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[ { "content": "Generate a fully relaxed CIF for the following material.\nComposition: DySiNi\n\nRequirements:\n1. Use <think> tags to reason through lattice parameters and atomic positions.\n2. Use <answer> tags to provide the final CIF string.\n", "role": "user" } ]
{"composition": "DySiNi", "spacegroup_symbol": null, "spacegroup_number": null}
{ "composition": "DySiNi", "spacegroup_number": null, "spacegroup_symbol": null }
composition-constrained-generation
[ { "content": "Generate a fully relaxed CIF for the following material.\nComposition: Tm2ZnIn\n\nRequirements:\n1. Use <think> tags to reason through lattice parameters and atomic positions.\n2. Use <answer> tags to provide the final CIF string.\n", "role": "user" } ]
{"composition": "Tm2ZnIn", "spacegroup_symbol": null, "spacegroup_number": null}
{ "composition": "Tm2ZnIn", "spacegroup_number": null, "spacegroup_symbol": null }
composition-constrained-generation
[ { "content": "Generate a fully relaxed CIF for the following material.\nComposition: As2Ir\n\nRequirements:\n1. Use <think> tags to reason through lattice parameters and atomic positions.\n2. Use <answer> tags to provide the final CIF string.\n", "role": "user" } ]
{"composition": "As2Ir", "spacegroup_symbol": null, "spacegroup_number": null}
{ "composition": "As2Ir", "spacegroup_number": null, "spacegroup_symbol": null }
composition-constrained-generation
[ { "content": "Generate a fully relaxed CIF for the following material.\nComposition: Lu3Ru\n\nRequirements:\n1. Use <think> tags to reason through lattice parameters and atomic positions.\n2. Use <answer> tags to provide the final CIF string.\n", "role": "user" } ]
{"composition": "Lu3Ru", "spacegroup_symbol": null, "spacegroup_number": null}
{ "composition": "Lu3Ru", "spacegroup_number": null, "spacegroup_symbol": null }
composition-constrained-generation
[ { "content": "Generate a fully relaxed CIF for the following material.\nComposition: Hf2Ni\n\nRequirements:\n1. Use <think> tags to reason through lattice parameters and atomic positions.\n2. Use <answer> tags to provide the final CIF string.\n", "role": "user" } ]
{"composition": "Hf2Ni", "spacegroup_symbol": null, "spacegroup_number": null}
{ "composition": "Hf2Ni", "spacegroup_number": null, "spacegroup_symbol": null }
composition-constrained-generation
[ { "content": "Generate a fully relaxed CIF for the following material.\nComposition: SmNiSb\n\nRequirements:\n1. Use <think> tags to reason through lattice parameters and atomic positions.\n2. Use <answer> tags to provide the final CIF string.\n", "role": "user" } ]
{"composition": "SmNiSb", "spacegroup_symbol": null, "spacegroup_number": null}
{ "composition": "SmNiSb", "spacegroup_number": null, "spacegroup_symbol": null }
composition-constrained-generation
[ { "content": "Generate a fully relaxed CIF for the following material.\nComposition: LiLu2Al\n\nRequirements:\n1. Use <think> tags to reason through lattice parameters and atomic positions.\n2. Use <answer> tags to provide the final CIF string.\n", "role": "user" } ]
{"composition": "LiLu2Al", "spacegroup_symbol": null, "spacegroup_number": null}
{ "composition": "LiLu2Al", "spacegroup_number": null, "spacegroup_symbol": null }
composition-constrained-generation
[ { "content": "Generate a fully relaxed CIF for the following material.\nComposition: BaAgO2\n\nRequirements:\n1. Use <think> tags to reason through lattice parameters and atomic positions.\n2. Use <answer> tags to provide the final CIF string.\n", "role": "user" } ]
{"composition": "BaAgO2", "spacegroup_symbol": null, "spacegroup_number": null}
{ "composition": "BaAgO2", "spacegroup_number": null, "spacegroup_symbol": null }
composition-constrained-generation
[ { "content": "Generate a fully relaxed CIF for the following material.\nComposition: NdSiAg\n\nRequirements:\n1. Use <think> tags to reason through lattice parameters and atomic positions.\n2. Use <answer> tags to provide the final CIF string.\n", "role": "user" } ]
{"composition": "NdSiAg", "spacegroup_symbol": null, "spacegroup_number": null}
{ "composition": "NdSiAg", "spacegroup_number": null, "spacegroup_symbol": null }
composition-constrained-generation
[ { "content": "Generate a fully relaxed CIF for the following material.\nComposition: BaHg2Bi\n\nRequirements:\n1. Use <think> tags to reason through lattice parameters and atomic positions.\n2. Use <answer> tags to provide the final CIF string.\n", "role": "user" } ]
{"composition": "BaHg2Bi", "spacegroup_symbol": null, "spacegroup_number": null}
{ "composition": "BaHg2Bi", "spacegroup_number": null, "spacegroup_symbol": null }
composition-constrained-generation
[ { "content": "Generate a fully relaxed CIF for the following material.\nComposition: Tc3Pt\n\nRequirements:\n1. Use <think> tags to reason through lattice parameters and atomic positions.\n2. Use <answer> tags to provide the final CIF string.\n", "role": "user" } ]
{"composition": "Tc3Pt", "spacegroup_symbol": null, "spacegroup_number": null}
{ "composition": "Tc3Pt", "spacegroup_number": null, "spacegroup_symbol": null }
composition-constrained-generation
[ { "content": "Generate a fully relaxed CIF for the following material.\nComposition: BaPIr\n\nRequirements:\n1. Use <think> tags to reason through lattice parameters and atomic positions.\n2. Use <answer> tags to provide the final CIF string.\n", "role": "user" } ]
{"composition": "BaPIr", "spacegroup_symbol": null, "spacegroup_number": null}
{ "composition": "BaPIr", "spacegroup_number": null, "spacegroup_symbol": null }
composition-constrained-generation
[ { "content": "Generate a fully relaxed CIF for the following material.\nComposition: Zn3Rh\n\nRequirements:\n1. Use <think> tags to reason through lattice parameters and atomic positions.\n2. Use <answer> tags to provide the final CIF string.\n", "role": "user" } ]
