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  1. Third-Parties
  2. MatprojStructure
  3. mp-1205241

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-1205241
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 54
  • Number of elements: 4
  • Element list: ['Ba', 'In', 'Cu', 'N']
  • Chemical System: Ba-Cu-In-N
  • Density: 5.220709384127689
  • Atomic Density: 0.03256154498036564
  • Unit Cell Volume: 1658.397967067029
  • Molar Volume: 18.494640729213877
  • Full Formula: Ba28 In8 Cu4 N14
  • Reduced Formula: Ba14In4Cu2N7
  • Formula Anonymous: A2B4C7D14
  • Spacegroup Number: 10
  • Spacegroup Symbol: P12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -233.32029127
  • Final energy per atom: -4.32074613462963
  • 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.