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  1. Third-Parties
  2. MatprojStructure
  3. mp-728793

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-728793
  • 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: 166
  • Number of elements: 5
  • Element list: ['Mn', 'H', 'C', 'N', 'O']
  • Chemical System: C-H-Mn-N-O
  • Density: 1.7223871578635055
  • Atomic Density: 0.10329828761675613
  • Unit Cell Volume: 1606.9966291781293
  • Molar Volume: 5.8298553625037455
  • Full Formula: Mn2 H60 C16 N52 O36
  • Reduced Formula: MnH30C8(N13O9)2
  • Formula Anonymous: AB8C18D26E30
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -1061.05656217
  • Final energy per atom: -6.391907001024096
  • 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.