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  1. Third-Parties
  2. MatprojStructure
  3. mp-28639

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-28639
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 32
  • Number of elements: 3
  • Element list: ['Tl', 'Ge', 'Te']
  • Chemical System: Ge-Te-Tl
  • Density: 6.821306599349771
  • Atomic Density: 0.02935760323199611
  • Unit Cell Volume: 1090.007237550101
  • Molar Volume: 20.513053168579585
  • Full Formula: Tl8 Ge4 Te20
  • Reduced Formula: Tl2GeTe5
  • Formula Anonymous: AB2C5
  • Spacegroup Number: 127
  • Spacegroup Symbol: P4/mbm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -113.49489535
  • Final energy per atom: -3.5467154796875
  • 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.