Building Boron Carbide in Materials Studio: Is It Possible?

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Discussion Overview

The discussion centers on the feasibility of building boron carbide (B4C) using Materials Studio, with participants seeking information on its lattice parameters and atomic positions within the unit cell. The conversation includes inquiries about existing literature and the chemical structure of boron carbide.

Discussion Character

  • Exploratory, Technical explanation, Homework-related

Main Points Raised

  • One participant requests information on the lattice parameters and atomic positions of boron carbide to construct its structure in Materials Studio.
  • Another participant suggests a specific publication that discusses the atomic structure and vibrational properties of boron carbide.
  • Some participants note that the suggested literature does not provide the exact atomic coordinates needed for the unit cell.
  • There is a claim that the chemical structure of boron carbide remains unknown, indicating uncertainty in the community regarding its precise configuration.
  • A participant expresses interest in whether another user successfully built boron carbide in Materials Studio, indicating ongoing exploration of the topic.

Areas of Agreement / Disagreement

Participants do not reach a consensus on the availability of precise atomic positions for boron carbide, and there are competing views regarding the completeness of the literature referenced.

Contextual Notes

The discussion highlights limitations in available literature regarding the exact coordinates of atoms in boron carbide, as well as the uncertainty surrounding its chemical structure.

gungunlin
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does anyone know the structure of boron carbide (B4C)? i need boron carbide's lattice parameter and the atom positions in the unit cell, as i want to build the structure by materials studio.
does anybody know how to get it? thank you very much!
 
Engineering news on Phys.org
Try - Atomic Structure and Vibrational Properties of Icosahedral B4C Boron Carbide
http://people.sissa.it/~dalcorso/publications/PRL-83-3230-1999.pdf
 
Last edited by a moderator:
Astronuc said:
Try - Atomic Structure and Vibrational Properties of Icosahedral B4C Boron Carbide
http://people.sissa.it/~dalcorso/publications/PRL-83-3230-1999.pdf

this literature doesnot give the exact positions of atoms, e.g.the coordinates of atoms in the cell. but regardless, thanks for your kind reply.
 
Last edited by a moderator:
gungunlin said:
this literature doesnot give the exact positions of atoms, e.g.the coordinates of atoms in the cell. but regardless, thanks for your kind reply.

I have heard that the chemical structure of boron carbide is unknown
 
Gungunlin,

Were you ever able to make boron carbide in Materials Studio? I am about to do that. Thank you.
 

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