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  1. Third-Parties
  2. MatprojStructure
  3. mp-1079388

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-1079388
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 10
  • Number of elements: 3
  • Element list: ['Nd', 'B', 'Ru']
  • Chemical System: B-Nd-Ru
  • Density: 8.138601278425996
  • Atomic Density: 0.0665913991493771
  • Unit Cell Volume: 150.16954333048488
  • Molar Volume: 9.043421278010992
  • Full Formula: Nd2 B4 Ru4
  • Reduced Formula: Nd(BRu)2
  • Formula Anonymous: AB2C2
  • Spacegroup Number: 70
  • Spacegroup Symbol: Fddd1
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -78.44419162
  • Final energy per atom: -7.8444191619999994
  • 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.