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  1. Third-Parties
  2. MatprojStructure
  3. mp-1196770

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-1196770
  • 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: 94
  • Number of elements: 7
  • Element list: ['Rb', 'Na', 'Mn', 'H', 'C', 'N', 'O']
  • Chemical System: C-H-Mn-N-Na-O-Rb
  • Density: 1.9505953473964655
  • Atomic Density: 0.0627384323722165
  • Unit Cell Volume: 1498.2841688219735
  • Molar Volume: 9.59880655651652
  • Full Formula: Rb8 Na4 Mn4 H24 C20 N22 O12
  • Reduced Formula: Rb4Na2Mn2H12C10N11O6
  • Formula Anonymous: A2B2C4D6E10F11G12
  • Spacegroup Number: 64
  • Spacegroup Symbol: Cmce
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -609.85993991
  • Final energy per atom: -6.487871701170213
  • 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.