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  1. Third-Parties
  2. MatprojStructure
  3. mp-1179390

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-1179390
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 45
  • Number of elements: 3
  • Element list: ['Rb', 'Th', 'F']
  • Chemical System: F-Rb-Th
  • Density: 5.457269387652873
  • Atomic Density: 0.0569146583281682
  • Unit Cell Volume: 790.6574742227452
  • Molar Volume: 10.581001339367651
  • Full Formula: Rb7 Th6 F32
  • Reduced Formula: Rb7Th6F32
  • Formula Anonymous: A6B7C32
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -292.43482645
  • Final energy per atom: -6.498551698888889
  • 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.