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  1. Third-Parties
  2. MatprojStructure
  3. mp-1227260

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-1227260
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 8
  • Number of elements: 4
  • Element list: ['Ca', 'Bi', 'N', 'O']
  • Chemical System: Bi-Ca-N-O
  • Density: 4.578315754579262
  • Atomic Density: 0.06429450977494737
  • Unit Cell Volume: 124.42742044387177
  • Molar Volume: 9.366493003958718
  • Full Formula: Ca1 Bi1 N1 O5
  • Reduced Formula: CaBiNO5
  • Formula Anonymous: ABCD5
  • Spacegroup Number: 44
  • Spacegroup Symbol: Imm2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -52.56713777
  • Final energy per atom: -6.57089222125
  • 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.