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Mathematica code for Numerical SFG calculation

Figshare2024-12-16 更新2026-04-28 收录

和频发生光谱模拟

晶体结构表征

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Mathematica code for Numerical SFG calculation with the Directional access of crystalline domain

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2024-12-16

新型磁性材料合成

晶体结构表征

The compound Ba4Fe2I5S4 has been prepared at 1223−1123 K by the “U-assisted” reaction of FeS, BaS, S, and U with BaI2 as a flux. A more rational synthesis was also found; however, the presence of U ap

NIAID Data Ecosystem70

Materials Data on LiGdO3 by Materials Project

钙钛矿材料计算

晶体结构表征

LiGdO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Li is bonded to six equivalent O atoms to form LiO6 octahedra that share co

DataCite Commons2021-02-04 更新70

Materials Data on K2TlGaCl6 by Materials Project

计算材料学

晶体结构表征

K2TlGaCl6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. K1+ is bonded to twelve equivalent Cl1- atoms to form KCl12 cubo

DataCite Commons2021-02-04 更新60

E 2 (CN) 2 (E = S, Se) and Related Compounds

无机合成

晶体结构表征

A synthetic, spectroscopic, and theoretical study of Ex(CN)2 (E = S, Se; x = 1−3) is described. The X-ray structures of Se2(CN)2 and Se3(CN)2 have been determined. Se2(CN)2 crystallizes in a chiral sp

NIAID Data Ecosystem70

Materials Data on La2Ta2O9 by Materials Project

晶体结构表征

计算材料学

La2Ta2O9 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. La is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of La–O bond distances rangi

DataCite Commons2021-02-05 更新60

Mathematica code for Numerical SFG calculation

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