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  1. Third-Parties
  2. MatprojStructure
  3. mp-1208994

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-1208994
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 12
  • Number of elements: 4
  • Element list: ['Sc', 'Tl', 'S', 'O']
  • Chemical System: O-S-Sc-Tl
  • Density: 3.7906915267709094
  • Atomic Density: 0.06205187282867808
  • Unit Cell Volume: 193.3865885584366
  • Molar Volume: 9.70501047829259
  • Full Formula: Sc1 Tl1 S2 O8
  • Reduced Formula: ScTl(SO4)2
  • Formula Anonymous: ABC2D8
  • Spacegroup Number: 150
  • Spacegroup Symbol: P321
  • Crystal System: trigonal
  • Pointgroup: 321

Thermodynamics:

  • Final energy: -84.27916907999999
  • Final energy per atom: -7.023264089999999
  • 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.