action_type stringclasses 13
values | problem_id stringlengths 36 36 | mp_id stringlengths 6 10 | action_prompt stringlengths 39 448 | input stringlengths 1.11k 8.33k | output stringlengths 595 61.6k |
|---|---|---|---|---|---|
InsertBetweenAtomsAction | 5fc00486-74ec-4974-8953-0146b63208c7 | mp-1105260 | Insert a Kr atom in the line between atoms at indices 10 and 13, and the inserted atom must be 2.67 angstrom from atom at 10 in the cif file. | data_image0
_chemical_formula_structural Tb8In2Ge8Rh2
_chemical_formula_sum "Tb8 In2 Ge8 Rh2"
_cell_length_a 10.44400831
_cell_length_b 10.444008309999997
_cell_length_c 10.37373357
_cell_angle_alpha 75.29995745
_cell_angle_beta 75.29995745
_cell_angle_gamma 23.63367846000... | data_image0
_chemical_formula_structural Tb8In2Ge8Rh2Kr
_chemical_formula_sum "Tb8 In2 Ge8 Rh2 Kr1"
_cell_length_a 10.44400831
_cell_length_b 10.444008309999997
_cell_length_c 10.37373357
_cell_angle_alpha 75.29995745
_cell_angle_beta 75.29995745
_cell_angle_gamma 23.63367... |
InsertBetweenAtomsAction | 15733e78-1a45-46f8-8e31-60f94eea408f | mp-1173893 | Insert a Ni atom in the line between atoms at indices 7 and 11, and the inserted atom must be 1.46 angstrom from atom at 7 in the cif file. | data_image0
_chemical_formula_structural Li4Mn2Co2O8
_chemical_formula_sum "Li4 Mn2 Co2 O8"
_cell_length_a 2.920526
_cell_length_b 6.60737649
_cell_length_c 7.89451648
_cell_angle_alpha 88.82980695
_cell_angle_beta 100.65433203
_cell_angle_gamma 77.23435797
_space_group_n... | data_image0
_chemical_formula_structural Li4Mn2Co2O8Ni
_chemical_formula_sum "Li4 Mn2 Co2 O8 Ni1"
_cell_length_a 2.920526
_cell_length_b 6.60737649
_cell_length_c 7.89451648
_cell_angle_alpha 88.82980695
_cell_angle_beta 100.65433203
_cell_angle_gamma 77.23435797
_space_g... |
InsertBetweenAtomsAction | 5f0f882a-9d70-4df3-bb55-5237b8ff7fef | mp-9563 | Insert a Si atom in the line between atoms at indices 17 and 8, and the inserted atom must be 0.66 angstrom from atom at 17 in the cif file. | data_image0
_chemical_formula_structural Li12Sb6
_chemical_formula_sum "Li12 Sb6"
_cell_length_a 7.95140499
_cell_length_b 7.9514049899999995
_cell_length_c 6.568351
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000822000001
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural Li12Sb6Si
_chemical_formula_sum "Li12 Sb6 Si1"
_cell_length_a 7.95140499
_cell_length_b 7.9514049899999995
_cell_length_c 6.568351
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000822000001
_space_group_name_... |
InsertBetweenAtomsAction | 45762193-31c6-4e5f-81de-d236acc71ebe | mp-707732 | Insert a As atom in the line between atoms at indices 35 and 23, and the inserted atom must be 1.59 angstrom from atom at 35 in the cif file. | data_image0
_chemical_formula_structural Na4ZnP6H12O24
_chemical_formula_sum "Na4 Zn1 P6 H12 O24"
_cell_length_a 7.356004
_cell_length_b 9.31164289
_cell_length_c 9.54838386
_cell_angle_alpha 65.6011162
_cell_angle_beta 74.88099345
_cell_angle_gamma 71.92320563999999
_spa... | data_image0
_chemical_formula_structural Na4ZnP6H12O24As
_chemical_formula_sum "Na4 Zn1 P6 H12 O24 As1"
_cell_length_a 7.356004
_cell_length_b 9.31164289
