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_387633 | [
"Cr",
"W",
"Pa"
] | [
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91,
91,
91,
24,
24,
24,
24,
24,
24,
24,
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] | {
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"b": 6.339126110076904,
"c": 6.339126110076904,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | PaCr2W | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_XozFGzrN3F0CKuUqqOGVQJbRsLt8 | [
"K",
"Cr",
"Ta"
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73,
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24,
24,
24,
24,
24,
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] | 16 | 3 | [
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]
] | {
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"b": 6.748577117919922,
"c": 6.748577117919922,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | KTaCr2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_46MaevV9yDBke-Fsaw9zC-JXXy1a | [
"Cr",
"Tc",
"Pa"
] | [
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91,
91,
91,
24,
24,
24,
24,
24,
24,
24,
24,
43,
43,
43,
43
] | 16 | 3 | [
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] | {
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"b": 6.272791862487793,
"c": 6.272791862487793,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | PaCr2Tc | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_387678 | [
"Li",
"Cr",
"Zn"
] | [
3,
3,
3,
3,
30,
30,
30,
30,
24,
24,
24,
24,
24,
24,
24,
24
] | 16 | 3 | [
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] | {
"a": 6.160024166107178,
"b": 6.160024166107178,
"c": 6.160024166107178,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | LiZnCr2 | general_inorganic | true | 4 | null | null | null | null | [
"li"
] | external_cif_tar |
tar:OQMD_387687 | [
"Cr",
"Os",
"Ac"
] | [
89,
89,
89,
89,
24,
24,
24,
24,
24,
24,
24,
24,
76,
76,
76,
76
] | 16 | 3 | [
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] | {
"a": 6.434760093688965,
"b": 6.434760093688965,
"c": 6.434760093688965,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | AcCr2Os | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_wMpsIJGoRsxaY6v0k_iby4PWQs_k | [
"Cr",
"Cs",
"Yb"
] | [
55,
55,
55,
55,
70,
70,
70,
70,
24,
24,
24,
24,
24,
24,
24,
24
] | 16 | 3 | [
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] | {
"a": 8.155949592590332,
"b": 8.155949592590332,
"c": 8.155949592590332,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | CsYbCr2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_387715 | [
"Cr",
"Y",
"Pu"
] | [
39,
39,
39,
39,
94,
94,
94,
94,
24,
24,
24,
24,
24,
24,
24,
24
] | 16 | 3 | [
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0
],
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] | {
"a": 6.53835391998291,
"b": 6.53835391998291,
"c": 6.53835391998291,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | YPuCr2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_Wrm4uRc3bQL5XVnY4WRk8I3luC_R | [
"Cr",
"Nd",
"U"
] | [
60,
60,
60,
60,
92,
92,
92,
92,
24,
24,
24,
24,
24,
24,
24,
24
] | 16 | 3 | [
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] | {
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"b": 6.933095932006836,
"c": 6.933095932006836,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | NdUCr2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_AbUZVE_qZWZNhdpgHx9kdKlV1TEa | [
"K",
"Cr",
"Yb"
] | [
19,
19,
19,
19,
70,
70,
70,
70,
24,
24,
24,
24,
24,
24,
24,
24
] | 16 | 3 | [
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] | {
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"b": 7.935007572174072,
"c": 7.935007572174072,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | KYbCr2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_387763 | [
"V",
"Cr",
"Re"
] | [
23,
23,
23,
23,
24,
24,
24,
24,
24,
24,
24,
24,
75,
75,
75,
75
] | 16 | 3 | [
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] | {
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"c": 5.855443954467773,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | VCr2Re | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_387772 | [
"Cr",
"Lu",
"Pa"
] | [
71,
71,
71,
71,
91,
91,
91,
91,
24,
24,
24,
24,
24,
24,
24,
24
] | 16 | 3 | [
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] | {
"a": 6.727496147155762,
"b": 6.727496147155762,
"c": 6.727496147155762,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | LuPaCr2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_ppXKI-d_su32EzWZx0VnmB2sPR-n | [
"Cr",
"Zn",
"Eu"
] | [
63,
63,
63,
63,
30,
30,
30,
30,
24,
24,
24,
24,
24,
24,
24,
24
] | 16 | 3 | [
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] | {
"a": 6.71580171585083,
"b": 6.71580171585083,
"c": 6.71580171585083,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | EuZnCr2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_387799 | [
"Ti",
"Cr",
"Sm"
] | [
62,
62,
62,
62,
22,
22,
22,
22,
24,
24,
24,
24,
24,
24,
24,
24
] | 16 | 3 | [
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] | {
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"b": 6.581074237823486,
"c": 6.581074237823486,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | SmTiCr2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_387818 | [
"Cr",
"Nb",
"Ru"
] | [
41,
41,
41,
41,
24,
24,
24,
24,
24,
24,
24,
24,
44,
44,
44,
44
] | 16 | 3 | [
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] | {
"a": 6.01823616027832,
"b": 6.01823616027832,
"c": 6.01823616027832,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | NbCr2Ru | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_aahZqfXmSR8cyV8SYIlVakMFkl6w | [
"Cr",
"Nd",
"Hg"
] | [
60,
60,
60,
60,
24,
24,
24,
24,
24,
24,
24,
24,
80,
80,
80,
80
] | 16 | 3 | [
[
0,
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"alpha": 90,
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} | 225 | NdCr2Hg | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_387847 | [
"Cr",
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} | 225 | NbCr2Cd | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_387862 | [
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} | 225 | BaCr2Pb | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_387879 | [
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} | 225 | HoNbCr2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_387894 | [
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} | 225 | EuCr2Cd | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_387912 | [
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} | 225 | ScCr2Cd | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_387924 | [
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} | 225 | ScBeCr2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_387939 | [
"Cr",
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} | 225 | SmGdCr2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_387955 | [
"Li",
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24,
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24,
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} | 225 | LiCr2Re | general_inorganic | true | 4 | null | null | null | null | [
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] | external_cif_tar |
tar:OQMD_387983 | [
"Cr",
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"alpha": 90,
