1503 Indium arsenide (InAs)
(Previous) Tri-potassium bis(nitrilotriacetato)-indium(iii) pentahydrate (ZUFXAZ)
(Back) Elements:
In 1
As 1
(Z = 32)
(Periodic Table)
(Next) Indium hexafluoroarsenate (InAsF6) (ICSD 417952)
Related binary compounds: Aluminum phosphide (AlP), Aluminum arsenide (AlAs), Aluminum antimonide (AlSb), Zinc sulfide (ZnS), Gallium arsenide (GaAs), Germanium telluride (GeTe) (cubic), Cadmium telluride (CdTe) Indium arsenide (InAs), Tin selenide (SnSe), Mercury telluride (HgTe), Lead selenide (PbSe), Lead telluride (PbTe)
Unit Cell Parameters: a b c alpha beta gamma Volume Density Heat of Formation (Kcal/mol)
X-ray: 6.06 6.06 6.06 90.00 90.00 90.00 27.78 5.670 -232.9 calc'd using PM7
PM7: 6.14 6.15 6.15 90.03 89.94 90.01 29.07 5.420 -13.5 calc'd using PM7 (ref: -14.0)
PM6: 5.97 5.97 5.97 90.00 90.00 90.00 26.58 5.927 -17.6 calc'd using PM6
X-Ray PM7 PM6
X-Ray data set:
GRADIENTS 1SCF MERS=(4,4,4) BCC SYMMETRY
Indium arsenide (InAs)
H=-14.0 hr=crc05
In 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
As 2.62300000 +1 0.0000000 +0 0.0000000 +0 1 0 0
In 7.86900000 +0 38.9424410 +0 0.0000000 +0 2 1 0
As 2.62300000 +0 38.9424410 +0 180.0000000 +0 3 2 1
In 5.02266261 +0 58.5178460 +0 -30.0000000 +0 4 3 1
As 2.62300000 +0 58.5178460 +0 180.0000000 +0 5 4 3
In 7.86900000 +0 38.9424410 +0 120.0000000 +0 6 5 1
As 2.62300000 +0 38.9424410 +0 180.0000000 +0 7 6 5
In 8.95925062 +0 95.6004090 +0 -73.8978860 +0 8 7 3
As 2.62300000 +0 95.6004090 +0 180.0000000 +0 9 8 7
In 7.86900000 +0 38.9424410 +0 30.0000000 +0 10 9 5
As 2.62300000 +0 38.9424410 +0 180.0000000 +0 11 10 9
In 5.02266261 +0 58.5178460 +0 -90.0000000 +0 12 11 5
As 2.62300000 +0 58.5178460 +0 180.0000000 +0 13 12 11
In 7.86900000 +0 38.9424410 +0 120.0000000 +0 14 13 9
As 2.62300000 +0 38.9424410 +0 180.0000000 +0 15 14 13
In 9.93051773 +0 116.1182670 +0 13.8978860 +0 16 15 11
As 2.62300000 +0 116.1182670 +0 180.0000000 +0 17 16 15
In 7.86900000 +0 38.9424410 +0 -90.0000000 +0 18 17 5
As 2.62300000 +0 38.9424410 +0 180.0000000 +0 19 18 17
In 8.95925062 +0 95.6004090 +0 46.1021140 +0 20 19 3
As 2.62300000 +0 95.6004090 +0 180.0000000 +0 21 20 19
In 7.86900000 +0 38.9424410 +0 -90.0000000 +0 22 21 9
As 2.62300000 +0 38.9424410 +0 180.0000000 +0 23 22 21
In 5.02266261 +0 58.5178460 +0 30.0000000 +0 24 23 5
As 2.62300000 +0 58.5178460 +0 180.0000000 +0 25 24 23
In 7.86900000 +0 38.9424410 +0 -120.0000000 +0 26 25 9
As 2.62300000 +0 38.9424410 +0 180.0000000 +0 27 26 25
In 8.95925062 +0 95.6004090 +0 46.1021140 +0 28 27 11
As 2.62300000 +0 95.6004090 +0 180.0000000 +0 29 28 27
In 7.86900000 +0 38.9424410 +0 30.0000000 +0 30 29 25
As 2.62300000 +0 38.9424410 +0 180.0000000 +0 31 30 29
In 9.93051773 +0 116.1182670 +0 133.8978860 +0 32 31 13
As 2.62300000 +0 116.1182670 +0 180.0000000 +0 33 32 31
In 7.86900000 +0 38.9424410 +0 -90.0000000 +0 34 33 21
As 2.62300000 +0 38.9424410 +0 180.0000000 +0 35 34 33
In 5.02266261 +0 58.5178460 +0 60.0000000 +0 36 35 23
