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  1. Third-Parties
  2. MatprojStructure
  3. mp-1201604

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-1201604
  • 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: 56
  • Number of elements: 3
  • Element list: ['Cd', 'B', 'O']
  • Chemical System: B-Cd-O
  • Density: 5.6258288570818955
  • Atomic Density: 0.07914970399053901
  • Unit Cell Volume: 707.520018100053
  • Molar Volume: 7.608544891993334
  • Full Formula: Cd16 B8 O32
  • Reduced Formula: Cd2BO4
  • Formula Anonymous: AB2C4
  • Spacegroup Number: 203
  • Spacegroup Symbol: Fd-31
  • Crystal System: cubic
  • Pointgroup: m-3

Thermodynamics:

  • Final energy: -323.54568539
  • Final energy per atom: -5.777601524821429
  • 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.