mp_id stringlengths 4 38 | elements listlengths 1 10 | atomic_numbers listlengths 1 200 | num_atoms int32 1 200 | num_elements int32 1 10 | fractional_coords listlengths 1 200 | lattice dict | spacegroup_number int32 0 230 | reduced_formula stringlengths 1 24 | tier stringclasses 3 values | is_li_containing bool 2 classes | num_li_atoms int32 0 104 ⌀ | band_gap float32 0 17.9 ⌀ | energy_above_hull float32 0 9.71 ⌀ | formation_energy_per_atom float32 -5.15 8.99 ⌀ | is_metal bool 2 classes | source_tags listlengths 1 5 ⌀ | source stringclasses 4 values |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
tar:OQMD_412562 | [
"Ca",
"Co",
"Cu"
] | [
20,
20,
20,
20,
27,
27,
27,
27,
27,
27,
27,
27,
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29,
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] | 16 | 3 | [
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] | {
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"b": 6.092041969299316,
"c": 6.092041969299316,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | CaCo2Cu | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_412578 | [
"Co",
"Cu",
"Y"
] | [
39,
39,
39,
39,
27,
27,
27,
27,
27,
27,
27,
27,
29,
29,
29,
29
] | 16 | 3 | [
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]
] | {
"a": 6.10085391998291,
"b": 6.10085391998291,
"c": 6.10085391998291,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | YCo2Cu | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_412588 | [
"Al",
"Co",
"Lu"
] | [
71,
71,
71,
71,
13,
13,
13,
13,
27,
27,
27,
27,
27,
27,
27,
27
] | 16 | 3 | [
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0
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]
] | {
"a": 6.101513862609863,
"b": 6.101513862609863,
"c": 6.101513862609863,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | LuAlCo2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_412602 | [
"Co",
"Te",
"La"
] | [
57,
57,
57,
57,
27,
27,
27,
27,
27,
27,
27,
27,
52,
52,
52,
52
] | 16 | 3 | [
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],
[
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]
] | {
"a": 6.651546001434326,
"b": 6.651546001434326,
"c": 6.651546001434326,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | LaCo2Te | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_412617 | [
"Be",
"Al",
"Co"
] | [
4,
4,
4,
4,
13,
13,
13,
13,
27,
27,
27,
27,
27,
27,
27,
27
] | 16 | 3 | [
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0,
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0
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],
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],
[
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]
] | {
"a": 5.448147773742676,
"b": 5.448147773742676,
"c": 5.448147773742676,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | BeAlCo2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_2GIb6ue59y8BW6jYJ1uhKWS6VjVf | [
"Li",
"Co",
"Lu"
] | [
3,
3,
3,
3,
71,
71,
71,
71,
27,
27,
27,
27,
27,
27,
27,
27
] | 16 | 3 | [
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],
[
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0.25,
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],
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]
] | {
"a": 6.071853160858154,
"b": 6.071853160858154,
"c": 6.071853160858154,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | LiLuCo2 | general_inorganic | true | 4 | null | null | null | null | [
"li"
] | external_cif_tar |
tar:NOMAD_VvL5QiYxR7uV4D-lPqPCQV2RosPH | [
"Si",
"Co",
"Ge"
] | [
27,
27,
27,
27,
27,
27,
27,
27,
14,
14,
14,
14,
32,
32,
32,
32
] | 16 | 3 | [
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]
] | {
"a": 5.714990615844727,
"b": 5.714990615844727,
"c": 5.714990615844727,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Co2SiGe | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_Tk1ethjzGiGjHZ9Ndn27jx0ipdQD | [
"Fe",
"Co",
"Th"
] | [
90,
90,
90,
90,
26,
26,
26,
26,
27,
27,
27,
27,
27,
27,
27,
27
] | 16 | 3 | [
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],
[
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]
] | {
"a": 6.2274675369262695,
"b": 6.2274675369262695,
"c": 6.2274675369262695,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | ThFeCo2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_412688 | [
"Co",
"Tb",
"Pb"
] | [
65,
65,
65,
65,
27,
27,
27,
27,
27,
27,
27,
27,
82,
82,
82,
82
] | 16 | 3 | [
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0
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0,
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],
[
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0,
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],
[
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0.5
]
] | {
"a": 6.516808032989502,
"b": 6.516808032989502,
"c": 6.516808032989502,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | TbCo2Pb | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_412705 | [
"Co",
"Zn",
"La"
] | [
57,
57,
57,
57,
30,
30,
30,
30,
27,
27,
27,
27,
27,
27,
27,
27
] | 16 | 3 | [
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],
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],
[
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]
] | {
"a": 6.3410539627075195,
"b": 6.3410539627075195,
"c": 6.3410539627075195,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | LaZnCo2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_lMC3eoNkWSYt9HC4xVjwL3NM1FaZ | [
"Co",
"Hf",
"Pu"
] | [
94,
94,
94,
94,
72,
72,
72,
72,
27,
27,
27,
27,
27,
27,
27,
27
] | 16 | 3 | [
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],
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],
[
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]
] | {
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"b": 6.2747979164123535,