As 2.62300000 +0 58.5178460 +0 180.0000000 +0 37 36 35
In 7.86900000 +0 38.9424410 +0 -90.0000000 +0 38 37 25
As 2.62300000 +0 38.9424410 +0 180.0000000 +0 39 38 37
In 8.95925062 +0 95.6004090 +0 76.1021140 +0 40 39 27
As 2.62300000 +0 95.6004090 +0 -28.2724940 +0 41 40 19
In 7.86900000 +0 38.9424410 +0 -90.0000000 +0 42 41 29
As 2.62300000 +0 38.9424410 +0 180.0000000 +0 43 42 41
In 5.02266261 +0 58.5178460 +0 -90.0000000 +0 44 43 37
As 2.62300000 +0 58.5178460 +0 180.0000000 +0 45 44 43
In 7.86900000 +0 38.9424410 +0 30.0000000 +0 46 45 43
As 2.62300000 +0 38.9424410 +0 0.0000000 +0 47 46 25
In 9.93051773 +0 116.1182670 +0 133.8978860 +0 48 47 31
As 2.62300000 +0 116.1182670 +0 65.4161090 +0 49 48 27
In 7.86900000 +0 38.9424410 +0 -120.0000000 +0 50 49 33
As 2.62300000 +0 38.9424410 +0 180.0000000 +0 51 50 49
In 8.95925062 +0 95.6004090 +0 76.1021140 +0 52 51 39
As 2.62300000 +0 95.6004090 +0 180.0000000 +0 53 52 51
In 7.86900000 +0 38.9424410 +0 -90.0000000 +0 54 53 41
As 2.62300000 +0 38.9424410 +0 180.0000000 +0 55 54 53
In 5.02266261 +0 58.5178460 +0 60.0000000 +0 56 55 43
As 2.62300000 +0 58.5178460 +0 -33.5573100 +0 57 56 37
In 7.86900000 +0 38.9424410 +0 -90.0000000 +0 58 57 45
As 2.62300000 +0 38.9424410 +0 0.0000000 +0 59 58 37
In 8.95925062 +0 95.6004090 +0 -73.8978860 +0 60 59 55
As 2.62300000 +0 95.6004090 +0 180.0000000 +0 61 60 59
In 7.86900000 +0 38.9424410 +0 30.0000000 +0 62 61 57
As 2.62300000 +0 38.9424410 +0 0.0000000 +0 63 62 41
XX 4.28334106 +0 122.9789620 +0 -143.4132240 +0 7 6 5
XX 4.28334106 +0 103.8302250 +0 -88.6167320 +0 29 28 27
XX 4.28334106 +0 76.1697750 +0 91.3832680 +0 53 52 51
Tv 12.11511805 +0 0.0000000 +0 0.0000000 +0 1 65 2
Tv 12.11511805 +0 0.0000000 +0 0.0000000 +0 1 66 2
Tv 12.11511805 +0 0.0000000 +0 0.0000000 +0 1 67 2
Optimized PM7 data set:
MERS=(4,4,4) BCC OPT GNORM=4
Indium arsenide (InAs)
H=-14.0 hr=crc05
In 0.12592715 +1 -0.01650810 +1 0.02204346 +1
As 2.79489129 +1 -0.02176911 +1 0.02936242 +1
In -3.42812963 +1 5.02045680 +1 0.02207849 +1
As -0.76039879 +1 5.01428314 +1 0.02821270 +1
In -3.43704819 +1 1.24308642 +1 2.19434550 +1
As -0.76617763 +1 1.23723520 +1 2.20240714 +1
In -6.98929145 +1 6.27793851 +1 2.19449230 +1
As -4.32152207 +1 6.27285605 +1 2.20293585 +1
In -3.44456261 +1 -2.53380400 +1 4.36820253 +1
As -0.77575135 +1 -2.53929741 +1 4.37621344 +1
In -6.99780819 +1 2.49949538 +1 4.36541173 +1
As -4.32876157 +1 2.49673721 +1 4.37597668 +1
In -7.00470685 +1 -1.27495619 +1 6.54029992 +1
As -4.33534511 +1 -1.28000150 +1 6.54991579 +1
In -10.55814597 +1 3.76083256 +1 6.53640423 +1
As -7.88932728 +1 3.75464963 +1 6.54489186 +1
In -3.43027629 +1 1.25158700 +1 -2.16514028 +1
As -0.76194233 +1 1.24589639 +1 -2.15720734 +1
In -6.98290830 +1 6.28851189 +1 -2.16589523 +1
As -4.31359167 +1 6.28138599 +1 -2.15838460 +1
In -3.43828641 +1 -2.52481727 +1 0.00698874 +1
As -0.76927182 +1 -2.52919075 +1 0.01461316 +1
In -6.99289346 +1 2.51093257 +1 0.00622016 +1
As -4.32352617 +1 2.50564298 +1 0.01474533 +1
