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  1. Third-Parties
  2. MatprojStructure
  3. mp-1104825

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-1104825
  • 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: 14
  • Number of elements: 3
  • Element list: ['Ca', 'Ni', 'Ge']
  • Chemical System: Ca-Ge-Ni
  • Density: 5.254695983321911
  • Atomic Density: 0.055168790727384794
  • Unit Cell Volume: 253.76666436610242
  • Molar Volume: 10.915846950059608
  • Full Formula: Ca4 Ni6 Ge4
  • Reduced Formula: Ca2Ni3Ge2
  • Formula Anonymous: A2B2C3
  • Spacegroup Number: 51
  • Spacegroup Symbol: Pmma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -68.23743998
  • Final energy per atom: -4.874102855714286
  • 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.