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  1. Third-Parties
  2. MatprojStructure
  3. mp-866684

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-866684
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 34
  • Number of elements: 3
  • Element list: ['Rb', 'Th', 'F']
  • Chemical System: F-Rb-Th
  • Density: 6.708158780010823
  • Atomic Density: 0.06676871389348756
  • Unit Cell Volume: 509.2205318532618
  • Molar Volume: 9.01940506088943
  • Full Formula: Rb2 Th6 F26
  • Reduced Formula: RbTh3F13
  • Formula Anonymous: AB3C13
  • Spacegroup Number: 26
  • Spacegroup Symbol: Pmc2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -241.15185186
  • Final energy per atom: -7.0927015252941175
  • 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.