{"composition": "Zn3Rh", "spacegroup_symbol": null, "spacegroup_number": null}
{ "composition": "Zn3Rh", "spacegroup_number": null, "spacegroup_symbol": null }
composition-constrained-generation
[ { "content": "Generate a fully relaxed CIF for the following material.\nComposition: TbGe2Pd\n\nRequirements:\n1. Use <think> tags to reason through lattice parameters and atomic positions.\n2. Use <answer> tags to provide the final CIF string.\n", "role": "user" } ]
{"composition": "TbGe2Pd", "spacegroup_symbol": null, "spacegroup_number": null}
{ "composition": "TbGe2Pd", "spacegroup_number": null, "spacegroup_symbol": null }
composition-constrained-generation
[ { "content": "Generate a fully relaxed CIF for the following material.\nComposition: NbSe2\n\nRequirements:\n1. Use <think> tags to reason through lattice parameters and atomic positions.\n2. Use <answer> tags to provide the final CIF string.\n", "role": "user" } ]
{"composition": "NbSe2", "spacegroup_symbol": null, "spacegroup_number": null}
{ "composition": "NbSe2", "spacegroup_number": null, "spacegroup_symbol": null }
composition-constrained-generation
[ { "content": "Generate a fully relaxed CIF for the following material.\nComposition: Cd2AgAu\n\nRequirements:\n1. Use <think> tags to reason through lattice parameters and atomic positions.\n2. Use <answer> tags to provide the final CIF string.\n", "role": "user" } ]
{"composition": "Cd2AgAu", "spacegroup_symbol": null, "spacegroup_number": null}
{ "composition": "Cd2AgAu", "spacegroup_number": null, "spacegroup_symbol": null }
composition-constrained-generation
[ { "content": "Generate a fully relaxed CIF for the following material.\nComposition: CoSb2\n\nRequirements:\n1. Use <think> tags to reason through lattice parameters and atomic positions.\n2. Use <answer> tags to provide the final CIF string.\n", "role": "user" } ]
{"composition": "CoSb2", "spacegroup_symbol": null, "spacegroup_number": null}
{ "composition": "CoSb2", "spacegroup_number": null, "spacegroup_symbol": null }
composition-constrained-generation
[ { "content": "Generate a fully relaxed CIF for the following material.\nComposition: ZrInNi2\n\nRequirements:\n1. Use <think> tags to reason through lattice parameters and atomic positions.\n2. Use <answer> tags to provide the final CIF string.\n", "role": "user" } ]
{"composition": "ZrInNi2", "spacegroup_symbol": null, "spacegroup_number": null}
{ "composition": "ZrInNi2", "spacegroup_number": null, "spacegroup_symbol": null }
composition-constrained-generation
[ { "content": "Generate a fully relaxed CIF for the following material.\nComposition: AcAgHg2\n\nRequirements:\n1. Use <think> tags to reason through lattice parameters and atomic positions.\n2. Use <answer> tags to provide the final CIF string.\n", "role": "user" } ]
{"composition": "AcAgHg2", "spacegroup_symbol": null, "spacegroup_number": null}
{ "composition": "AcAgHg2", "spacegroup_number": null, "spacegroup_symbol": null }
composition-constrained-generation
[ { "content": "Generate a fully relaxed CIF for the following material.\nComposition: YbSmAu2\n\nRequirements:\n1. Use <think> tags to reason through lattice parameters and atomic positions.\n2. Use <answer> tags to provide the final CIF string.\n", "role": "user" } ]
{"composition": "YbSmAu2", "spacegroup_symbol": null, "spacegroup_number": null}
{ "composition": "YbSmAu2", "spacegroup_number": null, "spacegroup_symbol": null }
composition-constrained-generation
[ { "content": "Generate a fully relaxed CIF for the following material.\nComposition: LiTm2Rh\n\nRequirements:\n1. Use <think> tags to reason through lattice parameters and atomic positions.\n2. Use <answer> tags to provide the final CIF string.\n", "role": "user" } ]
{"composition": "LiTm2Rh", "spacegroup_symbol": null, "spacegroup_number": null}
{ "composition": "LiTm2Rh", "spacegroup_number": null, "spacegroup_symbol": null }
composition-constrained-generation
[ { "content": "Generate a fully relaxed CIF for the following material.\nComposition: HgTe\n\nRequirements:\n1. Use <think> tags to reason through lattice parameters and atomic positions.\n2. Use <answer> tags to provide the final CIF string.\n", "role": "user" } ]
{"composition": "HgTe", "spacegroup_symbol": null, "spacegroup_number": null}
{ "composition": "HgTe", "spacegroup_number": null, "spacegroup_symbol": null }
composition-constrained-generation
[ { "content": "Generate a fully relaxed CIF for the following material.\nComposition: InTe\n\nRequirements:\n1. Use <think> tags to reason through lattice parameters and atomic positions.\n2. Use <answer> tags to provide the final CIF string.\n", "role": "user" } ]
{"composition": "InTe", "spacegroup_symbol": null, "spacegroup_number": null}
{ "composition": "InTe", "spacegroup_number": null, "spacegroup_symbol": null }
composition-constrained-generation
[ { "content": "Generate a fully relaxed CIF for the following material.\nComposition: ErPaRu2\n\nRequirements:\n1. Use <think> tags to reason through lattice parameters and atomic positions.\n2. Use <answer> tags to provide the final CIF string.\n", "role": "user" } ]
{"composition": "ErPaRu2", "spacegroup_symbol": null, "spacegroup_number": null}
{ "composition": "ErPaRu2", "spacegroup_number": null, "spacegroup_symbol": null }
composition-constrained-generation
[ { "content": "Generate a fully relaxed CIF for the following material.\nComposition: Yb2ZnSn\n\nRequirements:\n1. Use <think> tags to reason through lattice parameters and atomic positions.\n2. Use <answer> tags to provide the final CIF string.\n", "role": "user" } ]
{"composition": "Yb2ZnSn", "spacegroup_symbol": null, "spacegroup_number": null}
{ "composition": "Yb2ZnSn", "spacegroup_number": null, "spacegroup_symbol": null }
