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  1. Third-Parties
  2. MatprojStructure
  3. mp-1045910

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-1045910
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 40
  • Number of elements: 5
  • Element list: ['Ba', 'Mg', 'Mn', 'Cu', 'F']
  • Chemical System: Ba-Cu-F-Mg-Mn
  • Density: 4.448066229526697
  • Atomic Density: 0.07255790360636825
  • Unit Cell Volume: 551.2838438249653
  • Molar Volume: 8.299772265569494
  • Full Formula: Ba4 Mg2 Mn4 Cu2 F28
  • Reduced Formula: Ba2MgMn2CuF14
  • Formula Anonymous: ABC2D2E14
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -237.53245128
  • Final energy per atom: -5.938311282
  • 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.