Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-608014

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-608014
  • 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: 13
  • Number of elements: 4
  • Element list: ['K', 'Ge', 'Pb', 'O']
  • Chemical System: Ge-K-O-Pb
  • Density: 5.118890118122561
  • Atomic Density: 0.05344199878279047
  • Unit Cell Volume: 243.25437476313655
  • Molar Volume: 11.26855450238
  • Full Formula: K2 Ge2 Pb2 O7
  • Reduced Formula: K2Ge2Pb2O7
  • Formula Anonymous: A2B2C2D7
  • Spacegroup Number: 147
  • Spacegroup Symbol: P-3
  • Crystal System: trigonal
  • Pointgroup: -3

Thermodynamics:

  • Final energy: -79.25004741
  • Final energy per atom: -6.096157493076922
  • 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.