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  1. Third-Parties
  2. MatprojStructure
  3. mp-10350

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-10350
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 18
  • Number of elements: 5
  • Element list: ['Ba', 'Nd', 'Cu', 'B', 'O']
  • Chemical System: B-Ba-Cu-Nd-O
  • Density: 6.126591975839927
  • Atomic Density: 0.07617326762595752
  • Unit Cell Volume: 236.30337204893846
  • Molar Volume: 7.905845380785316
  • Full Formula: Ba2 Nd2 Cu2 B2 O10
  • Reduced Formula: BaNdCuBO5
  • Formula Anonymous: ABCDE5
  • Spacegroup Number: 100
  • Spacegroup Symbol: P4bm
  • Crystal System: tetragonal
  • Pointgroup: 4mm

Thermodynamics:

  • Final energy: -135.53287708
  • Final energy per atom: -7.529604282222222
  • 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.