composition-constrained-generation
[ { "content": "Generate a fully relaxed CIF for the following material.\nComposition: LiZr2Tc\n\nRequirements:\n1. Use <think> tags to reason through lattice parameters and atomic positions.\n2. Use <answer> tags to provide the final CIF string.\n", "role": "user" } ]
{"composition": "LiZr2Tc", "spacegroup_symbol": null, "spacegroup_number": null}
{ "composition": "LiZr2Tc", "spacegroup_number": null, "spacegroup_symbol": null }
composition-constrained-generation
[ { "content": "Generate a fully relaxed CIF for the following material.\nComposition: Na2SbAs\n\nRequirements:\n1. Use <think> tags to reason through lattice parameters and atomic positions.\n2. Use <answer> tags to provide the final CIF string.\n", "role": "user" } ]
{"composition": "Na2SbAs", "spacegroup_symbol": null, "spacegroup_number": null}
{ "composition": "Na2SbAs", "spacegroup_number": null, "spacegroup_symbol": null }
composition-constrained-generation
[ { "content": "Generate a fully relaxed CIF for the following material.\nComposition: YHgPd2\n\nRequirements:\n1. Use <think> tags to reason through lattice parameters and atomic positions.\n2. Use <answer> tags to provide the final CIF string.\n", "role": "user" } ]
{"composition": "YHgPd2", "spacegroup_symbol": null, "spacegroup_number": null}
{ "composition": "YHgPd2", "spacegroup_number": null, "spacegroup_symbol": null }
composition-constrained-generation
[ { "content": "Generate a fully relaxed CIF for the following material.\nComposition: Yb2AgBi\n\nRequirements:\n1. Use <think> tags to reason through lattice parameters and atomic positions.\n2. Use <answer> tags to provide the final CIF string.\n", "role": "user" } ]
{"composition": "Yb2AgBi", "spacegroup_symbol": null, "spacegroup_number": null}
{ "composition": "Yb2AgBi", "spacegroup_number": null, "spacegroup_symbol": null }
composition-constrained-generation
[ { "content": "Generate a fully relaxed CIF for the following material.\nComposition: ZnGeP2\n\nRequirements:\n1. Use <think> tags to reason through lattice parameters and atomic positions.\n2. Use <answer> tags to provide the final CIF string.\n", "role": "user" } ]
{"composition": "ZnGeP2", "spacegroup_symbol": null, "spacegroup_number": null}
{ "composition": "ZnGeP2", "spacegroup_number": null, "spacegroup_symbol": null }
composition-constrained-generation
[ { "content": "Generate a fully relaxed CIF for the following material.\nComposition: NaI\n\nRequirements:\n1. Use <think> tags to reason through lattice parameters and atomic positions.\n2. Use <answer> tags to provide the final CIF string.\n", "role": "user" } ]
{"composition": "NaI", "spacegroup_symbol": null, "spacegroup_number": null}
{ "composition": "NaI", "spacegroup_number": null, "spacegroup_symbol": null }
composition-constrained-generation
[ { "content": "Generate a fully relaxed CIF for the following material.\nComposition: GdCd2\n\nRequirements:\n1. Use <think> tags to reason through lattice parameters and atomic positions.\n2. Use <answer> tags to provide the final CIF string.\n", "role": "user" } ]
{"composition": "GdCd2", "spacegroup_symbol": null, "spacegroup_number": null}
{ "composition": "GdCd2", "spacegroup_number": null, "spacegroup_symbol": null }
composition-constrained-generation
[ { "content": "Generate a fully relaxed CIF for the following material.\nComposition: NaPmAu2\n\nRequirements:\n1. Use <think> tags to reason through lattice parameters and atomic positions.\n2. Use <answer> tags to provide the final CIF string.\n", "role": "user" } ]
{"composition": "NaPmAu2", "spacegroup_symbol": null, "spacegroup_number": null}
{ "composition": "NaPmAu2", "spacegroup_number": null, "spacegroup_symbol": null }
composition-constrained-generation
[ { "content": "Generate a fully relaxed CIF for the following material.\nComposition: Mg3Au\n\nRequirements:\n1. Use <think> tags to reason through lattice parameters and atomic positions.\n2. Use <answer> tags to provide the final CIF string.\n", "role": "user" } ]
{"composition": "Mg3Au", "spacegroup_symbol": null, "spacegroup_number": null}
{ "composition": "Mg3Au", "spacegroup_number": null, "spacegroup_symbol": null }
composition-constrained-generation
[ { "content": "Generate a fully relaxed CIF for the following material.\nComposition: TaFeSi\n\nRequirements:\n1. Use <think> tags to reason through lattice parameters and atomic positions.\n2. Use <answer> tags to provide the final CIF string.\n", "role": "user" } ]
{"composition": "TaFeSi", "spacegroup_symbol": null, "spacegroup_number": null}
{ "composition": "TaFeSi", "spacegroup_number": null, "spacegroup_symbol": null }
composition-constrained-generation
[ { "content": "Generate a fully relaxed CIF for the following material.\nComposition: SmFeSi2\n\nRequirements:\n1. Use <think> tags to reason through lattice parameters and atomic positions.\n2. Use <answer> tags to provide the final CIF string.\n", "role": "user" } ]
{"composition": "SmFeSi2", "spacegroup_symbol": null, "spacegroup_number": null}
{ "composition": "SmFeSi2", "spacegroup_number": null, "spacegroup_symbol": null }
composition-constrained-generation
[ { "content": "Generate a fully relaxed CIF for the following material.\nComposition: HfSiPt\n\nRequirements:\n1. Use <think> tags to reason through lattice parameters and atomic positions.\n2. Use <answer> tags to provide the final CIF string.\n", "role": "user" } ]
{"composition": "HfSiPt", "spacegroup_symbol": null, "spacegroup_number": null}
{ "composition": "HfSiPt", "spacegroup_number": null, "spacegroup_symbol": null }
composition-constrained-generation
[ { "content": "Generate a fully relaxed CIF for the following material.\nComposition: YbNdRh2\n\nRequirements:\n1. Use <think> tags to reason through lattice parameters and atomic positions.\n2. Use <answer> tags to provide the final CIF string.\n", "role": "user" } ]
