.4408 -9.8570 74.7467 4.4532 -10.0373 74.9460 4.4656 -10.2177 75.1453 4.4780 -10.3980 75.3446 4.4904 -10.5784 75.5439 4.5028 -10.7643 75.7464 4.5152 -10.9512 75.9495 4.5276 -11.1380 76.1525 4.5400 -11.3249 76.3556 4.5524 -11.5117 76.5586 4.5648 -11.7020 76.7637 4.5772 -11.8953 76.9707 4.5896 -12.0886 77.1776 4.6020 -12.2820 77.3846 4.6144 -12.4753 77.5915 4.6268 -12.6677 77.7972 4.6392 -12.8409 77.9761 4.6516 -13.0142 78.1550 4.6640 -13.1874 78.3339 4.6764 -13.3606 78.5128 4.6888 -13.5338 78.6917 4.7012 -13.7090 78.8716 4.7136 -13.8873 79.0532 4.7260 -14.0655 79.2347 4.7384 -14.2438 79.4162 4.7508 -14.4221 79.5978 4.7632 -14.6003 79.7793 4.7756 -14.7826 79.9639 4.7880 -14.9679 80.1508 4.8004 -15.1533 80.3377 4.8128 -15.3386 80.5247 4.8252 -15.5240 80.7116 4.8376 -15.7093 80.8985 4.8500 -15.8985 81.0885 4.8624 -16.0909 81.2810 4.8748 -16.2832 81.4735 4.8872 -16.4756 81.6660 4.8996 -16.6680 81.8584 4.9120 -16.8603 82.0509 4.9244 -17.0551 82.2454 4.9368 -17.2544 82.4436 4.9492 -17.4536 82.6418 4.9616 -17.6529 82.8400 4.9740 -17.8522 83.0382 4.9864 -18.0514 83.2364 4.9988 -18.2507 83.4346 5.0112 -18.4565 83.6384 5.0236 -18.6626 83.8424 5.0360 -18.8687 84.0465 5.0484 -19.0747 84.2506 5.0608 -19.2808 84.4546 5.0732 -19.4869 84.6587 5.0856 -19.6953 84.8649 5.0980 -19.9081 85.0750 5.1104 -20.1209 85.2851 5.1228 -20.3337 85.4952 5.1352 -20.5465 85.7053 5.1476 -20.7593 85.9154 5.1600 -20.9721 86.1256 5.1724 -21.1883 86.3389 5.1848 -21.4077 86.5552 5.1972 -21.6271 86.7716 5.2096 -21.8465 86.9879 5.2220 -22.0659 87.2043 5.2344 -22.2853 87.4206 5.2468 -22.5047 87.6370 5.2592 -22.7270 87.8562 5.2716 -22.9529 88.0790 5.2840 -23.1788 88.3018 5.2964 -23.4047 88.5245 5.3088 -23.6306 88.7473 5.3212 -23.8565 88.9701 5.3336 -24.0824 89.1928 5.3460 -24.3092 89.4166 5.3584 -24.5414 89.6459 5.3708 -24.7737 89.8753 5.3832 -25.0059 90.1047 5.3956 -25.2382 90.3341 5.4080 -25.4704 90.5634 5.4204 -25.7027 90.7928 5.4328 -25.9349 91.0222 5.4452 -26.1709 91.2556 5.4576 -26.4094 91.4917 5.4700 -26.6478 91.7279 5.4824 -26.8863 91.9641 5.4948 -27.1248 92.2003 5.5072 -27.3633 92.4365 5.5196 -27.6018 92.6727 5.5320 -27.8403 92.9088 5.5444 -28.0834 93.1503 5.5568 -28.3279 93.3935 5.5692 -28.5725 93.6367 5.5816 -28.8171 93.8799 5.5940 -29.0617 94.1231 5.6064 -29.3062 94.3663 5.6188 -29.5508 94.6095 5.6312 -29.7954 94.8527 5.6436 -30.0438 95.1006 5.6560 -30.2943 95.3510 5.6684 -30.5448 95.6014 5.6808 -30.7953 95.8518 5.6932 -31.0458 96.1023 5.7056 -31.2963 96.3527 5.7180 -31.5469 96.6031 5.7304 -31.7974 96.8535 5.7428 -32.0479 97.1016 5.7552 -32.2984 97.3414 5.7676 -32.5489 97.5812 5.7800 -32.7993 97.8210 5.7924 -33.0498 98.0608 5.8048 -33.3003 98.3006 5.8172 -33.5508 98.5404 5.8296 -33.8013 98.7802 5.8420 -34.0518 99.0200 5.8544 -34.3027 99.2561 5.8668 -34.5539 99.4885 5.8792 -34.8052 99.7209 5.8916 -35.0564 99.9533 5.9040 -35.3077 100.1857 5.9164 -35.5589 100.4181 5.9288 -35.8102 100.6505 5.9412 -36.0614 100.8829 5.9536 -36.3127 101.1153 5.9660 -36.5664 101.3515 5.9784 -36.8234 101.5931 5.9908 -37.0805 101.8346 6.0032 -37.3376 102.0762 6.0156 -37.5947 102.3178 6.0280 -37.8517 102.5593 6.0404 -38.1088 102.8009 6.0528 -38.3659 103.0424 6.0652 -38.6230 103.2840 6.0776 -38.8800 103.5256 6.0900 -39.1427 103.7765 6.1024 -39.4054 104.0274 6.1148 -39.6681 104.2783 6.1272 -39.9308 104.5293 6.1396 -40.1935 104.7802 6.1520 -40.4561 105.0312 6.1644 -40.7188 105.2821 6.1768 -40.9815 105.5331 6.1892 -41.2442 105.7840 6.2016 -41.5080 106.0368 6.2140 -41.7760 106.2973 6.2264 -42.0441 106.5579 6.2388 -42.3122 106.8184 6.2512 -42.5803 107.0790 6.2636 -42.8484 107.3395 6.2760 -43.1164 107.6001 6.2884 -43.3845 107.8606 6.3008 -43.6526 108.1212 6.3132 -43.9207 108.3817 6.3256 -44.1888 108.6423 6.3380 -44.4620 108.9126 6.3504 -44.7352 109.1830 6.3628 -45.0084 109.4534 6.3752 -45.2817 109.7237 6.3876 -45.5549 109.9941 6.4000 -45.8281 110.2645 6.4124 -46.1014 110.5349 6.4248 -46.3746 110.8053 6.4372 -46.6479 111.0757 6.4496 -46.9211 111.3461 6.4620 -47.1961 111.6201 6.4744 -47.4742 111.9006 6.4868 -47.7524 112.1810 6.4992 -48.0305 112.4615 6.5116 -48.3086 112.7419 6.5240 -48.5868 113.0224 6.5364 -48.8649 113.3028 6.5488 -49.1431 113.5833 6.5612 -49.4212 113.8638 6.5736 -49.6993 114.1442 6.5860 -49.9775 114.4247 6.5984 -50.2569 114.7081 6.6108 -50.5397 114.9988 6.6232 -50.8224 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