"c": 6.2747979164123535,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | PuHfCo2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_EBJSI1aOnI1MEglbyQzjs2MjqmF- | [
"Co",
"Gd",
"Ir"
] | [
64,
64,
64,
64,
27,
27,
27,
27,
27,
27,
27,
27,
77,
77,
77,
77
] | 16 | 3 | [
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] | {
"a": 6.268665790557861,
"b": 6.268665790557861,
"c": 6.268665790557861,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | GdCo2Ir | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_412757 | [
"Co",
"Te",
"Bi"
] | [
27,
27,
27,
27,
27,
27,
27,
27,
83,
83,
83,
83,
52,
52,
52,
52
] | 16 | 3 | [
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]
] | {
"a": 6.600312232971191,
"b": 6.600312232971191,
"c": 6.600312232971191,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Co2BiTe | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_412775 | [
"Co",
"Tc",
"Au"
] | [
27,
27,
27,
27,
27,
27,
27,
27,
43,
43,
43,
43,
79,
79,
79,
79
] | 16 | 3 | [
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[
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[
0.5,
0,
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],
[
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]
] | {
"a": 5.959164142608643,
"b": 5.959164142608643,
"c": 5.959164142608643,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Co2TcAu | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_412790 | [
"Co",
"W",
"Bi"
] | [
27,
27,
27,
27,
27,
27,
27,
27,
83,
83,
83,
83,
74,
74,
74,
74
] | 16 | 3 | [
[
0.75,
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],
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tar:OQMD_412805 | [
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tar:OQMD_412835 | [
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tar:NOMAD_S_KE9K285OU3eq9xbBMOTjnpqa_z | [
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tar:NOMAD_BqoTUHW8ueZ5vriRqP1XdvdCUjGU | [
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tar:NOMAD_4bhr_5F5bSv2yUxg-H836pgLsL0D | [
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tar:NOMAD_Y2vHYu3kiukVMVkjW2T-Y32UMrjS | [
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} | 225 | TmCo2Ni | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_412904 | [
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tar:OQMD_412921 | [
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tar:NOMAD_3X56c3uF-RHILHlvNs2FJZ1oPVMT | [
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tar:NOMAD_5sqBQieZyXqidV2dWET6DhtgoobG | [
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tar:NOMAD_-ozPw-U7KSo6Yu1W29G_H9Oi_-h8 | [
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} | 225 | CsSrCo2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_412986 | [
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} | 225 | TlCo2Ru | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_413000 | [
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tar:OQMD_413013 | [
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tar:NOMAD__UlV-yNAOlJG2BsNm_nsYit2Cd_T | [
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tar:NOMAD_Y6JG8r8fdwG-dpbHIPfRc-VwAsWI | [
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tar:OQMD_413057 | [
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tar:OQMD_413087 | [
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tar:OQMD_413113 | [
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} | 225 | LiCo2Ag | general_inorganic | true | 4 | null | null | null | null | [
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tar:OQMD_413128 | [
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tar:OQMD_413145 | [
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tar:OQMD_413163 | [
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tar:NOMAD_id-UWgvKclKPgW1xZunHEYrIxEyW | [
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} | 225 | TbTiCo2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_413193 | [
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} | 225 | PrDyCo2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_413208 | [
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27,
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} | 225 | HoMnCo2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_413224 | [
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27,
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27,
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} | 225 | CaUCo2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_413236 | [
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13,
13,
27,
27,
27,
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27,
27,
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} | 225 | YAlCo2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_4BcHSM_zspuExNBFVBC79Wc30q3Y | [
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27,
27,
27,
27,
27,
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} | 225 | LuCo2Ru | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_ZDXiJZRXrpKjyEH3wsMJ8pa4os7- | [
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27,
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} | 225 | AcFeCo2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_413282 | [
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} | 225 | LuCo2Rh | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_413295 | [
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27,
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} | 225 | NaCo2As | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_413310 | [
"Co",
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27,
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} | 225 | LaCo2Ni | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_413325 | [
"Co",