_cell_length_c 9.54838386
_cell_angle_alpha 65.6011162
_cell_angle_beta 74.88099345
_cell_angle_gamma 71.92320563999999... |
InsertBetweenAtomsAction | 0337cfd1-ee8d-4c69-85b5-301e56902d63 | mp-1403373 | Insert a Mn atom in the line between atoms at indices 4 and 1, and the inserted atom must be 2.01 angstrom from atom at 4 in the cif file. | data_image0
_chemical_formula_structural La2ZnSbO6
_chemical_formula_sum "La2 Zn1 Sb1 O6"
_cell_length_a 5.77686642
_cell_length_b 5.77686642
_cell_length_c 5.776866339999999
_cell_angle_alpha 61.07135203000001
_cell_angle_beta 61.07135203000001
_cell_angle_gamma 61.071350... | data_image0
_chemical_formula_structural La2ZnSbO6Mn
_chemical_formula_sum "La2 Zn1 Sb1 O6 Mn1"
_cell_length_a 5.77686642
_cell_length_b 5.77686642
_cell_length_c 5.776866339999999
_cell_angle_alpha 61.07135203000001
_cell_angle_beta 61.07135203000001
_cell_angle_gamma 61.... |
InsertBetweenAtomsAction | b30137b7-d3cd-448d-86de-2d4cf1a9904d | mp-1517143 | Insert a Rb atom in the line between atoms at indices 17 and 8, and the inserted atom must be 2.47 angstrom from atom at 17 in the cif file. | data_image0
_chemical_formula_structural Ca2Nd2Eu2Sb2O12
_chemical_formula_sum "Ca2 Nd2 Eu2 Sb2 O12"
_cell_length_a 5.80313197
_cell_length_b 5.97664008
_cell_length_c 8.35689443
_cell_angle_alpha 89.58348116000002
_cell_angle_beta 90.56943828000001
_cell_angle_gamma 89.91... | data_image0
_chemical_formula_structural Ca2Nd2Eu2Sb2O12Rb
_chemical_formula_sum "Ca2 Nd2 Eu2 Sb2 O12 Rb1"
_cell_length_a 5.80313197
_cell_length_b 5.97664008
_cell_length_c 8.35689443
_cell_angle_alpha 89.58348116000002
_cell_angle_beta 90.56943828000001
_cell_angle_gamma ... |
InsertBetweenAtomsAction | a40ddc1a-e311-4259-98f4-c1a58431b644 | mp-752925 | Insert a Hg atom in the line between atoms at indices 4 and 6, and the inserted atom must be 5.07 angstrom from atom at 4 in the cif file. | data_image0
_chemical_formula_structural Li2Fe2Si2O8
_chemical_formula_sum "Li2 Fe2 Si2 O8"
_cell_length_a 4.539481
_cell_length_b 8.599942
_cell_length_c 4.539481999999999
_cell_angle_alpha 90.00000666000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.00000666000001
_spac... | data_image0
_chemical_formula_structural Li2Fe2Si2O8Hg
_chemical_formula_sum "Li2 Fe2 Si2 O8 Hg1"
_cell_length_a 4.539481
_cell_length_b 8.599942
_cell_length_c 4.539481999999999
_cell_angle_alpha 90.00000666000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.00000666000001
... |
InsertBetweenAtomsAction | 0fd5f0a5-b6d0-476b-9341-c62f70ed7df6 | mp-27013 | Insert a S atom in the line between atoms at indices 76 and 12, and the inserted atom must be 9.25 angstrom from atom at 76 in the cif file. | data_image0
_chemical_formula_structural Li18V6P16O58
_chemical_formula_sum "Li18 V6 P16 O58"
_cell_length_a 9.88202638
_cell_length_b 9.882026380000001
_cell_length_c 13.812827
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000257
_space_group_name_... | data_image0
_chemical_formula_structural Li18V6P16O58S
_chemical_formula_sum "Li18 V6 P16 O58 S1"
_cell_length_a 9.88202638
_cell_length_b 9.882026380000001
_cell_length_c 13.812827
