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  1. Third-Parties
  2. MatprojStructure
  3. mp-698222

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-698222
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 62
  • Number of elements: 5
  • Element list: ['Cr', 'P', 'H', 'N', 'O']
  • Chemical System: Cr-H-N-O-P
  • Density: 1.8716685329930576
  • Atomic Density: 0.10490752445273384
  • Unit Cell Volume: 590.996692786647
  • Molar Volume: 5.740427859122041
  • Full Formula: Cr2 P4 H30 N4 O22
  • Reduced Formula: CrP2H15N2O11
  • Formula Anonymous: AB2C2D11E15
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -377.96388021
  • Final energy per atom: -6.096191616290323
  • 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.