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  1. Third-Parties
  2. MatprojStructure
  3. mp-1096463

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-1096463
  • 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: 4
  • Number of elements: 3
  • Element list: ['Sc', 'Cd', 'Au']
  • Chemical System: Au-Cd-Sc
  • Density: 0.5717259716981173
  • Atomic Density: 0.003449141739563987
  • Unit Cell Volume: 1159.7087919343228
  • Molar Volume: 174.5982396409511
  • Full Formula: Sc2 Cd1 Au1
  • Reduced Formula: Sc2CdAu
  • Formula Anonymous: ABC2
  • Spacegroup Number: 71
  • Spacegroup Symbol: Immm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -9.87121873
  • Final energy per atom: -2.4678046825
  • 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.