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  1. Third-Parties
  2. MatprojStructure
  3. mp-1516633

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-1516633
  • 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: 20
  • Number of elements: 5
  • Element list: ['Na', 'Ca', 'Ce', 'Bi', 'O']
  • Chemical System: Bi-Ca-Ce-Na-O
  • Density: 5.617244848003391
  • Atomic Density: 0.06656919331163616
  • Unit Cell Volume: 300.4392723578947
  • Molar Volume: 9.046437939856094
  • Full Formula: Na2 Ca2 Ce2 Bi2 O12
  • Reduced Formula: NaCaCeBiO6
  • Formula Anonymous: ABCDE6
  • Spacegroup Number: 118
  • Spacegroup Symbol: P-4n2
  • Crystal System: tetragonal
  • Pointgroup: -4m2

Thermodynamics:

  • Final energy: -136.49379485
  • Final energy per atom: -6.8246897425
  • 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.