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  1. Third-Parties
  2. MatprojStructure
  3. mp-675153

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-675153
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 50
  • Number of elements: 3
  • Element list: ['Ca', 'H', 'N']
  • Chemical System: Ca-H-N
  • Density: 2.253132286442386
  • Atomic Density: 0.044970529553907464
  • Unit Cell Volume: 1111.8392533061806
  • Molar Volume: 13.39130497180623
  • Full Formula: Ca32 H2 N16
  • Reduced Formula: Ca16HN8
  • Formula Anonymous: AB8C16
  • Spacegroup Number: 31
  • Spacegroup Symbol: Pmn2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -247.03653615
  • Final energy per atom: -4.940730723
  • 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.