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  1. Third-Parties
  2. MatprojStructure
  3. mp-1216149

Entry Data

Table mix-ins: ['Structure', 'Thermodynamics'] Extra columns: ['energy_uncorrected', 'band_gap', 'is_gap_direct', 'is_magnetic', 'total_magnetization', 'is_theoretical']

Base Information:

  • Database Entry ID: mp-1216149
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 15
  • Number of elements: 3
  • Element list: ['Zr', 'U', 'Ti']
  • Chemical System: Ti-U-Zr
  • Density: 15.446538099027887
  • Atomic Density: 0.052396857070743895
  • Unit Cell Volume: 286.2767127377062
  • Molar Volume: 11.493324402777011
  • Full Formula: Zr1 U10 Ti4
  • Reduced Formula: Zr(U5Ti2)2
  • Formula Anonymous: AB4C10
  • Spacegroup Number: 65
  • Spacegroup Symbol: Cmmm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -153.48518898
  • Final energy per atom: -10.232345932
  • Energy above hull: None
  • Is thermodynamically stable?: None
  • Decomposes to: None
  • Formation energy None
  • Formation energy per atom: None
Note: stabilities and hull energies are updated on a running schedule, so newer materials may have these fields blank.