Download Simmate

You can install Simmate to host your own server and access advanced features

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1202565

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-1202565
  • 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: 132
  • Number of elements: 6
  • Element list: ['Ga', 'P', 'H', 'C', 'N', 'O']
  • Chemical System: C-Ga-H-N-O-P
  • Density: 1.8475649460180346
  • Atomic Density: 0.10118948027273111
  • Unit Cell Volume: 1304.4834269750845
  • Molar Volume: 5.951350618432681
  • Full Formula: Ga4 P8 H60 C20 N8 O32
  • Reduced Formula: GaP2H15C5(NO4)2
  • Formula Anonymous: AB2C2D5E8F15
  • Spacegroup Number: 58
  • Spacegroup Symbol: Pnnm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -806.80793504
  • Final energy per atom: -6.112181326060606
  • 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.