Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1360824

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-1360824
  • 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: 66
  • Number of elements: 5
  • Element list: ['Mg', 'Cu', 'P', 'H', 'O']
  • Chemical System: Cu-H-Mg-O-P
  • Density: 2.7268684799423286
  • Atomic Density: 0.11065401545657286
  • Unit Cell Volume: 596.4537276634329
  • Molar Volume: 5.442315613357422
  • Full Formula: Mg4 Cu4 P4 H24 O30
  • Reduced Formula: Mg2Cu2P2(H4O5)3
  • Formula Anonymous: A2B2C2D12E15
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -391.65983594
  • Final energy per atom: -5.934239938484849
  • 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.