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  1. Third-Parties
  2. MatprojStructure
  3. mp-23476

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-23476
  • 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: 68
  • Number of elements: 3
  • Element list: ['Cd', 'P', 'Cl']
  • Chemical System: Cd-Cl-P
  • Density: 4.1793145828275025
  • Atomic Density: 0.03808339493325842
  • Unit Cell Volume: 1785.5550987292695
  • Molar Volume: 15.813035498946114
  • Full Formula: Cd28 P16 Cl24
  • Reduced Formula: Cd7(P2Cl3)2
  • Formula Anonymous: A4B6C7
  • Spacegroup Number: 205
  • Spacegroup Symbol: Pa-3
  • Crystal System: cubic
  • Pointgroup: m-3

Thermodynamics:

  • Final energy: -215.23751791
  • Final energy per atom: -3.1652576163235295
  • 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.