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  1. Third-Parties
  2. MatprojStructure
  3. mp-1227238

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-1227238
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:39 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 5
  • Number of elements: 4
  • Element list: ['Ca', 'Bi', 'I', 'O']
  • Chemical System: Bi-Ca-I-O
  • Density: 6.122036427857116
  • Atomic Density: 0.0451853296893601
  • Unit Cell Volume: 110.65538382421856
  • Molar Volume: 13.327645944825425
  • Full Formula: Ca1 Bi1 I1 O2
  • Reduced Formula: CaBiIO2
  • Formula Anonymous: ABCD2
  • Spacegroup Number: 107
  • Spacegroup Symbol: I4mm
  • Crystal System: tetragonal
  • Pointgroup: 4mm

Thermodynamics:

  • Final energy: -28.16015521
  • Final energy per atom: -5.6320310419999995
  • 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.