{"composition": "YbNdRh2", "spacegroup_symbol": null, "spacegroup_number": null}
{ "composition": "YbNdRh2", "spacegroup_number": null, "spacegroup_symbol": null }
composition-constrained-generation
[ { "content": "Generate a fully relaxed CIF for the following material.\nComposition: Ba3Yb\n\nRequirements:\n1. Use <think> tags to reason through lattice parameters and atomic positions.\n2. Use <answer> tags to provide the final CIF string.\n", "role": "user" } ]
{"composition": "Ba3Yb", "spacegroup_symbol": null, "spacegroup_number": null}
{ "composition": "Ba3Yb", "spacegroup_number": null, "spacegroup_symbol": null }
composition-constrained-generation
[ { "content": "Generate a fully relaxed CIF for the following material.\nComposition: HoCuSb2\n\nRequirements:\n1. Use <think> tags to reason through lattice parameters and atomic positions.\n2. Use <answer> tags to provide the final CIF string.\n", "role": "user" } ]
{"composition": "HoCuSb2", "spacegroup_symbol": null, "spacegroup_number": null}
{ "composition": "HoCuSb2", "spacegroup_number": null, "spacegroup_symbol": null }
composition-constrained-generation
[ { "content": "Generate a fully relaxed CIF for the following material.\nComposition: Pm3Th\n\nRequirements:\n1. Use <think> tags to reason through lattice parameters and atomic positions.\n2. Use <answer> tags to provide the final CIF string.\n", "role": "user" } ]
{"composition": "Pm3Th", "spacegroup_symbol": null, "spacegroup_number": null}
{ "composition": "Pm3Th", "spacegroup_number": null, "spacegroup_symbol": null }
composition-constrained-generation
[ { "content": "Generate a fully relaxed CIF for the following material.\nComposition: CeSe2\n\nRequirements:\n1. Use <think> tags to reason through lattice parameters and atomic positions.\n2. Use <answer> tags to provide the final CIF string.\n", "role": "user" } ]
{"composition": "CeSe2", "spacegroup_symbol": null, "spacegroup_number": null}
{ "composition": "CeSe2", "spacegroup_number": null, "spacegroup_symbol": null }
composition-constrained-generation
[ { "content": "Generate a fully relaxed CIF for the following material.\nComposition: PrDyIn2\n\nRequirements:\n1. Use <think> tags to reason through lattice parameters and atomic positions.\n2. Use <answer> tags to provide the final CIF string.\n", "role": "user" } ]
{"composition": "PrDyIn2", "spacegroup_symbol": null, "spacegroup_number": null}
{ "composition": "PrDyIn2", "spacegroup_number": null, "spacegroup_symbol": null }
composition-constrained-generation
[ { "content": "Generate a fully relaxed CIF for the following material.\nComposition: ThH2\n\nRequirements:\n1. Use <think> tags to reason through lattice parameters and atomic positions.\n2. Use <answer> tags to provide the final CIF string.\n", "role": "user" } ]
{"composition": "ThH2", "spacegroup_symbol": null, "spacegroup_number": null}
{ "composition": "ThH2", "spacegroup_number": null, "spacegroup_symbol": null }
composition-constrained-generation
[ { "content": "Generate a fully relaxed CIF for the following material.\nComposition: KNaTe\n\nRequirements:\n1. Use <think> tags to reason through lattice parameters and atomic positions.\n2. Use <answer> tags to provide the final CIF string.\n", "role": "user" } ]
{"composition": "KNaTe", "spacegroup_symbol": null, "spacegroup_number": null}
{ "composition": "KNaTe", "spacegroup_number": null, "spacegroup_symbol": null }
composition-constrained-generation
[ { "content": "Generate a fully relaxed CIF for the following material.\nComposition: EuGaGe\n\nRequirements:\n1. Use <think> tags to reason through lattice parameters and atomic positions.\n2. Use <answer> tags to provide the final CIF string.\n", "role": "user" } ]
{"composition": "EuGaGe", "spacegroup_symbol": null, "spacegroup_number": null}
{ "composition": "EuGaGe", "spacegroup_number": null, "spacegroup_symbol": null }
composition-constrained-generation
[ { "content": "Generate a fully relaxed CIF for the following material.\nComposition: Al3Ag\n\nRequirements:\n1. Use <think> tags to reason through lattice parameters and atomic positions.\n2. Use <answer> tags to provide the final CIF string.\n", "role": "user" } ]
{"composition": "Al3Ag", "spacegroup_symbol": null, "spacegroup_number": null}
{ "composition": "Al3Ag", "spacegroup_number": null, "spacegroup_symbol": null }
composition-constrained-generation
[ { "content": "Generate a fully relaxed CIF for the following material.\nComposition: Cd3In\n\nRequirements:\n1. Use <think> tags to reason through lattice parameters and atomic positions.\n2. Use <answer> tags to provide the final CIF string.\n", "role": "user" } ]
{"composition": "Cd3In", "spacegroup_symbol": null, "spacegroup_number": null}
{ "composition": "Cd3In", "spacegroup_number": null, "spacegroup_symbol": null }
composition-constrained-generation
[ { "content": "Generate a fully relaxed CIF for the following material.\nComposition: LuCdRh2\n\nRequirements:\n1. Use <think> tags to reason through lattice parameters and atomic positions.\n2. Use <answer> tags to provide the final CIF string.\n", "role": "user" } ]
{"composition": "LuCdRh2", "spacegroup_symbol": null, "spacegroup_number": null}
{ "composition": "LuCdRh2", "spacegroup_number": null, "spacegroup_symbol": null }
composition-constrained-generation
[ { "content": "Generate a fully relaxed CIF for the following material.\nComposition: NdCd2Pd\n\nRequirements:\n1. Use <think> tags to reason through lattice parameters and atomic positions.\n2. Use <answer> tags to provide the final CIF string.\n", "role": "user" } ]
{"composition": "NdCd2Pd", "spacegroup_symbol": null, "spacegroup_number": null}
{ "composition": "NdCd2Pd", "spacegroup_number": null, "spacegroup_symbol": null }