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} | 225 | ZrTlCr2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_387997 | [
"Si",
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24,
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27,
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} | 225 | Cr2CoSi | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_BuoBEaMlVukht-1GEzUAMumeJjEq | [
"Cr",
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} | 225 | HoCr2Bi | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_388029 | [
"Cr",
"Tc",
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24,
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24,
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43,
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} | 225 | LuCr2Tc | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_388044 | [
"Cr",
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24,
24,
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} | 225 | GdCr2Co | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_388062 | [
"Cr",
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} | 225 | Cr2HgSb | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_388073 | [
"Cr",
"Cd",
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} | 225 | Cr2CdSn | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_388083 | [
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} | 225 | HoCr2Tc | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_388094 | [
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} | 225 | ErCr2Re | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_388113 | [
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} | 225 | LiCr2In | general_inorganic | true | 4 | null | null | null | null | [
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] | external_cif_tar |
tar:OQMD_388128 | [
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} | 225 | TiCr2Bi | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_388145 | [
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} | 225 | TaCr2Sb | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_388168 | [
"Cr",
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24,
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} | 225 | ErUCr2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_388188 | [
"Be",
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24,
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} | 225 | PaBeCr2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_388199 | [
"Sc",
"Cr",
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24,
24,
24,
24,
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"alpha": 90,
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} | 225 | ScCr2Tc | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_388211 | [
"Cr",
"Zn",
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} | 225 | ZnCr2Cd | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_EZe_ZBSSZs8cVSCbyJRkDj1SUyIG | [
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} | 225 | NdCr2Tc | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_388236 | [
"Na",
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} | 225 | NaCr2Hg | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_388249 | [
"Cr",
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50,
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} | 225 | Cr2SnSb | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_zwKkf5Vb2nzdutw2UPh2Wf-Bd2kI | [
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"alpha": 90,
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} | 225 | BaErCr2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_388280 | [
"Cr",
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} | 225 | Cr2HgW | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_t3qzCCeMSXR6If4gyX_AHDSxgJTJ | [
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} | 225 | NaNdCr2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_388309 | [
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} | 225 | NdEuCr2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_388325 | [
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} | 225 | AcCr2Pd | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_388341 | [
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13,
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24,
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} | 225 | ZrAlCr2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_388356 | [
"Cr",
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24,
24,
24,
24,
24,
24,
24,
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} | 225 | TmCr2Re | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_388370 | [
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"Y",
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24,
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} | 225 | BaYCr2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_Rre--XCebgCuDpfsZDgLooL6w2WK | [
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24,
24,
24,
24,
24,
24,
24,
24,
82,
82,
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"alpha": 90,
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} | 225 | YbCr2Pb | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_BnAfivMmGgNdVzCb5kJ_o38yA3f8 | [
"Al",
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] | [
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24,
24,
24,
24,
24,
24,
24,
24,
76,
76,
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} | 225 | AlCr2Os | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_b4pxqjxpPxuqQYwOBJ9U4hdU4GG2 | [
"Cr",
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24,
24,
24,
24,
24,
24,
24,
76,
76,
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] | {
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"alpha": 90,
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} | 225 | RbCr2Os | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_Ym2-tAL-JA6qOPbOfdJweSHlPVwu | [
"Cr",
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] | [
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62,
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62,
24,
24,
24,
24,
24,
24,
24,
24,
29,
29,
29,
29
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"alpha": 90,
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} | 225 | SmCr2Cu | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_388445 | [
"Na",
"Cr",
"La"
] | [
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11,
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11,
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57,
57,
24,
24,
24,
24,
24,
24,
24,
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] | {
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"alpha": 90,
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} | 225 | NaLaCr2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_dwyfSjKoMxuhKGYTSP9j8xPzL3if | [
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] | [
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55,
23,
23,
23,
23,
24,
24,
24,
24,
24,
24,
24,
24
] | 16 | 3 | [
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] | {
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"alpha": 90,
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} | 225 | CsVCr2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_388470 | [