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000257
_space_group_n... |
InsertBetweenAtomsAction | 35521e2a-6a69-4661-9c5e-816a01c78c0e | mp-504385 | Insert a Po atom in the line between atoms at indices 34 and 70, and the inserted atom must be 2.94 angstrom from atom at 34 in the cif file. | data_image0
_chemical_formula_structural Li12Fe8P12O48
_chemical_formula_sum "Li12 Fe8 P12 O48"
_cell_length_a 8.799042
_cell_length_b 8.471914
_cell_length_c 12.30617389
_cell_angle_alpha 87.53286288
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Li12Fe8P12O48Po
_chemical_formula_sum "Li12 Fe8 P12 O48 Po1"
_cell_length_a 8.799042
_cell_length_b 8.471914
_cell_length_c 12.30617389
_cell_angle_alpha 87.53286288
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-... |
InsertBetweenAtomsAction | 5a1d2815-b324-4cea-995e-13b5e8a5e9d2 | mp-1212483 | Insert a Ge atom in the line between atoms at indices 7 and 44, and the inserted atom must be 0.99 angstrom from atom at 7 in the cif file. | data_image0
_chemical_formula_structural Hg16P4H4N4O28
_chemical_formula_sum "Hg16 P4 H4 N4 O28"
_cell_length_a 6.12443421
_cell_length_b 8.318202
_cell_length_c 19.35441814
_cell_angle_alpha 90.0
_cell_angle_beta 91.12338898
_cell_angle_gamma 90.0
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural Hg16P4H4N4O28Ge
_chemical_formula_sum "Hg16 P4 H4 N4 O28 Ge1"
_cell_length_a 6.12443421
_cell_length_b 8.318202
_cell_length_c 19.35441814
_cell_angle_alpha 90.0
_cell_angle_beta 91.12338898
_cell_angle_gamma 90.0
_space_group_name... |
InsertBetweenAtomsAction | fd655482-d8aa-4de3-a337-f04dd3cd6c23 | mp-613 | Insert a Ho atom in the line between atoms at indices 5 and 6, and the inserted atom must be 0.64 angstrom from atom at 5 in the cif file. | data_image0
_chemical_formula_structural Te4Pd6
_chemical_formula_sum "Te4 Pd6"
_cell_length_a 3.89741014
_cell_length_b 6.672860370000001
_cell_length_c 7.98481739
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 106.97979929
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Te4Pd6Ho
_chemical_formula_sum "Te4 Pd6 Ho1"
_cell_length_a 3.89741014
_cell_length_b 6.672860370000001
_cell_length_c 7.98481739
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 106.97979929
_space_group_name_H-M_alt... |
InsertBetweenAtomsAction | bd0d7a05-b6be-4ea5-a88d-a60ff2a7f943 | mp-2217356 | Insert a Bh atom in the line between atoms at indices 6 and 8, and the inserted atom must be 2.69 angstrom from atom at 6 in the cif file. | data_image0
_chemical_formula_structural Ba2YMgBiO6
_chemical_formula_sum "Ba2 Y1 Mg1 Bi1 O6"
_cell_length_a 6.33993301
_cell_length_b 6.339093429999999
_cell_length_c 7.05925237
_cell_angle_alpha 63.47899969000001
_cell_angle_beta 63.31715937
_cell_angle_gamma 59.99561646... | data_image0
_chemical_formula_structural Ba2YMgBiO6Bh
_chemical_formula_sum "Ba2 Y1 Mg1 Bi1 O6 Bh1"
_cell_length_a 6.33993301
_cell_length_b 6.339093429999999
_cell_length_c 7.05925237
_cell_angle_alpha 63.47899969000001
_cell_angle_beta 63.31715937
_cell_angle_gamma 59.99... |
