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  1. Third-Parties
  2. MatprojStructure
  3. mp-677195

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-677195
  • 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: 94
  • Number of elements: 5
  • Element list: ['Nd', 'Si', 'Br', 'N', 'O']
  • Chemical System: Br-N-Nd-O-Si
  • Density: 5.242249241507317
  • Atomic Density: 0.06789813484892461
  • Unit Cell Volume: 1384.4268360118112
  • Molar Volume: 8.869375828068685
  • Full Formula: Nd20 Si20 Br2 N34 O18
  • Reduced Formula: Nd10Si10BrN17O9
  • Formula Anonymous: AB9C10D10E17
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -789.7785343599999
  • Final energy per atom: -8.401899301702127
  • 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.