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  1. Third-Parties
  2. MatprojStructure
  3. mp-1227577

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-1227577
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 16
  • Number of elements: 4
  • Element list: ['Ce', 'Ni', 'Bi', 'Sb']
  • Chemical System: Bi-Ce-Ni-Sb
  • Density: 8.696626532753006
  • Atomic Density: 0.04125877365966644
  • Unit Cell Volume: 387.7963056289578
  • Molar Volume: 14.596024616909776
  • Full Formula: Ce4 Ni4 Bi3 Sb5
  • Reduced Formula: Ce4Ni4Bi3Sb5
  • Formula Anonymous: A3B4C4D5
  • Spacegroup Number: 115
  • Spacegroup Symbol: P-4m2
  • Crystal System: tetragonal
  • Pointgroup: -4m2

Thermodynamics:

  • Final energy: -90.76896184
  • Final energy per atom: -5.673060115
  • 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.