InsertBetweenAtomsAction | de9fcdfe-a777-446a-aeca-4558eb13a1c0 | mp-1044828 | Insert a Fe atom in the line between atoms at indices 6 and 26, and the inserted atom must be 0.60 angstrom from atom at 6 in the cif file. | data_image0
_chemical_formula_structural Ca6Sn12O24
_chemical_formula_sum "Ca6 Sn12 O24"
_cell_length_a 6.90739232
_cell_length_b 6.9073923200000005
_cell_length_c 16.91513194
_cell_angle_alpha 89.50690369
_cell_angle_beta 89.50690369
_cell_angle_gamma 56.98103381
_space_... | data_image0
_chemical_formula_structural Ca6Sn12O24Fe
_chemical_formula_sum "Ca6 Sn12 O24 Fe1"
_cell_length_a 6.90739232
_cell_length_b 6.9073923200000005
_cell_length_c 16.91513194
_cell_angle_alpha 89.50690369
_cell_angle_beta 89.50690369
_cell_angle_gamma 56.98103381
_... |
InsertBetweenAtomsAction | be303d4a-fa9e-4b09-9704-6f555ab1a652 | mp-2218385 | Insert a Cf atom in the line between atoms at indices 3 and 11, and the inserted atom must be 0.42 angstrom from atom at 3 in the cif file. | data_image0
_chemical_formula_structural MgMn4O4F4
_chemical_formula_sum "Mg1 Mn4 O4 F4"
_cell_length_a 5.23107775
_cell_length_b 6.15354861
_cell_length_c 5.17450402
_cell_angle_alpha 86.91425333000001
_cell_angle_beta 83.78431866
_cell_angle_gamma 80.50424442
_space_gro... | data_image0
_chemical_formula_structural MgMn4O4F4Cf
_chemical_formula_sum "Mg1 Mn4 O4 F4 Cf1"
_cell_length_a 5.23107775
_cell_length_b 6.15354861
_cell_length_c 5.17450402
_cell_angle_alpha 86.91425333000001
_cell_angle_beta 83.78431866
_cell_angle_gamma 80.50424442
_spa... |
InsertBetweenAtomsAction | db14586a-a2f0-4887-83f2-2c94c82ba03f | mp-972121 | Insert a Pm atom in the line between atoms at indices 12 and 2, and the inserted atom must be 4.60 angstrom from atom at 12 in the cif file. | data_image0
_chemical_formula_structural TmAl8Cr4
_chemical_formula_sum "Tm1 Al8 Cr4"
_cell_length_a 6.77139271
_cell_length_b 6.77139271
_cell_length_c 6.77139271
_cell_angle_alpha 97.9981911
_cell_angle_beta 97.9981911
_cell_angle_gamma 136.19636589999996
_space_group_n... | data_image0
_chemical_formula_structural TmAl8Cr4Pm
_chemical_formula_sum "Tm1 Al8 Cr4 Pm1"
_cell_length_a 6.77139271
_cell_length_b 6.77139271
_cell_length_c 6.77139271
_cell_angle_alpha 97.9981911
_cell_angle_beta 97.9981911
_cell_angle_gamma 136.19636589999996
_space_g... |
InsertBetweenAtomsAction | 8b1e8699-e70a-420c-9cc2-45fb3645ebd9 | mp-720255 | Insert a Ga atom in the line between atoms at indices 83 and 55, and the inserted atom must be 3.18 angstrom from atom at 83 in the cif file. | data_image0
_chemical_formula_structural Sr20P12ClO48F3
_chemical_formula_sum "Sr20 P12 Cl1 O48 F3"
_cell_length_a 7.359952
_cell_length_b 9.90469101
_cell_length_c 17.15408517
_cell_angle_alpha 90.00811632999998
_cell_angle_beta 90.00065799
_cell_angle_gamma 90.0023196699... | data_image0
_chemical_formula_structural Sr20P12ClO48F3Ga
_chemical_formula_sum "Sr20 P12 Cl1 O48 F3 Ga1"
_cell_length_a 7.359952
_cell_length_b 9.90469101
_cell_length_c 17.15408517
_cell_angle_alpha 90.00811632999998
_cell_angle_beta 90.00065799
_cell_angle_gamma 90.0023... |
InsertBetweenAtomsAction | 40b69992-2579-4704-b981-95707fd66412 | mp-1210947 | Insert a Th atom in the line between atoms at indices 20 and 14, and the inserted atom must be 3.75 angstrom from atom at 20 in the cif file. | data_image0
