Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-704534

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-704534
  • 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: 76
  • Number of elements: 5
  • Element list: ['K', 'Zr', 'Mn', 'P', 'O']
  • Chemical System: K-Mn-O-P-Zr
  • Density: 3.137639881446159
  • Atomic Density: 0.06806981015601996
  • Unit Cell Volume: 1116.5008367998028
  • Molar Volume: 8.847006839297633
  • Full Formula: K8 Zr6 Mn2 P12 O48
  • Reduced Formula: K4Zr3Mn(PO4)6
  • Formula Anonymous: AB3C4D6E24
  • Spacegroup Number: 4
  • Spacegroup Symbol: P12_11
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -605.53702962
  • Final energy per atom: -7.967592495
  • 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.