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  1. Third-Parties
  2. MatprojStructure
  3. mp-1197760

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-1197760
  • 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: 32
  • Number of elements: 3
  • Element list: ['P', 'H', 'N']
  • Chemical System: H-N-P
  • Density: 2.556246530740527
  • Atomic Density: 0.10263555468712085
  • Unit Cell Volume: 311.782793960147
  • Molar Volume: 5.8674995992940095
  • Full Formula: P8 H8 N16
  • Reduced Formula: PHN2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 13
  • Spacegroup Symbol: P12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -221.09135744
  • Final energy per atom: -6.90910492
  • 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.