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  1. Third-Parties
  2. MatprojStructure
  3. mp-680580

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-680580
  • 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: 160
  • Number of elements: 2
  • Element list: ['Zn', 'As']
  • Chemical System: As-Zn
  • Density: 5.42354724097907
  • Atomic Density: 0.04718893004218893
  • Unit Cell Volume: 3390.625722112223
  • Molar Volume: 12.761765851897783
  • Full Formula: Zn96 As64
  • Reduced Formula: Zn3As2
  • Formula Anonymous: A2B3
  • Spacegroup Number: 133
  • Spacegroup Symbol: P4_2/nbc
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -442.80280801
  • Final energy per atom: -2.7675175500624998
  • 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.