Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1226921

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-1226921
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 27
  • Number of elements: 4
  • Element list: ['Cd', 'Bi', 'Cl', 'O']
  • Chemical System: Bi-Cd-Cl-O
  • Density: 6.7675777000063935
  • Atomic Density: 0.048544346628944676
  • Unit Cell Volume: 556.192468844584
  • Molar Volume: 12.405441989014813
  • Full Formula: Cd1 Bi8 Cl10 O8
  • Reduced Formula: CdBi8(Cl5O4)2
  • Formula Anonymous: AB8C8D10
  • Spacegroup Number: 65
  • Spacegroup Symbol: Cmmm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -134.05094098
  • Final energy per atom: -4.964849665925926
  • 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.