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  1. Third-Parties
  2. MatprojStructure
  3. mp-1078578

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-1078578
  • 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: 8
  • Number of elements: 3
  • Element list: ['Na', 'Cd', 'As']
  • Chemical System: As-Cd-Na
  • Density: 5.687482391453968
  • Atomic Density: 0.03928980763875601
  • Unit Cell Volume: 203.61514806981873
  • Molar Volume: 15.327488531808635
  • Full Formula: Na1 Cd4 As3
  • Reduced Formula: NaCd4As3
  • Formula Anonymous: AB3C4
  • Spacegroup Number: 166
  • Spacegroup Symbol: R-3mH
  • Crystal System: trigonal
  • Pointgroup: -3m

Thermodynamics:

  • Final energy: -20.40729856
  • Final energy per atom: -2.55091232
  • 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.