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  1. Third-Parties
  2. MatprojStructure
  3. mp-672696

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-672696
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 36
  • Number of elements: 3
  • Element list: ['Hf', 'Nb', 'Ge']
  • Chemical System: Ge-Hf-Nb
  • Density: 9.737687035503784
  • Atomic Density: 0.056979248617624025
  • Unit Cell Volume: 631.8089633225698
  • Molar Volume: 10.569006973772757
  • Full Formula: Hf8 Nb12 Ge16
  • Reduced Formula: Hf2Nb3Ge4
  • Formula Anonymous: A2B3C4
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -297.58204687
  • Final energy per atom: -8.26616796861111
  • 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.