composition-constrained-generation
[ { "content": "Generate a fully relaxed CIF for the following material.\nComposition: YbGa2Ag\n\nRequirements:\n1. Use <think> tags to reason through lattice parameters and atomic positions.\n2. Use <answer> tags to provide the final CIF string.\n", "role": "user" } ]
{"composition": "YbGa2Ag", "spacegroup_symbol": null, "spacegroup_number": null}
{ "composition": "YbGa2Ag", "spacegroup_number": null, "spacegroup_symbol": null }
composition-constrained-generation
[ { "content": "Generate a fully relaxed CIF for the following material.\nComposition: Li2YbSn\n\nRequirements:\n1. Use <think> tags to reason through lattice parameters and atomic positions.\n2. Use <answer> tags to provide the final CIF string.\n", "role": "user" } ]
{"composition": "Li2YbSn", "spacegroup_symbol": null, "spacegroup_number": null}
{ "composition": "Li2YbSn", "spacegroup_number": null, "spacegroup_symbol": null }
composition-constrained-generation
[ { "content": "Generate a fully relaxed CIF for the following material.\nComposition: LiBePt2\n\nRequirements:\n1. Use <think> tags to reason through lattice parameters and atomic positions.\n2. Use <answer> tags to provide the final CIF string.\n", "role": "user" } ]
{"composition": "LiBePt2", "spacegroup_symbol": null, "spacegroup_number": null}
{ "composition": "LiBePt2", "spacegroup_number": null, "spacegroup_symbol": null }
composition-constrained-generation
[ { "content": "Generate a fully relaxed CIF for the following material.\nComposition: SmDyMg2\n\nRequirements:\n1. Use <think> tags to reason through lattice parameters and atomic positions.\n2. Use <answer> tags to provide the final CIF string.\n", "role": "user" } ]
{"composition": "SmDyMg2", "spacegroup_symbol": null, "spacegroup_number": null}
{ "composition": "SmDyMg2", "spacegroup_number": null, "spacegroup_symbol": null }
composition-constrained-generation
[ { "content": "Generate a fully relaxed CIF for the following material.\nComposition: NdCoGe\n\nRequirements:\n1. Use <think> tags to reason through lattice parameters and atomic positions.\n2. Use <answer> tags to provide the final CIF string.\n", "role": "user" } ]
{"composition": "NdCoGe", "spacegroup_symbol": null, "spacegroup_number": null}
{ "composition": "NdCoGe", "spacegroup_number": null, "spacegroup_symbol": null }
composition-constrained-generation
[ { "content": "Generate a fully relaxed CIF for the following material.\nComposition: TbYHg2\n\nRequirements:\n1. Use <think> tags to reason through lattice parameters and atomic positions.\n2. Use <answer> tags to provide the final CIF string.\n", "role": "user" } ]
{"composition": "TbYHg2", "spacegroup_symbol": null, "spacegroup_number": null}
{ "composition": "TbYHg2", "spacegroup_number": null, "spacegroup_symbol": null }
composition-constrained-generation
[ { "content": "Generate a fully relaxed CIF for the following material.\nComposition: SrZn2\n\nRequirements:\n1. Use <think> tags to reason through lattice parameters and atomic positions.\n2. Use <answer> tags to provide the final CIF string.\n", "role": "user" } ]
{"composition": "SrZn2", "spacegroup_symbol": null, "spacegroup_number": null}
{ "composition": "SrZn2", "spacegroup_number": null, "spacegroup_symbol": null }
composition-constrained-generation
[ { "content": "Generate a fully relaxed CIF for the following material.\nComposition: SmGe2Ir\n\nRequirements:\n1. Use <think> tags to reason through lattice parameters and atomic positions.\n2. Use <answer> tags to provide the final CIF string.\n", "role": "user" } ]
{"composition": "SmGe2Ir", "spacegroup_symbol": null, "spacegroup_number": null}
{ "composition": "SmGe2Ir", "spacegroup_number": null, "spacegroup_symbol": null }
composition-constrained-generation
[ { "content": "Generate a fully relaxed CIF for the following material.\nComposition: Hf2ZnRe\n\nRequirements:\n1. Use <think> tags to reason through lattice parameters and atomic positions.\n2. Use <answer> tags to provide the final CIF string.\n", "role": "user" } ]
{"composition": "Hf2ZnRe", "spacegroup_symbol": null, "spacegroup_number": null}
{ "composition": "Hf2ZnRe", "spacegroup_number": null, "spacegroup_symbol": null }
composition-constrained-generation
[ { "content": "Generate a fully relaxed CIF for the following material.\nComposition: MgPd3\n\nRequirements:\n1. Use <think> tags to reason through lattice parameters and atomic positions.\n2. Use <answer> tags to provide the final CIF string.\n", "role": "user" } ]
{"composition": "MgPd3", "spacegroup_symbol": null, "spacegroup_number": null}
{ "composition": "MgPd3", "spacegroup_number": null, "spacegroup_symbol": null }
composition-constrained-generation
[ { "content": "Generate a fully relaxed CIF for the following material.\nComposition: Lu2CdHg\n\nRequirements:\n1. Use <think> tags to reason through lattice parameters and atomic positions.\n2. Use <answer> tags to provide the final CIF string.\n", "role": "user" } ]
{"composition": "Lu2CdHg", "spacegroup_symbol": null, "spacegroup_number": null}
{ "composition": "Lu2CdHg", "spacegroup_number": null, "spacegroup_symbol": null }
composition-constrained-generation
[ { "content": "Generate a fully relaxed CIF for the following material.\nComposition: Sn2Ru\n\nRequirements:\n1. Use <think> tags to reason through lattice parameters and atomic positions.\n2. Use <answer> tags to provide the final CIF string.\n", "role": "user" } ]
{"composition": "Sn2Ru", "spacegroup_symbol": null, "spacegroup_number": null}
{ "composition": "Sn2Ru", "spacegroup_number": null, "spacegroup_symbol": null }
composition-constrained-generation
[ { "content": "Generate a fully relaxed CIF for the following material.\nComposition: MgCd3\n\nRequirements:\n1. Use <think> tags to reason through lattice parameters and atomic positions.\n2. Use <answer> tags to provide the final CIF string.\n", "role": "user" } ]