"Cr",
"Co",
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24,
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24,
24,
24,
24,
24,
27,
27,
27,
27,
44,
44,
44,
44
] | 16 | 3 | [
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] | {
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"alpha": 90,
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} | 225 | Cr2CoRu | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_388483 | [
"Cr",
"Bi",
"Ac"
] | [
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89,
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89,
24,
24,
24,
24,
24,
24,
24,
24,
83,
83,
83,
83
] | 16 | 3 | [
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] | {
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"alpha": 90,
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} | 225 | AcCr2Bi | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_388492 | [
"B",
"Si",
"Cr"
] | [
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24,
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24,
24,
24,
24,
24,
14,
14,
14,
14,
5,
5,
5,
5
] | 16 | 3 | [
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tar:OQMD_388506 | [
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tar:OQMD_388534 | [
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tar:OQMD_388552 | [
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tar:OQMD_388563 | [
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tar:OQMD_388575 | [
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tar:NOMAD_P4yZoAtSw0PsICJ9vX0wkOPGjUCy | [
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tar:OQMD_388607 | [
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tar:OQMD_388623 | [
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tar:OQMD_388638 | [
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tar:NOMAD_75TUMOp3mRbO9vjDlgE3nRI3LeBg | [
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tar:NOMAD_4mcM2Vwn1f5h2_IQr1KKiTRGiOza | [
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tar:OQMD_388685 | [
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} | 225 | Cr2TePt | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_388703 | [
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} | 225 | Cr2BiPt | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_388717 | [
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tar:NOMAD_HiiknQERa4isQ4-4lJnJfFlBM64z | [
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tar:NOMAD_Lpr228ewyIsNWmIUclpRmCxPh8Rx | [
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} | 225 | GdCr2Mo | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_388756 | [
"V",
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tar:OQMD_388770 | [
"In",
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} | 225 | Pr2SmIn | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_388783 | [
"Cr",
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} | 225 | Pr2CrCu | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_388796 | [
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} | 225 | RbPr2Ge | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_388809 | [
"Pr",
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64,
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} | 225 | Pr2GdPu | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_388823 | [
"Rb",
"Zr",
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37,
59,
59,
59,
59,
59,
59,
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40,
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} | 225 | RbPr2Zr | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_388835 | [
"Cu",
"Pr",
"Os"
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59,
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29,
29,
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} | 225 | Pr2CuOs | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_388849 | [
"Pr",
"Gd",
"Tm"
] | [
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59,
59,
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59,
64,
64,
64,
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69,
69,
69,
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} | 225 | Pr2GdTm | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_388865 | [
"Mg",
"Pr",
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] | [
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59,
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59,
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12,
12,
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82,
82,
82,
82
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"alpha": 90,
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} | 225 | Pr2MgPb | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_388879 | [
"Pr",
"Ho",
"Tm"
] | [
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59,
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59,
59,
59,
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67,
67,
67,
67,
69,
69,
69,
69
] | 16 | 3 | [
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"alpha": 90,
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} | 225 | Pr2HoTm | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_388894 | [
"Ti",
"Pr",
"Au"
] | [
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59,
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59,
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59,
59,
22,
22,
22,
22,
79,
79,
79,
79
] | 16 | 3 | [
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] | {
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"alpha": 90,
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} | 225 | Pr2TiAu | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_388913 | [
"Pr",
"Yb",
"Ac"
] | [
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89,
89,
89,
70,
70,
70,
70,
59,
59,
59,
59,
59,
59,
59,
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] | 16 | 3 | [
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[
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[
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] | {
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"c": 8.518879890441895,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | AcYbPr2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_388925 | [
"K",
"Pr",
"Pt"
] | [
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19,
19,
19,
59,
59,
59,
59,
59,
59,
59,
59,
78,
78,
78,
78
] | 16 | 3 | [
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"alpha": 90,
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} | 225 | KPr2Pt | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_388939 | [
"Be",
"B",
"Pr"
] | [
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59,
59,
59,
59,
59,
59,
59,
4,
4,
4,
4,
5,
5,
5,
5
] | 16 | 3 | [
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[
0.5,
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[
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] | {
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"alpha": 90,
"beta": 90,
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} | 225 | Pr2BeB | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_388957 | [
"Ni",
"Ce",
"Pr"
] | [
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58,
58,
58,
59,
59,
59,
59,
59,
59,
59,
59,
28,
28,
28,
28
] | 16 | 3 | [
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0
