Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-504975

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-504975
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 41
  • Number of elements: 5
  • Element list: ['Mn', 'Al', 'P', 'H', 'O']
  • Chemical System: Al-H-Mn-O-P
  • Density: 2.2671392495881624
  • Atomic Density: 0.11735783471484855
  • Unit Cell Volume: 349.3588655552498
  • Molar Volume: 5.131434790555195
  • Full Formula: Mn1 Al2 P2 H18 O18
  • Reduced Formula: MnAl2P2(HO)18
  • Formula Anonymous: AB2C2D18E18
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -253.07094607
  • Final energy per atom: -6.172462099268293
  • 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.