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  1. Third-Parties
  2. MatprojStructure
  3. mp-1201202

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-1201202
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 160
  • Number of elements: 2
  • Element list: ['Cd', 'As']
  • Chemical System: As-Cd
  • Density: 5.9224616118928255
  • Atomic Density: 0.03661223591384722
  • Unit Cell Volume: 4370.1237033569405
  • Molar Volume: 16.44843755014249
  • Full Formula: Cd96 As64
  • Reduced Formula: Cd3As2
  • Formula Anonymous: A2B3
  • Spacegroup Number: 133
  • Spacegroup Symbol: P4_2/nbc
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -398.33671321
  • Final energy per atom: -2.4896044575625003
  • 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.