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[
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] | {
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"alpha": 90,
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} | 225 | CePr2Ni | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_388974 | [
"V",
"Mo",
"Pr"
] | [
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59,
59,
59,
59,
59,
59,
59,
23,
23,
23,
23,
42,
42,
42,
42
] | 16 | 3 | [
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[
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[
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] | {
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"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Pr2VMo | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_388984 | [
"Sr",
"Zr",
"Pr"
] | [
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38,
38,
38,
59,
59,
59,
59,
59,
59,
59,
59,
40,
40,
40,
40
] | 16 | 3 | [
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] | {
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"alpha": 90,
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} | 225 | SrPr2Zr | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_388997 | [
"Na",
"Pr",
"Tb"
] | [
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11,
11,
11,
65,
65,
65,
65,
59,
59,
59,
59,
59,
59,
59,
59
] | 16 | 3 | [
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] | {
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"b": 8.11596393585205,
"c": 8.11596393585205,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | NaTbPr2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_389011 | [
"Ba",
"Pr",
"Th"
] | [
56,
56,
56,
56,
59,
59,
59,
59,
59,
59,
59,
59,
90,
90,
90,
90
] | 16 | 3 | [
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0
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[
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[
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[
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],
[
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[
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[
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0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] | {
"a": 8.53159236907959,
"b": 8.53159236907959,
"c": 8.53159236907959,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | BaPr2Th | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_389025 | [
"Ge",
"Pr",
"U"
] | [
59,
59,
59,
59,
59,
59,
59,
59,
92,
92,
92,
92,
32,
32,
32,
32
] | 16 | 3 | [
[
0.25,
0.75,
0.75
],
[
0.25,
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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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],
[
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],
[
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0
],
[
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],
[
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[
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[
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[
0,
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0
],
[
0.5,
0,
0
],
[
0.5,
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0.5
]
] | {
"a": 7.57902193069458,
"b": 7.57902193069458,
"c": 7.57902193069458,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Pr2UGe | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_389041 | [
"Pr",
"Gd",
"Pb"
] | [
59,
59,
59,
59,
59,
59,
59,
59,
64,
64,
64,
64,
82,
82,
82,
82
] | 16 | 3 | [
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],
[
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[
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[
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[
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[
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[
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[
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[
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[
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[
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[
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],
[
0.5,
0,
0.5
],
[
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0.5,
0
]
] | {
"a": 7.91918420791626,
"b": 7.91918420791626,
"c": 7.91918420791626,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Pr2GdPb | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_389073 | [
"Cs",
"Pr",
"Np"
] | [
55,
55,
55,
55,
59,
59,
59,
59,
59,
59,
59,
59,
93,
93,
93,
93
] | 16 | 3 | [
[
0,
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],
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0.5
],
[
0.5,
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],
[
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],
[
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],
[
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[
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[
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],
[
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],
[
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] | {
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"c": 8.531782150268555,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | CsPr2Np | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_389088 | [
"Si",
"In",
"Pr"
] | [
59,
59,
59,
59,
59,
59,
59,
59,
49,
49,
49,
49,
14,
14,
14,
14
] | 16 | 3 | [
[
0.75,
0.75,
0.25
],
[
0.25,
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],
[
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[
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],
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[
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],
[
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[
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[
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[
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[
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[
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[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] | {
"a": 7.573577880859375,
"b": 7.573577880859375,
"c": 7.573577880859375,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Pr2InSi | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_389102 | [
"Cs",
"Pr",
"Pu"
] | [
55,
55,
55,
55,
59,
59,
59,
59,
59,
59,
59,
59,
94,
94,
94,
94
] | 16 | 3 | [
[
0,
0.5,
0
],
[
0,
0,
0.5
],
[
0.5,
0.5,
0.5
],
[
0.5,
0,
0
],
[
0.75,
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],
[
0.25,
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0.25
],
[
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],
[
0.25,
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],
[
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],
[
0.75,
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],
[
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],
[
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[
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0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] | {
"a": 8.556378364562988,
"b": 8.556378364562988,
"c": 8.556378364562988,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | CsPr2Pu | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
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