{"composition": "MgCd3", "spacegroup_symbol": null, "spacegroup_number": null}
{ "composition": "MgCd3", "spacegroup_number": null, "spacegroup_symbol": null }
composition-constrained-generation
[ { "content": "Generate a fully relaxed CIF for the following material.\nComposition: NpSi\n\nRequirements:\n1. Use <think> tags to reason through lattice parameters and atomic positions.\n2. Use <answer> tags to provide the final CIF string.\n", "role": "user" } ]
{"composition": "NpSi", "spacegroup_symbol": null, "spacegroup_number": null}
{ "composition": "NpSi", "spacegroup_number": null, "spacegroup_symbol": null }
composition-constrained-generation
[ { "content": "Generate a fully relaxed CIF for the following material.\nComposition: VPt\n\nRequirements:\n1. Use <think> tags to reason through lattice parameters and atomic positions.\n2. Use <answer> tags to provide the final CIF string.\n", "role": "user" } ]
{"composition": "VPt", "spacegroup_symbol": null, "spacegroup_number": null}
{ "composition": "VPt", "spacegroup_number": null, "spacegroup_symbol": null }
composition-constrained-generation
[ { "content": "Generate a fully relaxed CIF for the following material.\nComposition: AlFeCo2\n\nRequirements:\n1. Use <think> tags to reason through lattice parameters and atomic positions.\n2. Use <answer> tags to provide the final CIF string.\n", "role": "user" } ]
{"composition": "AlFeCo2", "spacegroup_symbol": null, "spacegroup_number": null}
{ "composition": "AlFeCo2", "spacegroup_number": null, "spacegroup_symbol": null }
composition-constrained-generation
[ { "content": "Generate a fully relaxed CIF for the following material.\nComposition: Dy2ZnPt\n\nRequirements:\n1. Use <think> tags to reason through lattice parameters and atomic positions.\n2. Use <answer> tags to provide the final CIF string.\n", "role": "user" } ]
{"composition": "Dy2ZnPt", "spacegroup_symbol": null, "spacegroup_number": null}
{ "composition": "Dy2ZnPt", "spacegroup_number": null, "spacegroup_symbol": null }
composition-constrained-generation
[ { "content": "Generate a fully relaxed CIF for the following material.\nComposition: Zn2NiRh\n\nRequirements:\n1. Use <think> tags to reason through lattice parameters and atomic positions.\n2. Use <answer> tags to provide the final CIF string.\n", "role": "user" } ]
{"composition": "Zn2NiRh", "spacegroup_symbol": null, "spacegroup_number": null}
{ "composition": "Zn2NiRh", "spacegroup_number": null, "spacegroup_symbol": null }
composition-constrained-generation
[ { "content": "Generate a fully relaxed CIF for the following material.\nComposition: NdCuS2\n\nRequirements:\n1. Use <think> tags to reason through lattice parameters and atomic positions.\n2. Use <answer> tags to provide the final CIF string.\n", "role": "user" } ]
{"composition": "NdCuS2", "spacegroup_symbol": null, "spacegroup_number": null}
{ "composition": "NdCuS2", "spacegroup_number": null, "spacegroup_symbol": null }
composition-constrained-generation
[ { "content": "Generate a fully relaxed CIF for the following material.\nComposition: MgGa3\n\nRequirements:\n1. Use <think> tags to reason through lattice parameters and atomic positions.\n2. Use <answer> tags to provide the final CIF string.\n", "role": "user" } ]
{"composition": "MgGa3", "spacegroup_symbol": null, "spacegroup_number": null}
{ "composition": "MgGa3", "spacegroup_number": null, "spacegroup_symbol": null }
composition-constrained-generation
[ { "content": "Generate a fully relaxed CIF for the following material.\nComposition: TbSnAu2\n\nRequirements:\n1. Use <think> tags to reason through lattice parameters and atomic positions.\n2. Use <answer> tags to provide the final CIF string.\n", "role": "user" } ]
{"composition": "TbSnAu2", "spacegroup_symbol": null, "spacegroup_number": null}
{ "composition": "TbSnAu2", "spacegroup_number": null, "spacegroup_symbol": null }
composition-constrained-generation
[ { "content": "Generate a fully relaxed CIF for the following material.\nComposition: Hf2CoIr\n\nRequirements:\n1. Use <think> tags to reason through lattice parameters and atomic positions.\n2. Use <answer> tags to provide the final CIF string.\n", "role": "user" } ]
{"composition": "Hf2CoIr", "spacegroup_symbol": null, "spacegroup_number": null}
{ "composition": "Hf2CoIr", "spacegroup_number": null, "spacegroup_symbol": null }
composition-constrained-generation
[ { "content": "Generate a fully relaxed CIF for the following material.\nComposition: Nb2Tc\n\nRequirements:\n1. Use <think> tags to reason through lattice parameters and atomic positions.\n2. Use <answer> tags to provide the final CIF string.\n", "role": "user" } ]
{"composition": "Nb2Tc", "spacegroup_symbol": null, "spacegroup_number": null}
{ "composition": "Nb2Tc", "spacegroup_number": null, "spacegroup_symbol": null }
composition-constrained-generation
[ { "content": "Generate a fully relaxed CIF for the following material.\nComposition: Re3Ni\n\nRequirements:\n1. Use <think> tags to reason through lattice parameters and atomic positions.\n2. Use <answer> tags to provide the final CIF string.\n", "role": "user" } ]
{"composition": "Re3Ni", "spacegroup_symbol": null, "spacegroup_number": null}
{ "composition": "Re3Ni", "spacegroup_number": null, "spacegroup_symbol": null }
composition-constrained-generation
[ { "content": "Generate a fully relaxed CIF for the following material.\nComposition: MnNbGe\n\nRequirements:\n1. Use <think> tags to reason through lattice parameters and atomic positions.\n2. Use <answer> tags to provide the final CIF string.\n", "role": "user" } ]
{"composition": "MnNbGe", "spacegroup_symbol": null, "spacegroup_number": null}
{ "composition": "MnNbGe", "spacegroup_number": null, "spacegroup_symbol": null }
