prompt listlengths 1 1 | answer stringlengths 74 81 | info dict | task stringclasses 1
value |
|---|---|---|---|
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: H3N\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": "H3N", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "H3N",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: Al2CoRu\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": "Al2CoRu", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "Al2CoRu",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: Pr2MgAl\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": "Pr2MgAl", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "Pr2MgAl",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: LaYZn2\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": "LaYZn2", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "LaYZn2",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: BaCuSeF\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": "BaCuSeF", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "BaCuSeF",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: CeZn2\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": "CeZn2", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "CeZn2",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: FeCoAs\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": "FeCoAs", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "FeCoAs",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: TmMnGe\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": "TmMnGe", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "TmMnGe",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: UCoP2\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": "UCoP2", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "UCoP2",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: KHO\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": "KHO", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "KHO",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: ScGeRh\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": "ScGeRh", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "ScGeRh",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: ZrCoSi\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": "ZrCoSi", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "ZrCoSi",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: LaSe\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": "LaSe", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "LaSe",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: AlIO\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": "AlIO", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "AlIO",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: RbPrSe2\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": "RbPrSe2", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "RbPrSe2",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: He\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": "He", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "He",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: USb2Ru\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": "USb2Ru", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "USb2Ru",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: V3S\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": "V3S", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "V3S",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: BeAlRh2\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": "BeAlRh2", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "BeAlRh2",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: CeBi3\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": "CeBi3", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "CeBi3",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: TbAu\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": "TbAu", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "TbAu",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: Ac2AgIr\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": "Ac2AgIr", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "Ac2AgIr",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: Rb2O\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": "Rb2O", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "Rb2O",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: LaAu\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": "LaAu", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "LaAu",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: LaYZn2\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": "LaYZn2", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "LaYZn2",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: MgScHg2\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": "MgScHg2", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "MgScHg2",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: KTmO2\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": "KTmO2", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "KTmO2",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: Li2GaPt\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": "Li2GaPt", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "Li2GaPt",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: Si2Ir\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": "Si2Ir", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "Si2Ir",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: CuS\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": "CuS", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "CuS",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: ZrAsIr\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": "ZrAsIr", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "ZrAsIr",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: TbYNi2\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": "TbYNi2", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "TbYNi2",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: Er2AgIr\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": "Er2AgIr", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "Er2AgIr",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: TcIr3\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": "TcIr3", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "TcIr3",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: MnSe\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": "MnSe", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "MnSe",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: LaMg3\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": "LaMg3", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "LaMg3",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: Nd2ZnGa\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": "Nd2ZnGa", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "Nd2ZnGa",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: NpAs2\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": "NpAs2", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "NpAs2",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: HoLuMg2\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": "HoLuMg2", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "HoLuMg2",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: PmHoCu2\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": "PmHoCu2", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "PmHoCu2",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: Li2MgAg\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": "Li2MgAg", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "Li2MgAg",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: AcTlAu2\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": "AcTlAu2", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "AcTlAu2",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: LiSnIr2\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": "LiSnIr2", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "LiSnIr2",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: TaSnRh\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": "TaSnRh", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "TaSnRh",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: Zr3Cd\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": "Zr3Cd", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "Zr3Cd",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: Zn3Cd\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": "Zn3Cd", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "Zn3Cd",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: YbDyRh2\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": "YbDyRh2", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "YbDyRh2",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: MoPd3\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": "MoPd3", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "MoPd3",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: Mg2Ga\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": "Mg2Ga", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "Mg2Ga",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: MgSbPd\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": "MgSbPd", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "MgSbPd",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: TmAu\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": "TmAu", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "TmAu",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: CaDyZn2\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": "CaDyZn2", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "CaDyZn2",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: ThSi\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": "ThSi", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "ThSi",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: ErTmZn2\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": "ErTmZn2", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "ErTmZn2",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: HfTeSe\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": "HfTeSe", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "HfTeSe",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: NbCoTe2\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": "NbCoTe2", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "NbCoTe2",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: MgAuO2\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": "MgAuO2", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "MgAuO2",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: Pm3Pr\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": "Pm3Pr", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "Pm3Pr",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: PrDy3\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": "PrDy3", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "PrDy3",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: NbNi3\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": "NbNi3", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "NbNi3",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: PdAu3\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": "PdAu3", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "PdAu3",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: Li2AcTl\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": "Li2AcTl", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "Li2AcTl",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: EuPb\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": "EuPb", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "EuPb",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: Te2Ir\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": "Te2Ir", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "Te2Ir",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: BiPd\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": "BiPd", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "BiPd",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: EuAgAs\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": "EuAgAs", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "EuAgAs",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: SmYTl2\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": "SmYTl2", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "SmYTl2",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: NiS\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": "NiS", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "NiS",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: ZrCoP\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": "ZrCoP", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "ZrCoP",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: LuRh2\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": "LuRh2", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "LuRh2",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: CsN3\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": "CsN3", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "CsN3",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: CoMoP\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": "CoMoP", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "CoMoP",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: YSc\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": "YSc", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "YSc",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: TiZnRh2\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": "TiZnRh2", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "TiZnRh2",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: LuHO2\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": "LuHO2", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "LuHO2",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: YFe2\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": "YFe2", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "YFe2",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: ThAu3\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": "ThAu3", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "ThAu3",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: UGePt\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": "UGePt", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "UGePt",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: HoPPd\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": "HoPPd", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "HoPPd",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: YCBr\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": "YCBr", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "YCBr",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: MnBr2\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": "MnBr2", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "MnBr2",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: ErSbIr\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": "ErSbIr", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "ErSbIr",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: Lu2CoRu\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": "Lu2CoRu", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "Lu2CoRu",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: Dy3Al\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": "Dy3Al", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "Dy3Al",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: MgCdTe2\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": "MgCdTe2", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "MgCdTe2",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: HoIO\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": "HoIO", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "HoIO",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: LiFeO2\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": "LiFeO2", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "LiFeO2",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: MoN\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": "MoN", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "MoN",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: LaZnSbO\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": "LaZnSbO", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "LaZnSbO",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: MgGa\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": "MgGa", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "MgGa",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: Pu2SbAu\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": "Pu2SbAu", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "Pu2SbAu",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: HoTiGe\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": "HoTiGe", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "HoTiGe",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: YErMg2\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": "YErMg2", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "YErMg2",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: GdCoSi\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": "GdCoSi", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "GdCoSi",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: PmEr3\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": "PmEr3", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "PmEr3",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: MgAgAu2\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": "MgAgAu2", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "MgAgAu2",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: TbH3\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": "TbH3", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "TbH3",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: PrErIn2\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": "PrErIn2", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "PrErIn2",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: CoIr\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": "CoIr", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "CoIr",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
[
{
"content": "Generate a fully relaxed CIF for the following material.\nComposition: Nb2ReTc\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": "Nb2ReTc", "spacegroup_symbol": null, "spacegroup_number": null} | {
"composition": "Nb2ReTc",
"spacegroup_number": null,
"spacegroup_symbol": null
} | composition-constrained-generation |
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