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  1. Third-Parties
  2. MatprojStructure
  3. mp-680294

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-680294
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 160
  • Number of elements: 2
  • Element list: ['Tl', 'Cl']
  • Chemical System: Cl-Tl
  • Density: 5.444581148164382
  • Atomic Density: 0.03182528112058415
  • Unit Cell Volume: 5027.449699305695
  • Molar Volume: 18.922506095649105
  • Full Formula: Tl64 Cl96
  • Reduced Formula: Tl2Cl3
  • Formula Anonymous: A2B3
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -532.4622931499999
  • Final energy per atom: -3.3278893321874996
  • 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.