How to create a crystal in CrystalMaker if you don't know the lattice parameters?

08 October 2022 0 4K Report

Hi!

I'm trying to create crystals in CrystalMaker for new MAX phases. I know the symmetry and coordinates of atoms, but don't know the lattice parameters. What do you do in this situation? Can you calculate them somehow from atomic potentials?

Badges
Science topic

More Stepan Vorotilo's questions See All

How to calculate chemical potential of elements during annealing?

Hi! I'm doing annealing experiments on ceramics. I know the temperature, pressure, and chemical and phase composition of the solid material and gas. How do I calculate the chemical potential of...

29 August 2022 534 0 View

Do body centered cubic (BCC) single crystals exist?

It is quite common for FCC structured nickel based super alloys to be manufactured as a large single crystals for turbine applications. I am wondering, whether usual manufacturing techniques of...

15 November 2021 7,360 4 View

What bacteriostatic substance should I use to inhibit bacterial cell division but maintain the protein production?

Hi, I am working on a project in which I am transforming a DNA library contatining vector into E. coli bacterial cells. I need the cells to produce my protein of interrest (also coded in the...

15 November 2021 8,618 2 View

How to get/count refractive index in gasses?

Good afternoon I need to be able to determine refractive indexes of gas state of organic solutions. For example dichloromethane, I know it´s density and refractive index while in liquid state but...

20 February 2021 8,651 6 View

Can FE modeling of ceramic nano-precipitates be done with unknown critical stress data?

Greetings! I'm trying to do FE modeling of the copped reinforced by Cu3Ti3O nano-precipitates, in particular, I want to model the fracture of the precipitates and matrix under the tensile loading....

28 January 2020 6,541 0 View

SDS-Page sample is faster than standard, how it is possible?

Hi, I am using 10% gel for determination of molecule weight of casein agregates made by transglutaminase running with standard (Spectra Multicolor Broad Range Protein Ladder). Problem is that the...

18 November 2019 8,539 6 View

Are there Ti-Ni-Al-W amorphous alloys?

I've recently came across a strange 38%Ti-26%Ni-25%Al-11%W alloy, which we received instead of supposed Ti-Al-V samples. Seems this alloy is mostly amorphoys, the SAED pattern is a halo. I was...

29 November 2018 1,070 3 View

How can I etch the MgF2 from the powder mixture?

Dear colleagues, I am in a dire need of your help. After the synthesis I have the mixture of TaSi2, TaC, SiC, Si3N4 and MgF2. I need to clear my mixture from the MgF2. What kind of acid etching...

15 March 2018 8,458 3 View

А hypothesis about the predominantly gravitational nature of redshift in the electromagnetic spectra of space objects

The study theoretically substantiates the relationship between the redshift in the electromagnetic spectrum of space objects and their gravity and demonstrates it with computational experiments....

01 January 1970 6,394 3 View

Does anybody know how to convert a CrystalMaker CMDX file format to CMDF?

Older version of SingleCrystal doesn't recognise CMDX file format.

05 June 2022 3,276 3 View

How can I export all information for a crystal structure, in a single file in VESTA or CrystalMaker?

I want to create a data file, including the positions of atoms, bonds, angles, and dihedrals for CH3NH3PbI3 perovskite. Can I do this with VESTA or CrystalMaker?

11 September 2021 7,814 3 View

Can anyone tell me about their experience using the software CrystalMaker, CrystalDiffact and SingleCrystal?

I am contemplating purchasing this software and would like people's opinion.

08 September 2018 2,258 10 View

Can anyone tell me about their experience using the software CrystalMaker, CrystalDiffact and SingleCrystal?

I am contemplating purchasing this software and would like people's opinion.

05 September 2018 5,521 9 View

Can you display screw dislocations in CrystalMaker?

I am just learning CrystalMaker and I am trying to do a screw dislocation. I can make a simple lattice, but I can't quite figure out how to select and move atoms. Any hints?

06 July 2018 6,593 0 View

How to make a heterostructures in Vesta?

Once i got a graphene unite cell in vesta, i import (edit->new phase->import) a MoS2 structure, and in this way i've a heterostructure.That is i am able to save it as file.xyz but i 'm not...

04 May 2017 8,147 8 View

How can I arrange atoms of my PDB file from CrystalMaker software?

Hi, I am performing MD simulations of ZnO nanocluster. I created nanocluster in Material Studio but atoms are not arranged. Can any1 help me to arrange the atoms in PDB file using CrystalMaker...

03 April 2015 2,653 3 View

Free version of CRYSTALMAKER SOFTWARE?

Is free version of CRYSTALMAKER software available for download? I downloaded demo version but that does not allow to save file.

03 April 2015 4,954 2 View

How can I simulate the folded layer of graphene ?

Has anyone done that work? Which kind of software can do that job? Crystalmaker or ? See appendix for reference file. Thank you.

22 March 2015 751 3 View

How can I simulate the folded layer of graphene ?

Has anyone done that work? Which kind of software can do that job? Crystalmaker or ? See appendix for reference file. Thank you.

02 March 2015 9,628 4 View