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  1. Third-Parties
  2. MatprojStructure
  3. mp-24370

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-24370
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:39 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 48
  • Number of elements: 4
  • Element list: ['H', 'N', 'Cl', 'O']
  • Chemical System: Cl-H-N-O
  • Density: 1.860170809500809
  • Atomic Density: 0.10145114851580682
  • Unit Cell Volume: 473.13412122210974
  • Molar Volume: 5.936000575746767
  • Full Formula: H20 N8 Cl4 O16
  • Reduced Formula: H5N2ClO4
  • Formula Anonymous: AB2C4D5
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -244.98127571
  • Final energy per atom: -5.103776577291667
  • 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.