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  1. Third-Parties
  2. MatprojStructure
  3. mp-1191256

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-1191256
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 25
  • Number of elements: 3
  • Element list: ['Ca', 'Cd', 'As']
  • Chemical System: As-Ca-Cd
  • Density: 4.446678554438779
  • Atomic Density: 0.039102988431065626
  • Unit Cell Volume: 639.3373244112101
  • Molar Volume: 15.400717442904368
  • Full Formula: Ca10 Cd5 As10
  • Reduced Formula: Ca2CdAs2
  • Formula Anonymous: AB2C2
  • Spacegroup Number: 8
  • Spacegroup Symbol: C1m1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -94.02142785
  • Final energy per atom: -3.760857114
  • 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.