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  1. Third-Parties
  2. MatprojStructure
  3. mp-7129

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-7129
  • Created at: Sept. 4, 2022, 2:42 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: ['Rb', 'Ti', 'Cu', 'S']
  • Chemical System: Cu-Rb-S-Ti
  • Density: 3.7092469781623003
  • Atomic Density: 0.04239934966661861
  • Unit Cell Volume: 424.53481342360215
  • Molar Volume: 14.203380021984831
  • Full Formula: Rb4 Ti2 Cu4 S8
  • Reduced Formula: Rb2Ti(CuS2)2
  • Formula Anonymous: AB2C2D4
  • Spacegroup Number: 132
  • Spacegroup Symbol: P4_2/mcm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -92.18425815
  • Final energy per atom: -5.121347675
  • 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.