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  1. Third-Parties
  2. MatprojStructure
  3. mp-707924

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-707924
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 96
  • Number of elements: 5
  • Element list: ['In', 'P', 'H', 'N', 'O']
  • Chemical System: H-In-N-O-P
  • Density: 3.147204198025754
  • Atomic Density: 0.09327706659852963
  • Unit Cell Volume: 1029.1918850020236
  • Molar Volume: 6.456185833887415
  • Full Formula: In8 P8 H32 N8 O40
  • Reduced Formula: InPH4NO5
  • Formula Anonymous: ABCD4E5
  • Spacegroup Number: 96
  • Spacegroup Symbol: P4_32_12
  • Crystal System: tetragonal
  • Pointgroup: 422

Thermodynamics:

  • Final energy: -580.56089182
  • Final energy per atom: -6.047509289791667
  • 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.