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  1. Third-Parties
  2. MatprojStructure
  3. mp-4071

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-4071
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 11
  • Number of elements: 3
  • Element list: ['Er', 'Ni', 'B']
  • Chemical System: B-Er-Ni
  • Density: 8.361676661050904
  • Atomic Density: 0.09625396896252232
  • Unit Cell Volume: 114.281001797266
  • Molar Volume: 6.256511627426808
  • Full Formula: Er2 Ni3 B6
  • Reduced Formula: Er2(NiB2)3
  • Formula Anonymous: A2B3C6
  • Spacegroup Number: 65
  • Spacegroup Symbol: Cmmm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -73.0041768
  • Final energy per atom: -6.636743345454545
  • 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.