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  1. Third-Parties
  2. MatprojStructure
  3. mp-1224508

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-1224508
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 19
  • Number of elements: 3
  • Element list: ['Hf', 'Ru', 'C']
  • Chemical System: C-Hf-Ru
  • Density: 12.241413381998687
  • Atomic Density: 0.07135968357921053
  • Unit Cell Volume: 266.256786003117
  • Molar Volume: 8.439136019031412
  • Full Formula: Hf4 Ru12 C3
  • Reduced Formula: Hf4(Ru4C)3
  • Formula Anonymous: A3B4C12
  • Spacegroup Number: 123
  • Spacegroup Symbol: P4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -185.5215916
  • Final energy per atom: -9.764294294736843
  • 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.