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  1. Third-Parties
  2. MatprojStructure
  3. mp-1197795

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-1197795
  • 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: 168
  • Number of elements: 4
  • Element list: ['Rb', 'B', 'H', 'N']
  • Chemical System: B-H-N-Rb
  • Density: 1.3103174239494688
  • Atomic Density: 0.08854883934847065
  • Unit Cell Volume: 1897.2580695141723
  • Molar Volume: 6.800925686107268
  • Full Formula: Rb8 B40 H100 N20
  • Reduced Formula: Rb2B10(H5N)5
  • Formula Anonymous: A2B5C10D25
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -841.2801189400001
  • Final energy per atom: -5.007619755595239
  • 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.