Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1228844

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-1228844
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 77
  • Number of elements: 4
  • Element list: ['Er', 'Cu', 'Pb', 'S']
  • Chemical System: Cu-Er-Pb-S
  • Density: 6.483941814149094
  • Atomic Density: 0.04333584981206521
  • Unit Cell Volume: 1776.8198923968555
  • Molar Volume: 13.896440905431064
  • Full Formula: Er20 Cu6 Pb9 S42
  • Reduced Formula: Er20Cu6(Pb3S14)3
  • Formula Anonymous: A6B9C20D42
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -458.41601941
  • Final energy per atom: -5.953454797532467
  • 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.