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  1. Third-Parties
  2. MatprojStructure
  3. mp-1105494

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-1105494
  • 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: 20
  • Number of elements: 4
  • Element list: ['K', 'Cd', 'Ge', 'As']
  • Chemical System: As-Cd-Ge-K
  • Density: 4.429793955368801
  • Atomic Density: 0.035664943476469486
  • Unit Cell Volume: 560.7747566793515
  • Molar Volume: 16.885322596889026
  • Full Formula: K4 Cd4 Ge4 As8
  • Reduced Formula: KCdGeAs2
  • Formula Anonymous: ABCD2
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -69.95272872
  • Final energy per atom: -3.4976364359999996
  • 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.