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  1. Third-Parties
  2. MatprojStructure
  3. mp-722455

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-722455
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 24
  • Number of elements: 4
  • Element list: ['Rb', 'Li', 'H', 'N']
  • Chemical System: H-Li-N-Rb
  • Density: 1.8998606022518014
  • Atomic Density: 0.0931332429649218
  • Unit Cell Volume: 257.69531088957666
  • Molar Volume: 6.466155980704132
  • Full Formula: Rb2 Li4 H12 N6
  • Reduced Formula: RbLi2(H2N)3
  • Formula Anonymous: AB2C3D6
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -113.18836509
  • Final energy per atom: -4.7161818787500005
  • 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.