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  1. Third-Parties
  2. MatprojStructure
  3. mp-1198023

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-1198023
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 124
  • Number of elements: 5
  • Element list: ['Mn', 'H', 'C', 'N', 'O']
  • Chemical System: C-H-Mn-N-O
  • Density: 1.4210509831758005
  • Atomic Density: 0.0917502301570288
  • Unit Cell Volume: 1351.495247344626
  • Molar Volume: 6.563624690306737
  • Full Formula: Mn4 H56 C32 N8 O24
  • Reduced Formula: MnH14C8(NO3)2
  • Formula Anonymous: AB2C6D8E14
  • Spacegroup Number: 60
  • Spacegroup Symbol: Pbcn
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -794.0150968
  • Final energy per atom: -6.40334755483871
  • 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.