Extended Data Fig. 5: DFT calculations of monolayer Nb3Cl8 and Nb3SeI7 tube rolling along [\(\bar{1}20\)].
From: Near-100% spontaneous rolling up of polar van der Waals materials
![Extended Data Fig. 5: DFT calculations of monolayer Nb3Cl8 and Nb3SeI7 tube rolling along [
$$\bar{1}20$$
1
¯
20
].](http://media.springernature.com/full/springer-static/esm/art%3A10.1038%2Fs41563-025-02357-w/MediaObjects/41563_2025_2357_Fig10_ESM.jpg?as=webp)
a, The total energy (E) as a function of bending curvature (ϰ) for Nb3Cl8 tube models rolling along [\(\bar{1}20\)], where the energy of the 2D flake structures is set as zero. b, The total energy (E) as a function of bending curvature (ϰ) for Nb3SeI7 tube models rolling along [\(\bar{1}20\)], where the energy of the 2D flake structures is set as zero. R, Rc, and D represent the radius, the energy-minimizing radius, and the flexural rigidity, respectively.
