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  1. Third-Parties
  2. MatprojStructure
  3. mp-9330

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-9330
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 10
  • Number of elements: 3
  • Element list: ['Cd', 'P', 'S']
  • Chemical System: Cd-P-S
  • Density: 3.1523476379824418
  • Atomic Density: 0.03961912527266016
  • Unit Cell Volume: 252.40335144149856
  • Molar Volume: 15.200085106764531
  • Full Formula: Cd2 P2 S6
  • Reduced Formula: CdPS3
  • Formula Anonymous: ABC3
  • Spacegroup Number: 148
  • Spacegroup Symbol: R-3H
  • Crystal System: trigonal
  • Pointgroup: -3

Thermodynamics:

  • Final energy: -44.56015427
  • Final energy per atom: -4.456015427
  • 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.