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  1. Third-Parties
  2. MatprojStructure
  3. mp-580962

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-580962
  • 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: 16
  • Number of elements: 4
  • Element list: ['Rb', 'C', 'I', 'N']
  • Chemical System: C-I-N-Rb
  • Density: 3.1489168233541887
  • Atomic Density: 0.029274619066013443
  • Unit Cell Volume: 546.5485294247707
  • Molar Volume: 20.57120110229357
  • Full Formula: Rb2 C4 I6 N4
  • Reduced Formula: RbC2I3N2
  • Formula Anonymous: AB2C2D3
  • Spacegroup Number: 59
  • Spacegroup Symbol: Pmmn1
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -84.77746455
  • Final energy per atom: -5.298591534375
  • 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.