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  1. Third-Parties
  2. MatprojStructure
  3. mp-24409

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-24409
  • 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: 12
  • Number of elements: 3
  • Element list: ['P', 'H', 'I']
  • Chemical System: H-I-P
  • Density: 2.7952309540670033
  • Atomic Density: 0.062380118953688085
  • Unit Cell Volume: 192.36898231805193
  • Molar Volume: 9.653942411477166
  • Full Formula: P2 H8 I2
  • Reduced Formula: PH4I
  • Formula Anonymous: ABC4
  • Spacegroup Number: 129
  • Spacegroup Symbol: P4/nmm1
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -44.2422363
  • Final energy per atom: -3.686853025
  • 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.