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  1. Third-Parties
  2. MatprojStructure
  3. mp-1229295

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-1229295
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 182
  • Number of elements: 5
  • Element list: ['Be', 'P', 'H', 'N', 'O']
  • Chemical System: Be-H-N-O-P
  • Density: 2.022123192931162
  • Atomic Density: 0.11146279822400365
  • Unit Cell Volume: 1632.8317869271477
  • Molar Volume: 5.402825746306379
  • Full Formula: Be16 P16 H68 N16 O66
  • Reduced Formula: Be8P8H34N8O33
  • Formula Anonymous: A8B8C8D33E34
  • Spacegroup Number: 37
  • Spacegroup Symbol: Ccc2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -1164.32071942
  • Final energy per atom: -6.39736659021978
  • 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.