Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1193430

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-1193430
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 30
  • Number of elements: 5
  • Element list: ['K', 'Mn', 'P', 'H', 'O']
  • Chemical System: H-K-Mn-O-P
  • Density: 3.094303808943684
  • Atomic Density: 0.07853211357923152
  • Unit Cell Volume: 382.00932882995465
  • Molar Volume: 7.668379832823709
  • Full Formula: K2 Mn4 P4 H2 O18
  • Reduced Formula: KMn2P2HO9
  • Formula Anonymous: ABC2D2E9
  • Spacegroup Number: 11
  • Spacegroup Symbol: P12_1/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -227.82669049
  • Final energy per atom: -7.594223016333333
  • 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.