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  1. Third-Parties
  2. MatprojStructure
  3. mp-640889

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-640889
  • 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: 28
  • Number of elements: 3
  • Element list: ['Tm', 'Cu', 'Te']
  • Chemical System: Cu-Te-Tm
  • Density: 7.384697720589387
  • Atomic Density: 0.04193338865845508
  • Unit Cell Volume: 667.725669109604
  • Molar Volume: 14.361207030154356
  • Full Formula: Tm4 Cu12 Te12
  • Reduced Formula: Tm(CuTe)3
  • Formula Anonymous: AB3C3
  • Spacegroup Number: 31
  • Spacegroup Symbol: Pmn2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -124.5096854
  • Final energy per atom: -4.446774478571428
  • 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.