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} | 225 | Co2NiW | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_413339 | [
"Co",
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27,
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27,
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} | 225 | Co2SnPt | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_413353 | [
"Na",
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89,
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27,
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} | 225 | NaAcCo2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_413368 | [
"Co",
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] | [
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73,
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81,
81,
81,
81,
27,
27,
27,
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} | 225 | TaTlCo2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_p9uiJAufedhV6TtjxS_UfNqD2GY4 | [
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93,
93,
27,
27,
27,
27,
27,
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} | 225 | SrNpCo2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_B_w3EPhkRl12Nxye9s-0qJ7DwxYJ | [
"Al",
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13,
13,
13,
27,
27,
27,
27,
27,
27,
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} | 225 | LaAlCo2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_413409 | [
"Co",
"Sb",
"Ba"
] | [
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56,
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56,
27,
27,
27,
27,
27,
27,
27,
27,
51,
51,
51,
51
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] | {
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} | 225 | BaCo2Sb | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_6biQ2q9hN-qq8TGdPN3Hw3gm5NGG | [
"Co",
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] | [
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65,
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68,
68,
68,
68,
27,
27,
27,
27,
27,
27,
27,
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] | {
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"alpha": 90,
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} | 225 | TbErCo2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_413434 | [
"Mg",
"Co",
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] | [
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12,
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12,
27,
27,
27,
27,
27,
27,
27,
27,
80,
80,
80,
80
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] | {
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"alpha": 90,
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} | 225 | MgCo2Hg | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_413446 | [
"Si",
"Co",
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27,
27,
27,
27,
27,
27,
27,
14,
14,
14,
14,
51,
51,
51,
51
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] | {
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"alpha": 90,
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} | 225 | Co2SiSb | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_413459 | [
"Si",
"Co",
"Y"
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14,
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} | 225 | YCo2Si | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_413475 | [
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92,
92,
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27,
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27,
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} | 225 | ScUCo2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_413500 | [
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26,
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27,
27,
27,
27,
27,
27,
27,
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50,
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"alpha": 90,
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} | 225 | FeCo2Sn | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_413516 | [
"Co",
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71,
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71,
27,
27,
27,
27,
27,
27,
27,
27,
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29,
29,
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"alpha": 90,
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} | 225 | LuCo2Cu | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_413530 | [
"Na",
"Mn",
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11,
25,
25,
25,
25,
27,
27,
27,
27,
27,
27,
27,
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} | 225 | NaMnCo2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_rMNEWTszx9voQh7vrE1u55FII51O | [
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27,
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} | 225 | KDyCo2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_Qmlq6HXX6z_qyYeRdN6_d88rx9qC | [
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89,
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27,
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27,
27,
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"alpha": 90,
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} | 225 | CsAcCo2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_413578 | [
"Co",
"Zn",
"Bi"
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30,
30,
30,
27,
27,
27,
27,
27,
27,
27,
27,
83,
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"alpha": 90,
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} | 225 | ZnCo2Bi | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_Nk-rsL2B06tVvzNpP4d7mO_vpug- | [
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69,
69,
69,
27,
27,
27,
27,
27,
27,
27,