_chemical_formula_structural Lu2Ag2W4O16
_chemical_formula_sum "Lu2 Ag2 W4 O16"
_cell_length_a 7.30273406
_cell_length_b 7.302734059999999
_cell_length_c 7.27179264
_cell_angle_alpha 66.0465554
_cell_angle_beta 66.0465554
_cell_angle_gamma 94.31513562
_space_g... | data_image0
_chemical_formula_structural Lu2Ag2W4O16Th
_chemical_formula_sum "Lu2 Ag2 W4 O16 Th1"
_cell_length_a 7.30273406
_cell_length_b 7.302734059999999
_cell_length_c 7.27179264
_cell_angle_alpha 66.0465554
_cell_angle_beta 66.0465554
_cell_angle_gamma 94.31513562
_s... |
InsertBetweenAtomsAction | d2c7aa81-6e7a-4c32-8b7b-f47a8114637e | mp-720430 | Insert a Rf atom in the line between atoms at indices 4 and 37, and the inserted atom must be 3.13 angstrom from atom at 4 in the cif file. | data_image0
_chemical_formula_structural Ca2B6H14O18
_chemical_formula_sum "Ca2 B6 H14 O18"
_cell_length_a 6.522119
_cell_length_b 6.67307652
_cell_length_c 8.43280527
_cell_angle_alpha 86.77136285
_cell_angle_beta 89.31108647
_cell_angle_gamma 78.21790026000001
_space_gr... | data_image0
_chemical_formula_structural Ca2B6H14O18Rf
_chemical_formula_sum "Ca2 B6 H14 O18 Rf1"
_cell_length_a 6.522119
_cell_length_b 6.67307652
_cell_length_c 8.43280527
_cell_angle_alpha 86.77136285
_cell_angle_beta 89.31108647
_cell_angle_gamma 78.21790026000001
_sp... |
InsertBetweenAtomsAction | aa5c5a89-231a-405a-9588-d157f95b547d | mp-1194492 | Insert a Sg atom in the line between atoms at indices 4 and 20, and the inserted atom must be 2.59 angstrom from atom at 4 in the cif file. | data_image0
_chemical_formula_structural Al4Te2S2O18
_chemical_formula_sum "Al4 Te2 S2 O18"
_cell_length_a 9.533672
_cell_length_b 5.032037
_cell_length_c 7.23496088
_cell_angle_alpha 86.72028688999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Al4Te2S2O18Sg
_chemical_formula_sum "Al4 Te2 S2 O18 Sg1"
_cell_length_a 9.533672
_cell_length_b 5.032037
_cell_length_c 7.23496088
_cell_angle_alpha 86.72028688999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H... |
InsertBetweenAtomsAction | 0a67f7cb-89d9-4d20-9f21-a54e053c3fb2 | mp-1518832 | Insert a Ru atom in the line between atoms at indices 3 and 19, and the inserted atom must be 4.69 angstrom from atom at 3 in the cif file. | data_image0
_chemical_formula_structural Ba4Na4Pr4Nb4O24
_chemical_formula_sum "Ba4 Na4 Pr4 Nb4 O24"
_cell_length_a 8.63740882
_cell_length_b 8.61397828
_cell_length_c 8.61377572
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Ba4Na4Pr4Nb4O24Ru
_chemical_formula_sum "Ba4 Na4 Pr4 Nb4 O24 Ru1"
_cell_length_a 8.63740882
_cell_length_b 8.61397828
_cell_length_c 8.61377572
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H... |
InsertBetweenAtomsAction | ef70c156-9e72-4170-8c45-34aed46b66c2 | mp-1223055 | Insert a No atom in the line between atoms at indices 1 and 6, and the inserted atom must be 2.45 angstrom from atom at 1 in the cif file. | data_image0
_chemical_formula_structural La8Mg2Cr6O24
_chemical_formula_sum "La8 Mg2 Cr6 O24"
_cell_length_a 7.86161243
_cell_length_b 7.914223340000001
_cell_length_c 7.87884488
