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  1. Third-Parties
  2. MatprojStructure
  3. mp-640041

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-640041
  • 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: 34
  • Number of elements: 2
  • Element list: ['Nb', 'Zn']
  • Chemical System: Nb-Zn
  • Density: 7.295698762494358
  • Atomic Density: 0.06554978931098301
  • Unit Cell Volume: 518.6896915670669
  • Molar Volume: 9.187124509934888
  • Full Formula: Nb2 Zn32
  • Reduced Formula: NbZn16
  • Formula Anonymous: AB16
  • Spacegroup Number: 63
  • Spacegroup Symbol: Cmcm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -62.08788102
  • Final energy per atom: -1.8261141476470588
  • 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.