In -6.99972060 +1 -1.26496466 +1 2.17930173 +1
As -4.32992456 +1 -1.27048663 +1 2.18783557 +1
In -10.55211255 +1 3.76835016 +1 2.17861422 +1
As -7.88405284 +1 3.76443451 +1 2.18708998 +1
In -7.00797069 +1 -5.04241408 +1 4.35179802 +1
As -4.33983367 +1 -5.04671232 +1 4.35799203 +1
In -10.56166482 +1 -0.00870207 +1 4.35153143 +1
As -7.89053507 +1 -0.01361914 +1 4.35984321 +1
In -3.43416194 +1 -2.51525530 +1 -4.35361628 +1
As -0.76639058 +1 -2.52034385 +1 -4.34529171 +1
In -6.98735419 +1 2.51858477 +1 -4.35530444 +1
As -4.31804192 +1 2.51475043 +1 -4.34576559 +1
In -6.99562329 +1 -1.25644768 +1 -2.18229817 +1
As -4.32633416 +1 -1.26153156 +1 -2.17270016 +1
In -10.54712469 +1 3.77936640 +1 -2.18253438 +1
As -7.87803213 +1 3.77257763 +1 -2.17518733 +1
In -7.00127456 +1 -5.03196273 +1 -0.00872683 +1
As -4.33358757 +1 -5.03805679 +1 -0.00123736 +1
In -10.55482095 +1 0.00300206 +1 -0.00899987 +1
As -7.88521473 +1 -0.00224364 +1 -0.00150484 +1
In -10.56247380 +1 -3.77389803 +1 2.16336510 +1
As -7.89413800 +1 -3.77924228 +1 2.17139554 +1
In -14.11658212 +1 1.25964426 +1 2.16336067 +1
As -11.44750445 +1 1.25577826 +1 2.17203362 +1
In -6.98938717 +1 -1.24742552 +1 -6.54437006 +1
As -4.31872230 +1 -1.25082783 +1 -6.53448766 +1
In -10.54106833 +1 3.78762312 +1 -6.54297062 +1
As -7.87187373 +1 3.78210281 +1 -6.53636189 +1
In -6.99656294 +1 -5.02342820 +1 -4.36980177 +1
As -4.32907439 +1 -5.02811558 +1 -4.36276416 +1
In -10.54991289 +1 0.01145209 +1 -4.37012889 +1
As -7.88050819 +1 0.00545784 +1 -4.36238573 +1
In -10.55587913 +1 -3.76413331 +1 -2.19537087 +1
As -7.88837346 +1 -3.76998344 +1 -2.18961766 +1
In -14.10880536 +1 1.27028520 +1 -2.19678122 +1
As -11.44069784 +1 1.26554227 +1 -2.19049757 +1
In -10.56564302 +1 -7.54327082 +1 -0.02267332 +1
As -7.89523627 +1 -7.54579896 +1 -0.01656332 +1
In -14.11971911 +1 -2.50720020 +1 -0.02705091 +1
As -11.44914841 +1 -2.51002293 +1 -0.01699380 +1
Tv -7.08267854 +1 10.04448288 +1 0.00084256 +1
Tv -7.12601745 +1 -5.02693280 +1 8.67612616 +1
Tv -7.09588924 +1 -4.98629217 +1 -8.72713964 +1
Optimized PM6 data set:
GRADIENTS MERS=(4,4,4) BCC SYMMETRY GNORM=4 PM6
Indium arsenide (InAs)
H=-14.0 hr=crc05 In-As = 2.623
In 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
As 2.58449284 +1 0.0000000 +0 0.0000000 +0 1 0 0
In 7.75347853 +0 38.9424410 +0 0.0000000 +0 2 1 0
As 2.58449284 +0 38.9424410 +0 180.0000000 +0 3 2 1
In 4.94892702 +0 58.5178460 +0 -30.0000000 +0 4 3 1
As 2.58449284 +0 58.5178460 +0 180.0000000 +0 5 4 3
In 7.75347853 +0 38.9424410 +0 120.0000000 +0 6 5 1
As 2.58449284 +0 38.9424410 +0 180.0000000 +0 7 6 5
In 8.82772364 +0 95.6004090 +0 -73.8978860 +0 8 7 3
As 2.58449284 +0 95.6004090 +0 180.0000000 +0 9 8 7
In 7.75347853 +0 38.9424410 +0 30.0000000 +0 10 9 5
As 2.58449284 +0 38.9424410 +0 180.0000000 +0 11 10 9
In 4.94892702 +0 58.5178460 +0 -90.0000000 +0 12 11 5
As 2.58449284 +0 58.5178460 +0 180.0000000 +0 13 12 11
In 7.75347853 +0 38.9424410 +0 120.0000000 +0 14 13 9
