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  1. Third-Parties
  2. MatprojStructure
  3. mp-1228095

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-1228095
  • 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: 13
  • Number of elements: 4
  • Element list: ['Ba', 'Mo', 'N', 'O']
  • Chemical System: Ba-Mo-N-O
  • Density: 5.208499046766436
  • Atomic Density: 0.05602121797499045
  • Unit Cell Volume: 232.0549332898044
  • Molar Volume: 10.749749787104708
  • Full Formula: Ba3 Mo2 N2 O6
  • Reduced Formula: Ba3Mo2(NO3)2
  • Formula Anonymous: A2B2C3D6
  • Spacegroup Number: 166
  • Spacegroup Symbol: R-3mH
  • Crystal System: trigonal
  • Pointgroup: -3m

Thermodynamics:

  • Final energy: -101.94065042
  • Final energy per atom: -7.841588493846154
  • 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.