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  1. Third-Parties
  2. MatprojStructure
  3. mp-1192137

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-1192137
  • 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: 22
  • Number of elements: 4
  • Element list: ['Er', 'Tl', 'Cu', 'S']
  • Chemical System: Cu-Er-S-Tl
  • Density: 6.708263223152691
  • Atomic Density: 0.04993785674828091
  • Unit Cell Volume: 440.5475411348594
  • Molar Volume: 12.059269564481879
  • Full Formula: Er4 Tl2 Cu6 S10
  • Reduced Formula: Er2TlCu3S5
  • Formula Anonymous: AB2C3D5
  • Spacegroup Number: 63
  • Spacegroup Symbol: Cmcm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -118.09504834999998
  • Final energy per atom: -5.367956743181818
  • 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.