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  1. Third-Parties
  2. MatprojStructure
  3. mp-643158

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-643158
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 28
  • Number of elements: 4
  • Element list: ['P', 'H', 'I', 'N']
  • Chemical System: H-I-N-P
  • Density: 1.9523787302387396
  • Atomic Density: 0.07415689835264258
  • Unit Cell Volume: 377.57781975791363
  • Molar Volume: 8.120809922985947
  • Full Formula: P2 H16 I2 N8
  • Reduced Formula: PH8IN4
  • Formula Anonymous: ABC4D8
  • Spacegroup Number: 125
  • Spacegroup Symbol: P4/nbm1
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -149.95096023
  • Final energy per atom: -5.355391436785714
  • 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.