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  1. Third-Parties
  2. MatprojStructure
  3. mp-532270

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-532270
  • 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: 64
  • Number of elements: 3
  • Element list: ['Tl', 'Sb', 'Se']
  • Chemical System: Sb-Se-Tl
  • Density: 7.951136398899916
  • Atomic Density: 0.031463463459233745
  • Unit Cell Volume: 2034.1053705966876
  • Molar Volume: 19.140107597508155
  • Full Formula: Tl36 Sb4 Se24
  • Reduced Formula: Tl9SbSe6
  • Formula Anonymous: AB6C9
  • Spacegroup Number: 75
  • Spacegroup Symbol: P4
  • Crystal System: tetragonal
  • Pointgroup: 4

Thermodynamics:

  • Final energy: -218.6034116
  • Final energy per atom: -3.41567830625
  • 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.