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"alpha": 90,
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} | 225 | AcTmCo2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_413610 | [
"Co",
"Zr",
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61,
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61,
40,
40,
40,
40,
27,
27,
27,
27,
27,
27,
27,
27
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} | 225 | PmZrCo2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_s_nEMXgbM3XE-2LN4lKEAayakuQ8 | [
"Co",
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38,
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68,
68,
68,
27,
27,
27,
27,
27,
27,
27,
27
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} | 225 | SrErCo2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_b0Qrew_9pskoofRcelDBSGHO_lLn | [
"Co",
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27,
27,
27,
27,
27,
27,
27,
27,
43,
43,
43,
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] | {
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"alpha": 90,
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} | 225 | TmCo2Tc | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_413650 | [
"Co",
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] | [
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67,
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67,
27,
27,
27,
27,
27,
27,
27,
27,
43,
43,
43,
43
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"alpha": 90,
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} | 225 | HoCo2Tc | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_413665 | [
"Co",
"Ag",
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27,
27,
27,
27,
27,
27,
27,
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47,
47,
47,
51,
51,
51,
51
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} | 225 | Co2AgSb | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_Ij9BCRyz91vSlZe8Luv1BVDkYRY- | [
"Co",
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] | [
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65,
27,
27,
27,
27,
27,
27,
27,
27,
52,
52,
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"alpha": 90,
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} | 225 | TbCo2Te | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_413694 | [
"Co",
"Cu",
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27,
27,
27,
27,
27,
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29,
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} | 225 | CsCo2Cu | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_413707 | [
"Fe",
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27,
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27,
27,
27,
27,
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33,
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"alpha": 90,
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} | 225 | FeCo2As | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_413721 | [
"Mg",
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27,
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"alpha": 90,
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} | 225 | CaMgCo2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_413731 | [
"Al",
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27,
27,
27,
27,
27,
27,
27,
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42,
42,
42,
42
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"alpha": 90,
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} | 225 | AlCo2Mo | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_413744 | [
"Co",
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27,
27,
27,
27,
27,
52,
52,
52,
52,
82,
82,
82,
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"alpha": 90,
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} | 225 | Co2TePb | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_tCvdrQBvlwbOOPdx8tiJGpis3BXd | [
"Fe",
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26,
26,
26,
27,
27,
27,
27,
27,
27,
27,
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"alpha": 90,
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} | 225 | UFeCo2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_413776 | [
"Co",
"Ag",
"Te"
] | [
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27,
27,
27,
27,
27,
27,
27,
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47,
47,
47,
52,
52,
52,
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] | {
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"alpha": 90,
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} | 225 | Co2AgTe | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_WJ4GKg7db7mBvT19zVObx7UWj_8F | [
"Co",
"Th",
"Np"
] | [
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90,
90,
90,
93,
93,
93,
93,
27,
27,
27,
27,
27,
27,
27,
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"alpha": 90,
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} | 225 | ThNpCo2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_413808 | [
"Co",
"Te",
"Dy"
] | [
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66,
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66,
27,
27,
27,
27,
27,
27,
27,
27,
52,
52,
52,
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"alpha": 90,
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} | 225 | DyCo2Te | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_413821 | [
"Co",
"W",
"Pb"
] | [
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27,
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27,
27,
27,
27,
27,
82,
82,
82,
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74,
74,
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} | 225 | Co2PbW | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_413836 | [
"Sc",
"Co",