composition-constrained-generation
[ { "content": "Generate a fully relaxed CIF for the following material.\nComposition: SmZnGe\n\nRequirements:\n1. Use <think> tags to reason through lattice parameters and atomic positions.\n2. Use <answer> tags to provide the final CIF string.\n", "role": "user" } ]
{"composition": "SmZnGe", "spacegroup_symbol": null, "spacegroup_number": null}
{ "composition": "SmZnGe", "spacegroup_number": null, "spacegroup_symbol": null }
composition-constrained-generation
[ { "content": "Generate a fully relaxed CIF for the following material.\nComposition: Cu3Sb\n\nRequirements:\n1. Use <think> tags to reason through lattice parameters and atomic positions.\n2. Use <answer> tags to provide the final CIF string.\n", "role": "user" } ]
{"composition": "Cu3Sb", "spacegroup_symbol": null, "spacegroup_number": null}
{ "composition": "Cu3Sb", "spacegroup_number": null, "spacegroup_symbol": null }
composition-constrained-generation
[ { "content": "Generate a fully relaxed CIF for the following material.\nComposition: Pm2MgAl\n\nRequirements:\n1. Use <think> tags to reason through lattice parameters and atomic positions.\n2. Use <answer> tags to provide the final CIF string.\n", "role": "user" } ]
{"composition": "Pm2MgAl", "spacegroup_symbol": null, "spacegroup_number": null}
{ "composition": "Pm2MgAl", "spacegroup_number": null, "spacegroup_symbol": null }
composition-constrained-generation
[ { "content": "Generate a fully relaxed CIF for the following material.\nComposition: LiLaBi2\n\nRequirements:\n1. Use <think> tags to reason through lattice parameters and atomic positions.\n2. Use <answer> tags to provide the final CIF string.\n", "role": "user" } ]
{"composition": "LiLaBi2", "spacegroup_symbol": null, "spacegroup_number": null}
{ "composition": "LiLaBi2", "spacegroup_number": null, "spacegroup_symbol": null }
composition-constrained-generation
[ { "content": "Generate a fully relaxed CIF for the following material.\nComposition: CrAgO2\n\nRequirements:\n1. Use <think> tags to reason through lattice parameters and atomic positions.\n2. Use <answer> tags to provide the final CIF string.\n", "role": "user" } ]
{"composition": "CrAgO2", "spacegroup_symbol": null, "spacegroup_number": null}
{ "composition": "CrAgO2", "spacegroup_number": null, "spacegroup_symbol": null }
composition-constrained-generation
[ { "content": "Generate a fully relaxed CIF for the following material.\nComposition: HfIr\n\nRequirements:\n1. Use <think> tags to reason through lattice parameters and atomic positions.\n2. Use <answer> tags to provide the final CIF string.\n", "role": "user" } ]
{"composition": "HfIr", "spacegroup_symbol": null, "spacegroup_number": null}
{ "composition": "HfIr", "spacegroup_number": null, "spacegroup_symbol": null }
composition-constrained-generation
[ { "content": "Generate a fully relaxed CIF for the following material.\nComposition: WO3\n\nRequirements:\n1. Use <think> tags to reason through lattice parameters and atomic positions.\n2. Use <answer> tags to provide the final CIF string.\n", "role": "user" } ]
{"composition": "WO3", "spacegroup_symbol": null, "spacegroup_number": null}
{ "composition": "WO3", "spacegroup_number": null, "spacegroup_symbol": null }
composition-constrained-generation
[ { "content": "Generate a fully relaxed CIF for the following material.\nComposition: EuZnGe\n\nRequirements:\n1. Use <think> tags to reason through lattice parameters and atomic positions.\n2. Use <answer> tags to provide the final CIF string.\n", "role": "user" } ]
{"composition": "EuZnGe", "spacegroup_symbol": null, "spacegroup_number": null}
{ "composition": "EuZnGe", "spacegroup_number": null, "spacegroup_symbol": null }
composition-constrained-generation
[ { "content": "Generate a fully relaxed CIF for the following material.\nComposition: TaReSi\n\nRequirements:\n1. Use <think> tags to reason through lattice parameters and atomic positions.\n2. Use <answer> tags to provide the final CIF string.\n", "role": "user" } ]
{"composition": "TaReSi", "spacegroup_symbol": null, "spacegroup_number": null}
{ "composition": "TaReSi", "spacegroup_number": null, "spacegroup_symbol": null }
composition-constrained-generation
[ { "content": "Generate a fully relaxed CIF for the following material.\nComposition: DyCoSi\n\nRequirements:\n1. Use <think> tags to reason through lattice parameters and atomic positions.\n2. Use <answer> tags to provide the final CIF string.\n", "role": "user" } ]
{"composition": "DyCoSi", "spacegroup_symbol": null, "spacegroup_number": null}
{ "composition": "DyCoSi", "spacegroup_number": null, "spacegroup_symbol": null }
composition-constrained-generation
[ { "content": "Generate a fully relaxed CIF for the following material.\nComposition: NdAu\n\nRequirements:\n1. Use <think> tags to reason through lattice parameters and atomic positions.\n2. Use <answer> tags to provide the final CIF string.\n", "role": "user" } ]
{"composition": "NdAu", "spacegroup_symbol": null, "spacegroup_number": null}
{ "composition": "NdAu", "spacegroup_number": null, "spacegroup_symbol": null }
composition-constrained-generation
[ { "content": "Generate a fully relaxed CIF for the following material.\nComposition: LiNdHg2\n\nRequirements:\n1. Use <think> tags to reason through lattice parameters and atomic positions.\n2. Use <answer> tags to provide the final CIF string.\n", "role": "user" } ]
{"composition": "LiNdHg2", "spacegroup_symbol": null, "spacegroup_number": null}
{ "composition": "LiNdHg2", "spacegroup_number": null, "spacegroup_symbol": null }
composition-constrained-generation
[ { "content": "Generate a fully relaxed CIF for the following material.\nComposition: Ti2MnRu\n\nRequirements:\n1. Use <think> tags to reason through lattice parameters and atomic positions.\n2. Use <answer> tags to provide the final CIF string.\n", "role": "user" } ]
