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  1. Third-Parties
  2. MatprojStructure
  3. mp-10409

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-10409
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 38
  • Number of elements: 4
  • Element list: ['Ba', 'Nd', 'Cd', 'Se']
  • Chemical System: Ba-Cd-Nd-Se
  • Density: 5.502994462190037
  • Atomic Density: 0.03204969589723051
  • Unit Cell Volume: 1185.65867588415
  • Molar Volume: 18.790009051288337
  • Full Formula: Ba8 Nd4 Cd6 Se20
  • Reduced Formula: Ba4Nd2Cd3Se10
  • Formula Anonymous: A2B3C4D10
  • Spacegroup Number: 36
  • Spacegroup Symbol: Cmc2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -178.01975353
  • Final energy per atom: -4.684730356052632
  • 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.