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  1. Third-Parties
  2. MatprojStructure
  3. mp-1194527

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-1194527
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 48
  • Number of elements: 4
  • Element list: ['Y', 'Tl', 'P', 'S']
  • Chemical System: P-S-Tl-Y
  • Density: 4.108003526392543
  • Atomic Density: 0.03786215804468954
  • Unit Cell Volume: 1267.7565801543733
  • Molar Volume: 15.905434531470537
  • Full Formula: Y4 Tl8 P8 S28
  • Reduced Formula: YTl2P2S7
  • Formula Anonymous: AB2C2D7
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -253.94754216
  • Final energy per atom: -5.290573795
  • 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.