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  1. Third-Parties
  2. MatprojStructure
  3. mp-8677

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-8677
  • 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: 6
  • Number of elements: 3
  • Element list: ['Zr', 'Ti', 'Te']
  • Chemical System: Te-Ti-Zr
  • Density: 5.969755031620622
  • Atomic Density: 0.0332112732421802
  • Unit Cell Volume: 180.66154694664522
  • Molar Volume: 18.132821093867427
  • Full Formula: Zr1 Ti1 Te4
  • Reduced Formula: ZrTiTe4
  • Formula Anonymous: ABC4
  • Spacegroup Number: 10
  • Spacegroup Symbol: P12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -35.366954140000004
  • Final energy per atom: -5.894492356666667
  • 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.