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  1. Third-Parties
  2. MatprojStructure
  3. mp-10706

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-10706
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 5
  • Number of elements: 3
  • Element list: ['Zr', 'Ru', 'C']
  • Chemical System: C-Ru-Zr
  • Density: 9.774537527634694
  • Atomic Density: 0.07241285330533347
  • Unit Cell Volume: 69.04851517060345
  • Molar Volume: 8.316397552527388
  • Full Formula: Zr1 Ru3 C1
  • Reduced Formula: ZrRu3C
  • Formula Anonymous: ABC3
  • Spacegroup Number: 221
  • Spacegroup Symbol: Pm-3m
  • Crystal System: cubic
  • Pointgroup: m-3m

Thermodynamics:

  • Final energy: -47.23188876
  • Final energy per atom: -9.446377752
  • 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.