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  1. Third-Parties
  2. MatprojStructure
  3. mp-685283

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-685283
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 92
  • Number of elements: 3
  • Element list: ['Ag', 'Bi', 'I']
  • Chemical System: Ag-Bi-I
  • Density: 4.965679953584602
  • Atomic Density: 0.0217331269716667
  • Unit Cell Volume: 4233.169029009937
  • Molar Volume: 27.709499732141698
  • Full Formula: Ag13 Bi15 I64
  • Reduced Formula: Ag13Bi15I64
  • Formula Anonymous: A13B15C64
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -243.30382136
  • Final energy per atom: -2.6446067539130436
  • 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.