Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1215156

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-1215156
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 150
  • Number of elements: 4
  • Element list: ['Al', 'P', 'H', 'O']
  • Chemical System: Al-H-O-P
  • Density: 1.3963126729681181
  • Atomic Density: 0.05637214686377662
  • Unit Cell Volume: 2660.8885477162194
  • Molar Volume: 10.682830254012698
  • Full Formula: Al18 P18 H42 O72
  • Reduced Formula: Al3P3H7O12
  • Formula Anonymous: A3B3C7D12
  • Spacegroup Number: 173
  • Spacegroup Symbol: P6_3
  • Crystal System: hexagonal
  • Pointgroup: 6

Thermodynamics:

  • Final energy: -926.93426763
  • Final energy per atom: -6.179561784200001
  • 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.