Workflow Type

Materials Project

The Materials Project at Berkeley National Labs

Source Website Cite API JSON Python-client

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Filter mix-ins: ['Structure', 'Thermodynamics']

Extra filters: ['energy_uncorrected__range', 'band_gap__range', 'is_gap_direct', 'is_magnetic', 'total_magnetization__range', 'is_theoretical']

Nelements is in range

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Formula anonymous

Formula full

Formula reduced

Chemical system

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Nsites is in range

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Density is in range

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Density atomic is in range

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Volume is in range

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Volume molar is in range

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Spacegroup number

Spacegroup symbol

Spacegroup crystal system

Spacegroup point group

Energy is in range

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Energy per atom is in range

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Energy above hull is in range

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Is stable

Formation energy is in range

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Formation energy is in range

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Search Results:

This table includes 146323 results that match your search criteria. These results were filtered from the 146323 total possible results.

ID	Dashboards	Full Formula	Spacegroup	Density
mp-1203976	simmate / provider	Cd₂ Re₄ H₅₂ C₁₂ S₁₂ N₂₄ O₁₈	15	2.241
mp-1203521	simmate / provider	Cd₂ Re₄ H₁₆ C₄ S₄ N₈ O₁₆	14	3.202
mp-1199458	simmate / provider	Co₁₂ B₆ P₂₄ H₁₂ Pb₂₄ Cl₆ O₁₀₈	167	5.437
mp-1199171	simmate / provider	Co₁ H₂₄ C₄ S₄ N₈ Cl₂ O₈	2	1.551
mp-1199420	simmate / provider	Co₂ P₄ H₇₂ C₂₄ Br₄ N₁₂ O₄	15	1.355
mp-1199489	simmate / provider	Cs₂ Ag₂ H₂₄ C₈ S₈ N₄ O₁₆	15	2.224
mp-24682	simmate / provider	Cs₁ Cr₁ H₁₈ Br₂ N₆ Cl₂ O₈	148	2.309
mp-605196	simmate / provider	Cs₂ Cu₆ As₁₆ H₄₈ C₁₆ I₈ O₁₆	2	3.030
mp-1198212	simmate / provider	Cs₂ Mo₄ H₄ C₁₄ S₁₄ O₄₂ F₄₂	11	2.147
mp-605172	simmate / provider	Cu₆ As₄ H₃₂ C₃₂ Br₆ N₄ O₄	2	2.259
mp-542553	simmate / provider	Cu₆ As₈ H₃₆ C₁₆ Br₆ N₄ O₈	15	2.569
mp-542554	simmate / provider	Cu₆ As₈ H₃₆ C₁₆ I₆ N₄ O₈	15	2.781

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Workflow Type

Materials Project

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