As 2.58449284 +0 38.9424410 +0 180.0000000 +0 15 14 13
In 9.78473198 +0 116.1182670 +0 13.8978860 +0 16 15 11
As 2.58449284 +0 116.1182670 +0 180.0000000 +0 17 16 15
In 7.75347853 +0 38.9424410 +0 -90.0000000 +0 18 17 5
As 2.58449284 +0 38.9424410 +0 180.0000000 +0 19 18 17
In 8.82772364 +0 95.6004090 +0 46.1021140 +0 20 19 3
As 2.58449284 +0 95.6004090 +0 180.0000000 +0 21 20 19
In 7.75347853 +0 38.9424410 +0 -90.0000000 +0 22 21 9
As 2.58449284 +0 38.9424410 +0 180.0000000 +0 23 22 21
In 4.94892702 +0 58.5178460 +0 30.0000000 +0 24 23 5
As 2.58449284 +0 58.5178460 +0 180.0000000 +0 25 24 23
In 7.75347853 +0 38.9424410 +0 -120.0000000 +0 26 25 9
As 2.58449284 +0 38.9424410 +0 180.0000000 +0 27 26 25
In 8.82772364 +0 95.6004090 +0 46.1021140 +0 28 27 11
As 2.58449284 +0 95.6004090 +0 180.0000000 +0 29 28 27
In 7.75347853 +0 38.9424410 +0 30.0000000 +0 30 29 25
As 2.58449284 +0 38.9424410 +0 180.0000000 +0 31 30 29
In 9.78473198 +0 116.1182670 +0 133.8978860 +0 32 31 13
As 2.58449284 +0 116.1182670 +0 180.0000000 +0 33 32 31
In 7.75347853 +0 38.9424410 +0 -90.0000000 +0 34 33 21
As 2.58449284 +0 38.9424410 +0 180.0000000 +0 35 34 33
In 4.94892702 +0 58.5178460 +0 60.0000000 +0 36 35 23
As 2.58449284 +0 58.5178460 +0 180.0000000 +0 37 36 35
In 7.75347853 +0 38.9424410 +0 -90.0000000 +0 38 37 25
As 2.58449284 +0 38.9424410 +0 180.0000000 +0 39 38 37
In 8.82772364 +0 95.6004090 +0 76.1021140 +0 40 39 27
As 2.58449284 +0 95.6004090 +0 -28.2724940 +0 41 40 19
In 7.75347853 +0 38.9424410 +0 -90.0000000 +0 42 41 29
As 2.58449284 +0 38.9424410 +0 180.0000000 +0 43 42 41
In 4.94892702 +0 58.5178460 +0 -90.0000000 +0 44 43 37
As 2.58449284 +0 58.5178460 +0 180.0000000 +0 45 44 43
In 7.75347853 +0 38.9424410 +0 30.0000000 +0 46 45 43
As 2.58449284 +0 38.9424410 +0 0.0000000 +0 47 46 25
In 9.78473198 +0 116.1182670 +0 133.8978860 +0 48 47 31
As 2.58449284 +0 116.1182670 +0 65.4161090 +0 49 48 27
In 7.75347853 +0 38.9424410 +0 -120.0000000 +0 50 49 33
As 2.58449284 +0 38.9424410 +0 180.0000000 +0 51 50 49
In 8.82772364 +0 95.6004090 +0 76.1021140 +0 52 51 39
As 2.58449284 +0 95.6004090 +0 180.0000000 +0 53 52 51
In 7.75347853 +0 38.9424410 +0 -90.0000000 +0 54 53 41
As 2.58449284 +0 38.9424410 +0 180.0000000 +0 55 54 53
In 4.94892702 +0 58.5178460 +0 60.0000000 +0 56 55 43
As 2.58449284 +0 58.5178460 +0 -33.5573100 +0 57 56 37
In 7.75347853 +0 38.9424410 +0 -90.0000000 +0 58 57 45
As 2.58449284 +0 38.9424410 +0 0.0000000 +0 59 58 37
In 8.82772364 +0 95.6004090 +0 -73.8978860 +0 60 59 55
As 2.58449284 +0 95.6004090 +0 180.0000000 +0 61 60 59
In 7.75347853 +0 38.9424410 +0 30.0000000 +0 62 61 57
As 2.58449284 +0 38.9424410 +0 0.0000000 +0 63 62 41
XX 4.22045914 +0 122.9789620 +0 -143.4132240 +0 7 6 5
XX 4.22045914 +0 103.8302250 +0 -88.6167320 +0 29 28 27
XX 4.22045914 +0 76.1697750 +0 91.3832680 +0 53 52 51
Tv 11.93726111 +0 0.0000000 +0 0.0000000 +0 1 65 2
Tv 11.93726111 +0 0.0000000 +0 0.0000000 +0 1 66 2
Tv 11.93726111 +0 0.0000000 +0 0.0000000 +0 1 67 2