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  1. Third-Parties
  2. MatprojStructure
  3. mp-1233542

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-1233542
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 25
  • Number of elements: 5
  • Element list: ['Ba', 'Mg', 'Nb', 'N', 'O']
  • Chemical System: Ba-Mg-N-Nb-O
  • Density: 4.8522727684327185
  • Atomic Density: 0.0659080871511625
  • Unit Cell Volume: 379.31612159614986
  • Molar Volume: 9.137180307157161
  • Full Formula: Ba2 Mg1 Nb6 N2 O14
  • Reduced Formula: Ba2MgNb6(NO7)2
  • Formula Anonymous: AB2C2D6E14
  • Spacegroup Number: 8
  • Spacegroup Symbol: C1m1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -221.21728705
  • Final energy per atom: -8.848691482
  • 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.