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  1. Third-Parties
  2. MatprojStructure
  3. mp-1202540

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-1202540
  • 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: 72
  • Number of elements: 4
  • Element list: ['Bi', 'Br', 'N', 'F']
  • Chemical System: Bi-Br-F-N
  • Density: 2.9522010655138313
  • Atomic Density: 0.03447158411289073
  • Unit Cell Volume: 2088.676858139381
  • Molar Volume: 17.46986950259709
  • Full Formula: Bi4 Br28 N24 F16
  • Reduced Formula: BiBr7(N3F2)2
  • Formula Anonymous: AB4C6D7
  • Spacegroup Number: 205
  • Spacegroup Symbol: Pa-3
  • Crystal System: cubic
  • Pointgroup: m-3

Thermodynamics:

  • Final energy: -229.90122515
  • Final energy per atom: -3.1930725715277775
  • 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.