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  1. Third-Parties
  2. MatprojStructure
  3. mp-863022

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-863022
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 16
  • Number of elements: 4
  • Element list: ['Rb', 'Ta', 'Ge', 'S']
  • Chemical System: Ge-Rb-S-Ta
  • Density: 3.9487655830004624
  • Atomic Density: 0.038095221749131526
  • Unit Cell Volume: 420.0001802159022
  • Molar Volume: 15.808126278034566
  • Full Formula: Rb2 Ta2 Ge2 S10
  • Reduced Formula: RbTaGeS5
  • Formula Anonymous: ABCD5
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -94.79044442
  • Final energy per atom: -5.92440277625
  • 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.