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  1. Third-Parties
  2. MatprojStructure
  3. mp-10488

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-10488
  • 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: 18
  • Number of elements: 4
  • Element list: ['Cs', 'Ti', 'Ag', 'S']
  • Chemical System: Ag-Cs-S-Ti
  • Density: 4.178013146940504
  • Atomic Density: 0.03443121438406899
  • Unit Cell Volume: 522.7814447441749
  • Molar Volume: 17.490352483142132
  • Full Formula: Cs4 Ti2 Ag4 S8
  • Reduced Formula: Cs2Ti(AgS2)2
  • Formula Anonymous: AB2C2D4
  • Spacegroup Number: 132
  • Spacegroup Symbol: P4_2/mcm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -85.91992369
  • Final energy per atom: -4.773329093888889
  • 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.