{"composition": "Ti2MnRu", "spacegroup_symbol": null, "spacegroup_number": null}
{ "composition": "Ti2MnRu", "spacegroup_number": null, "spacegroup_symbol": null }
composition-constrained-generation
[ { "content": "Generate a fully relaxed CIF for the following material.\nComposition: ZnNi3\n\nRequirements:\n1. Use <think> tags to reason through lattice parameters and atomic positions.\n2. Use <answer> tags to provide the final CIF string.\n", "role": "user" } ]
{"composition": "ZnNi3", "spacegroup_symbol": null, "spacegroup_number": null}
{ "composition": "ZnNi3", "spacegroup_number": null, "spacegroup_symbol": null }
composition-constrained-generation
[ { "content": "Generate a fully relaxed CIF for the following material.\nComposition: AlGaN2\n\nRequirements:\n1. Use <think> tags to reason through lattice parameters and atomic positions.\n2. Use <answer> tags to provide the final CIF string.\n", "role": "user" } ]
{"composition": "AlGaN2", "spacegroup_symbol": null, "spacegroup_number": null}
{ "composition": "AlGaN2", "spacegroup_number": null, "spacegroup_symbol": null }
composition-constrained-generation
[ { "content": "Generate a fully relaxed CIF for the following material.\nComposition: MgTl3\n\nRequirements:\n1. Use <think> tags to reason through lattice parameters and atomic positions.\n2. Use <answer> tags to provide the final CIF string.\n", "role": "user" } ]
{"composition": "MgTl3", "spacegroup_symbol": null, "spacegroup_number": null}
{ "composition": "MgTl3", "spacegroup_number": null, "spacegroup_symbol": null }
composition-constrained-generation
[ { "content": "Generate a fully relaxed CIF for the following material.\nComposition: EuIn2Rh\n\nRequirements:\n1. Use <think> tags to reason through lattice parameters and atomic positions.\n2. Use <answer> tags to provide the final CIF string.\n", "role": "user" } ]
{"composition": "EuIn2Rh", "spacegroup_symbol": null, "spacegroup_number": null}
{ "composition": "EuIn2Rh", "spacegroup_number": null, "spacegroup_symbol": null }
composition-constrained-generation
[ { "content": "Generate a fully relaxed CIF for the following material.\nComposition: LiCSN\n\nRequirements:\n1. Use <think> tags to reason through lattice parameters and atomic positions.\n2. Use <answer> tags to provide the final CIF string.\n", "role": "user" } ]
{"composition": "LiCSN", "spacegroup_symbol": null, "spacegroup_number": null}
{ "composition": "LiCSN", "spacegroup_number": null, "spacegroup_symbol": null }
composition-constrained-generation
[ { "content": "Generate a fully relaxed CIF for the following material.\nComposition: GeAu3\n\nRequirements:\n1. Use <think> tags to reason through lattice parameters and atomic positions.\n2. Use <answer> tags to provide the final CIF string.\n", "role": "user" } ]
{"composition": "GeAu3", "spacegroup_symbol": null, "spacegroup_number": null}
{ "composition": "GeAu3", "spacegroup_number": null, "spacegroup_symbol": null }
composition-constrained-generation
[ { "content": "Generate a fully relaxed CIF for the following material.\nComposition: ZrFeMo\n\nRequirements:\n1. Use <think> tags to reason through lattice parameters and atomic positions.\n2. Use <answer> tags to provide the final CIF string.\n", "role": "user" } ]
{"composition": "ZrFeMo", "spacegroup_symbol": null, "spacegroup_number": null}
{ "composition": "ZrFeMo", "spacegroup_number": null, "spacegroup_symbol": null }
composition-constrained-generation
[ { "content": "Generate a fully relaxed CIF for the following material.\nComposition: Ho2NiRu\n\nRequirements:\n1. Use <think> tags to reason through lattice parameters and atomic positions.\n2. Use <answer> tags to provide the final CIF string.\n", "role": "user" } ]
{"composition": "Ho2NiRu", "spacegroup_symbol": null, "spacegroup_number": null}
{ "composition": "Ho2NiRu", "spacegroup_number": null, "spacegroup_symbol": null }
composition-constrained-generation
[ { "content": "Generate a fully relaxed CIF for the following material.\nComposition: Cs\n\nRequirements:\n1. Use <think> tags to reason through lattice parameters and atomic positions.\n2. Use <answer> tags to provide the final CIF string.\n", "role": "user" } ]
{"composition": "Cs", "spacegroup_symbol": null, "spacegroup_number": null}
{ "composition": "Cs", "spacegroup_number": null, "spacegroup_symbol": null }
composition-constrained-generation
[ { "content": "Generate a fully relaxed CIF for the following material.\nComposition: Be3Ir\n\nRequirements:\n1. Use <think> tags to reason through lattice parameters and atomic positions.\n2. Use <answer> tags to provide the final CIF string.\n", "role": "user" } ]
{"composition": "Be3Ir", "spacegroup_symbol": null, "spacegroup_number": null}
{ "composition": "Be3Ir", "spacegroup_number": null, "spacegroup_symbol": null }
composition-constrained-generation
[ { "content": "Generate a fully relaxed CIF for the following material.\nComposition: HoLuCu2\n\nRequirements:\n1. Use <think> tags to reason through lattice parameters and atomic positions.\n2. Use <answer> tags to provide the final CIF string.\n", "role": "user" } ]
{"composition": "HoLuCu2", "spacegroup_symbol": null, "spacegroup_number": null}
{ "composition": "HoLuCu2", "spacegroup_number": null, "spacegroup_symbol": null }
composition-constrained-generation
[ { "content": "Generate a fully relaxed CIF for the following material.\nComposition: Ti2ReTc\n\nRequirements:\n1. Use <think> tags to reason through lattice parameters and atomic positions.\n2. Use <answer> tags to provide the final CIF string.\n", "role": "user" } ]
{"composition": "Ti2ReTc", "spacegroup_symbol": null, "spacegroup_number": null}
{ "composition": "Ti2ReTc", "spacegroup_number": null, "spacegroup_symbol": null }
composition-constrained-generation