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  1. Third-Parties
  2. MatprojStructure
  3. mp-1220988

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-1220988
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 12
  • Number of elements: 3
  • Element list: ['Na', 'Tl', 'S']
  • Chemical System: Na-S-Tl
  • Density: 5.988160904759488
  • Atomic Density: 0.030897994978017786
  • Unit Cell Volume: 388.3747152052208
  • Molar Volume: 19.490393354922933
  • Full Formula: Na2 Tl6 S4
  • Reduced Formula: NaTl3S2
  • Formula Anonymous: AB2C3
  • Spacegroup Number: 26
  • Spacegroup Symbol: Pmc2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -41.23221088
  • Final energy per atom: -3.436017573333333
  • 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.