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  1. Third-Parties
  2. MatprojStructure
  3. mp-23068

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-23068
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 6
  • Number of elements: 3
  • Element list: ['Nd', 'Br', 'O']
  • Chemical System: Br-Nd-O
  • Density: 5.809502916892916
  • Atomic Density: 0.04370557710859756
  • Unit Cell Volume: 137.28225084619024
  • Molar Volume: 13.778883974089778
  • Full Formula: Nd2 Br2 O2
  • Reduced Formula: NdBrO
  • Formula Anonymous: ABC
  • Spacegroup Number: 129
  • Spacegroup Symbol: P4/nmm1
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -42.40890248
  • Final energy per atom: -7.068150413333334
  • 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.