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  1. Third-Parties
  2. MatprojStructure
  3. mp-568423

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-568423
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 40
  • Number of elements: 3
  • Element list: ['Al', 'P', 'I']
  • Chemical System: Al-I-P
  • Density: 3.4400323614548776
  • Atomic Density: 0.019303514413559774
  • Unit Cell Volume: 2072.161531990359
  • Molar Volume: 31.19712105775796
  • Full Formula: Al4 P4 I32
  • Reduced Formula: AlPI8
  • Formula Anonymous: ABC8
  • Spacegroup Number: 33
  • Spacegroup Symbol: Pna2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -111.16464937
  • Final energy per atom: -2.77911623425
  • 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.