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  1. Third-Parties
  2. MatprojStructure
  3. mp-972954

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-972954
  • 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: 6
  • Number of elements: 2
  • Element list: ['Mg', 'Cd']
  • Chemical System: Cd-Mg
  • Density: 6.243693073531469
  • Atomic Density: 0.04527859111702557
  • Unit Cell Volume: 132.5129570505539
  • Molar Volume: 13.300194664704497
  • Full Formula: Mg2 Cd4
  • Reduced Formula: MgCd2
  • Formula Anonymous: AB2
  • Spacegroup Number: 189
  • Spacegroup Symbol: P-62m
  • Crystal System: hexagonal
  • Pointgroup: -62m

Thermodynamics:

  • Final energy: -7.16377651
  • Final energy per atom: -1.1939627516666667
  • 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.