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  1. Third-Parties
  2. MatprojStructure
  3. mp-972176

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-972176
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 18
  • Number of elements: 3
  • Element list: ['Zr', 'Al', 'C']
  • Chemical System: Al-C-Zr
  • Density: 5.384150879872501
  • Atomic Density: 0.053146994947441815
  • Unit Cell Volume: 338.6833068887635
  • Molar Volume: 11.331103039702286
  • Full Formula: Zr10 Al6 C2
  • Reduced Formula: Zr5Al3C
  • Formula Anonymous: AB3C5
  • Spacegroup Number: 193
  • Spacegroup Symbol: P6_3/mcm
  • Crystal System: hexagonal
  • Pointgroup: 6/mmm

Thermodynamics:

  • Final energy: -135.48136771
  • Final energy per atom: -7.526742650555556
  • 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.