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  1. Third-Parties
  2. MatprojStructure
  3. mp-1202391

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-1202391
  • 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: 36
  • Number of elements: 6
  • Element list: ['K', 'P', 'H', 'C', 'N', 'O']
  • Chemical System: C-H-K-N-O-P
  • Density: 1.8960066721976832
  • Atomic Density: 0.09334993053759624
  • Unit Cell Volume: 385.64570742236566
  • Molar Volume: 6.451146482186841
  • Full Formula: K2 P2 H12 C4 N8 O8
  • Reduced Formula: KPH6C2(NO)4
  • Formula Anonymous: ABC2D4E4F6
  • Spacegroup Number: 43
  • Spacegroup Symbol: Fdd2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -237.87957082000003
  • Final energy per atom: -6.6077658561111114
  • 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.