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] | [
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21,
21,
21,
21,
27,
27,
27,
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27,
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"alpha": 90,
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} | 225 | AcScCo2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_3-0AY3jg9_dOzAimIBk9RsT_1obM | [
"Sc",
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21,
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21,
21,
27,
27,
27,
27,
27,
27,
27,
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"alpha": 90,
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} | 225 | PuScCo2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_413860 | [
"Co",
"Sn",
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] | [
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90,
90,
90,
27,
27,
27,
27,
27,
27,
27,
27,
50,
50,
50,
50
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] | {
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"alpha": 90,
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} | 225 | ThCo2Sn | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_naXZPew-JYQ0fu6hWzpgYBBZHOhl | [
"Co",
"Ba",
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62,
62,
62,
62,
27,
27,
27,
27,
27,
27,
27,
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] | {
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"alpha": 90,
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} | 225 | BaSmCo2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_413896 | [
"Co",
"Au",
"Bi"
] | [
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27,
27,
27,
27,
27,
27,
27,
83,
83,
83,
83,
79,
79,
79,
79
] | 16 | 3 | [
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[
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[
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0.25,
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[
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[
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[
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[
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[
0,
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0
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[
0.5,
0,
0
],
[
0.5,
0.5,
0.5
]
] | {
"a": 6.340548038482666,
"b": 6.340548038482666,
"c": 6.340548038482666,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Co2BiAu | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_413913 | [
"B",
"Co",
"Th"
] | [
90,
90,
90,
90,
27,
27,
27,
27,
27,
27,
27,
27,
5,
5,
5,
5
] | 16 | 3 | [
[
0,
0,
0
],
[
0,
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[
0.5,
0,
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[
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] | {
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"b": 6.138175964355469,
"c": 6.138175964355469,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | ThCo2B | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_VmQilnk038lO_7mgDoodxgwXeJI6 | [
"Co",
"Sm",
"Ir"
] | [
62,
62,
62,
62,
27,
27,
27,
27,
27,
27,
27,
27,
77,
77,
77,
77
] | 16 | 3 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
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[
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],
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[
0,
0.5,
0
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[
0.5,
0,
0
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[
0.5,
0.5,
0.5
]
] | {
"a": 6.308963298797607,
"b": 6.308963298797607,
"c": 6.308963298797607,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | SmCo2Ir | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_413942 | [
"B",
"Cr",
"Co"
] | [
24,
24,
24,
24,
27,
27,
27,
27,
27,
27,
27,
27,
5,
5,
5,
5
] | 16 | 3 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
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[
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],
[
0.25,
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[
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0.25
],
[
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],
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],
[
0.75,
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0.25
],
[
0.75,
0.25,
0.75
],
[
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0.75
],
[
0,
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[
0,
0.5,
0
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[
0.5,
0,
0
],
[
0.5,
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0.5
]
] | {
"a": 5.363450050354004,
"b": 5.363450050354004,
"c": 5.363450050354004,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | CrCo2B | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD__gFgdGYluwWiu1lw8PUQs5AN2pZW | [
"Co",
"Mo",
"U"
] | [
92,
92,
92,
92,
27,
27,
27,
27,
27,
27,
27,
27,
42,
42,
42,
42
] | 16 | 3 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
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],
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],
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0.25
],
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],
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0,
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0,
0
],
[
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]
] | {
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"b": 6.156955242156982,
"c": 6.156955242156982,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | UCo2Mo | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_ywCnQRcsohgM7zqmK2wGC8pL-axr | [
"Co",
"Nb",
"Pa"
] | [
91,
91,
91,
91,
41,
41,
41,
41,
27,
27,
27,
27,
27,
27,
27,
27
] | 16 | 3 | [
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0,
0,
0
],
[
0,
