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  1. Third-Parties
  2. MatprojStructure
  3. mp-1223383

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-1223383
  • 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: 48
  • Number of elements: 5
  • Element list: ['Na', 'Ca', 'Nb', 'Bi', 'O']
  • Chemical System: Bi-Ca-Na-Nb-O
  • Density: 5.767093326416101
  • Atomic Density: 0.07471315016721004
  • Unit Cell Volume: 642.4571831407818
  • Molar Volume: 8.060349144056016
  • Full Formula: Na4 Ca2 Nb8 Bi4 O30
  • Reduced Formula: Na2CaNb4Bi2O15
  • Formula Anonymous: AB2C2D4E15
  • Spacegroup Number: 36
  • Spacegroup Symbol: Cmc2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -384.99930789000007
  • Final energy per atom: -8.020818914375
  • 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.