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  1. Third-Parties
  2. MatprojStructure
  3. mp-1200086

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-1200086
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 96
  • Number of elements: 4
  • Element list: ['Rb', 'P', 'H', 'N']
  • Chemical System: H-N-P-Rb
  • Density: 2.493326183837604
  • Atomic Density: 0.048913158981818486
  • Unit Cell Volume: 1962.662032024637
  • Molar Volume: 12.311903147041658
  • Full Formula: Rb24 P24 H40 N8
  • Reduced Formula: Rb3P3H5N
  • Formula Anonymous: AB3C3D5
  • Spacegroup Number: 61
  • Spacegroup Symbol: Pbca
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -397.88869759
  • Final energy per atom: -4.144673933229167
  • 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.