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  1. Third-Parties
  2. MatprojStructure
  3. mp-1190818

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-1190818
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 24
  • Number of elements: 3
  • Element list: ['Nd', 'Cr', 'B']
  • Chemical System: B-Cr-Nd
  • Density: 6.360739629497249
  • Atomic Density: 0.09597026934317054
  • Unit Cell Volume: 250.07744757056778
  • Molar Volume: 6.2750066257144965
  • Full Formula: Nd4 Cr4 B16
  • Reduced Formula: NdCrB4
  • Formula Anonymous: ABC4
  • Spacegroup Number: 55
  • Spacegroup Symbol: Pbam
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -177.10976777
  • Final energy per atom: -7.379573657083333
  • 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.