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0.25,
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],
[
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]
] | {
"a": 6.339431285858154,
"b": 6.339431285858154,
"c": 6.339431285858154,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | PaNbCo2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_413989 | [
"Co",
"Cu",
"In"
] | [
49,
49,
49,
49,
27,
27,
27,
27,
27,
27,
27,
27,
29,
29,
29,
29
] | 16 | 3 | [
[
0,
0,
0
],
[
0,
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0.5
],
[
0.5,
0,
0.5
],
[
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],
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[
0,
0.5,
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],
[
0.5,
0,
0
],
[
0.5,
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]
] | {
"a": 5.926298141479492,
"b": 5.926298141479492,
"c": 5.926298141479492,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | InCo2Cu | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_414002 | [
"Fe",
"Co",
"Nb"
] | [
41,
41,
41,
41,
26,
26,
26,
26,
27,
27,
27,
27,
27,
27,
27,
27
] | 16 | 3 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
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],
[
0,
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],
[
0,
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],
[
0.5,
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],
[
0.5,
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],
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],
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],
[
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0.25
],
[
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],
[
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0.75,
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],
[
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0.25,
0.25
],
[
0.75,
0.25,
0.75
],
[
0.75,
0.75,
0.75
]
] | {
"a": 5.85226583480835,
"b": 5.85226583480835,
"c": 5.85226583480835,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | NbFeCo2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_wFqbpe36YMoBmG9Z42kFzXlWW09z | [
"Co",
"Ni",
"Np"
] | [
93,
93,
93,
93,
27,
27,
27,
27,
27,
27,
27,
27,
28,
28,
28,
28
] | 16 | 3 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0.25,
0.75,
0.75
],
[
0.25,
0.25,
0.75
],
[
0.25,
0.25,
0.25
],
[
0.25,
0.75,
0.25
],
[
0.75,
0.75,
0.25
],
[
0.75,
0.25,
0.25
],
[
0.75,
0.25,
0.75
],
[
0.75,
0.75,
0.75
],
[
0,
0,
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],
[
0,
0.5,
0
],
[
0.5,
0,
0
],
[
0.5,
0.5,
0.5
]
] | {
"a": 5.929185390472412,
"b": 5.929185390472412,
"c": 5.929185390472412,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | NpCo2Ni | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_414038 | [
"Cr",
"Co",
"Yb"
] | [
70,
70,
70,
70,
24,
24,
24,
24,
27,
27,
27,
27,
27,
27,
27,
27
] | 16 | 3 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0.5
],
[
0,
0.5,
0
],
[
0.5,
0,
0
],
[
0.5,
0.5,
0.5
],
[
0.25,
0.75,
0.75
],
[
0.25,
0.25,
0.75
],
[
0.25,
0.25,
0.25
],
[
0.25,
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0.25
],
[
0.75,
0.75,
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],
[
0.75,
0.25,
0.25
],
[
0.75,
0.25,
0.75
],
[
0.75,
0.75,
0.75
]
] | {
"a": 6.029414176940918,
"b": 6.029414176940918,
"c": 6.029414176940918,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | YbCrCo2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_414052 | [
"Co",
"Pd",
"Te"
] | [
27,
27,
27,
27,
27,
27,
27,
27,
52,
52,
52,
52,
46,
46,
46,
46
] | 16 | 3 | [
[
0.25,
0.75,
0.75
],
[
0.25,
0.25,
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],
[
0.25,
0.25,
0.25
],
[
0.25,
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0.25
],
[
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],
[
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],
[
0.75,
0.25,
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],
[
0.75,
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0.75
],
[
0,
0,
0
],
[
0,
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0.5
],
[
0.5,
0,
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],
[
0.5,
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0
],
[
0,
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[
0,
0.5,
0
],
[
0.5,
0,
0
],
[
0.5,
0.5,
0.5
]
] | {
"a": 6.119768142700195,
"b": 6.119768142700195,
"c": 6.119768142700195,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Co2TePd | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_414070 | [
"Li",
"Be",
"Co"
] | [
3,
3,
3,
3,
4,
4,
4,
4,
27,
27,
27,
27,
27,
27,
27,
27
] | 16 | 3 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0.5
],
[
0,
0.5,
0
],
[
0.5,
0,
0
],
[
0.5,
0.5,
0.5
],
[
0.25,
0.75,
0.75
],
[
0.25,
0.25,
0.75
],
[
0.25,
0.25,
0.25
],
[
0.25,
0.75,
0.25
],
[
0.75,
0.75,
0.25
],
[
0.75,
0.25,
0.25
],
[
0.75,
0.25,
0.75
],
[
0.75,
0.75,
0.75
]
] | {
"a": 5.331480026245117,
"b": 5.331480026245117,
"c": 5.331480026245117,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | LiBeCo2 | general_inorganic | true | 4 | null | null | null | null | [
"li"
] | external_cif_tar |
tar:NOMAD_XvKeTYeoq8WyTshyxP3i93_CAs2h | [
"Co",
"Lu",
"Pb"
] | [
71,
71,
71,
71,
27,
27,
27,
27,
27,
27,
27,
27,
82,
82,
82,
82
] | 16 | 3 | [
[
0,
0.5,
0
],
[
0,
0,
0.5
],
[
0.5,
0.5,
0.5
],
[
0.5,
0,
0
],
[
0.75,
0.75,
0.25
],
[
0.25,
0.75,
0.25
],
[
0.75,
0.25,
0.75
],
[
0.25,
0.25,
0.75
],
[
0.25,
0.75,
0.75
],
[
0.75,
0.75,
0.75
],
[
0.25,
0.25,
0.25
],
[
0.75,
0.25,
0.25
],
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] | {
"a": 6.427310943603516,
"b": 6.427310943603516,
"c": 6.427310943603516,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | LuCo2Pb | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
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