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  1. Third-Parties
  2. MatprojStructure
  3. mp-22556

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-22556
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 5
  • Number of elements: 3
  • Element list: ['Tm', 'Tl', 'C']
  • Chemical System: C-Tl-Tm
  • Density: 7.091993122080632
  • Atomic Density: 0.029527917507636024
  • Unit Cell Volume: 169.33127772071913
  • Molar Volume: 20.39473579009645
  • Full Formula: Tm3 Tl1 C1
  • Reduced Formula: Tm3TlC
  • Formula Anonymous: ABC3
  • Spacegroup Number: 221
  • Spacegroup Symbol: Pm-3m
  • Crystal System: cubic
  • Pointgroup: m-3m

Thermodynamics:

  • Final energy: -16.8331227
  • Final energy per atom: -3.36662454
  • 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.