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  1. Third-Parties
  2. MatprojStructure
  3. mp-1238891

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-1238891
  • 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: 28
  • Number of elements: 3
  • Element list: ['Rb', 'Cr', 'S']
  • Chemical System: Cr-Rb-S
  • Density: 2.9803354370828443
  • Atomic Density: 0.03954299277424153
  • Unit Cell Volume: 708.0900568112618
  • Molar Volume: 15.229349974549342
  • Full Formula: Rb4 Cr8 S16
  • Reduced Formula: Rb(CrS2)2
  • Formula Anonymous: AB2C4
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -170.37831423
  • Final energy per atom: -6.084939793928571
  • 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.