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  1. Third-Parties
  2. MatprojStructure
  3. mp-781108

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-781108
  • 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: 54
  • Number of elements: 5
  • Element list: ['Na', 'Mn', 'As', 'C', 'O']
  • Chemical System: As-C-Mn-Na-O
  • Density: 2.71232599634993
  • Atomic Density: 0.07593420451786172
  • Unit Cell Volume: 711.1419727495503
  • Molar Volume: 7.930735296744215
  • Full Formula: Na8 Mn4 As2 C8 O32
  • Reduced Formula: Na4Mn2As(CO4)4
  • Formula Anonymous: AB2C4D4E16
  • Spacegroup Number: 70
  • Spacegroup Symbol: Fddd1
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -388.47932232
  • Final energy per atom: -7.194061524444444
  • 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.