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  1. Third-Parties
  2. MatprojStructure
  3. mp-34932

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-34932
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 3
  • Number of elements: 3
  • Element list: ['Ca', 'H', 'N']
  • Chemical System: Ca-H-N
  • Density: 2.555174732703944
  • Atomic Density: 0.08379134805696092
  • Unit Cell Volume: 35.80321918153907
  • Molar Volume: 7.187067519078676
  • Full Formula: Ca1 H1 N1
  • Reduced Formula: CaHN
  • Formula Anonymous: ABC
  • Spacegroup Number: 107
  • Spacegroup Symbol: I4mm
  • Crystal System: tetragonal
  • Pointgroup: 4mm

Thermodynamics:

  • Final energy: -16.30227084
  • Final energy per atom: -5.4340902799999995
  • 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.