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  1. Third-Parties
  2. MatprojStructure
  3. mp-1209358

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-1209358
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 34
  • Number of elements: 4
  • Element list: ['Rb', 'Ta', 'As', 'S']
  • Chemical System: As-Rb-S-Ta
  • Density: 3.6547831776456174
  • Atomic Density: 0.03577308789608234
  • Unit Cell Volume: 950.4351455140522
  • Molar Volume: 16.83427714569619
  • Full Formula: Rb6 Ta4 As2 S22
  • Reduced Formula: Rb3Ta2AsS11
  • Formula Anonymous: AB2C3D11
  • Spacegroup Number: 9
  • Spacegroup Symbol: C1c1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -193.28940461
  • Final energy per atom: -5.684982488529411
  • 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.