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  1. Third-Parties
  2. MatprojStructure
  3. mp-557793

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-557793
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 116
  • Number of elements: 5
  • Element list: ['Rb', 'Li', 'Zr', 'H', 'F']
  • Chemical System: F-H-Li-Rb-Zr
  • Density: 3.5120928698291793
  • Atomic Density: 0.06224028865856887
  • Unit Cell Volume: 1863.7445696362433
  • Molar Volume: 9.675631154340586
  • Full Formula: Rb16 Li4 Zr12 H8 F76
  • Reduced Formula: Rb4LiZr3H2F19
  • Formula Anonymous: AB2C3D4E19
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -700.31432461
  • Final energy per atom: -6.037192453534482
  • 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.