_cell_angle_alpha 89.97539867
_cell_angle_beta 89.95009291
_cell_angle_gamma 89.67831836
_spa... | data_image0
_chemical_formula_structural La8Mg2Cr6O24No
_chemical_formula_sum "La8 Mg2 Cr6 O24 No1"
_cell_length_a 7.86161243
_cell_length_b 7.914223340000001
_cell_length_c 7.87884488
_cell_angle_alpha 89.97539867
_cell_angle_beta 89.95009291
_cell_angle_gamma 89.67831836... |
InsertBetweenAtomsAction | 3343debb-f9f9-4aae-8eda-55c5d66e3f8a | mp-19140 | Insert a Cf atom in the line between atoms at indices 27 and 11, and the inserted atom must be 0.79 angstrom from atom at 27 in the cif file. | data_image0
_chemical_formula_structural K12Mn4O16
_chemical_formula_sum "K12 Mn4 O16"
_cell_length_a 6.49865786
_cell_length_b 10.836143570000003
_cell_length_c 9.493722039999998
_cell_angle_alpha 67.4691507
_cell_angle_beta 89.95728003
_cell_angle_gamma 107.3793927899999... | data_image0
_chemical_formula_structural K12Mn4O16Cf
_chemical_formula_sum "K12 Mn4 O16 Cf1"
_cell_length_a 6.49865786
_cell_length_b 10.836143570000003
_cell_length_c 9.493722039999998
_cell_angle_alpha 67.4691507
_cell_angle_beta 89.95728003
_cell_angle_gamma 107.3793927... |
InsertBetweenAtomsAction | 6d8515e3-df49-46a6-93b8-41dd0aeb1f7f | mp-1205609 | Insert a Ar atom in the line between atoms at indices 4 and 5, and the inserted atom must be 6.16 angstrom from atom at 4 in the cif file. | data_image0
_chemical_formula_structural Pr2P2Os4C2
_chemical_formula_sum "Pr2 P2 Os4 C2"
_cell_length_a 5.87434922
_cell_length_b 5.87434922
_cell_length_c 7.147218
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 140.53883479
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Pr2P2Os4C2Ar
_chemical_formula_sum "Pr2 P2 Os4 C2 Ar1"
_cell_length_a 5.87434922
_cell_length_b 5.87434922
_cell_length_c 7.147218
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 140.53883479
_space_group_name_H-M_al... |
InsertBetweenAtomsAction | 3810003e-aff2-43fb-8183-5552870fc989 | mp-23675 | Insert a Na atom in the line between atoms at indices 4 and 3, and the inserted atom must be 1.66 angstrom from atom at 4 in the cif file. | data_image0
_chemical_formula_structural H8Br2N2
_chemical_formula_sum "H8 Br2 N2"
_cell_length_a 4.10672895
_cell_length_b 5.7148727
_cell_length_c 5.7148727
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_gro... | data_image0
_chemical_formula_structural H8Br2N2Na
_chemical_formula_sum "H8 Br2 N2 Na1"
_cell_length_a 4.10672895
_cell_length_b 5.7148727
_cell_length_c 5.7148727
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... |
InsertBetweenAtomsAction | 1cc877ea-0f55-4321-a6ab-e2c42cf16b0c | mp-780891 | Insert a V atom in the line between atoms at indices 17 and 8, and the inserted atom must be 4.29 angstrom from atom at 17 in the cif file. | data_image0
_chemical_formula_structural Fe8O14F2
_chemical_formula_sum "Fe8 O14 F2"
_cell_length_a 7.19630577
_cell_length_b 7.19630577
_cell_length_c 5.519081169999999
_cell_angle_alpha 71.83725514
_cell_angle_beta 71.83725514
_cell_angle_gamma 80.10399085
_space_group_... | data_image0
_chemical_formula_structural Fe8O14F2V
_chemical_formula_sum "Fe8 O14 F2 V1"
_cell_length_a 7.19630577
_cell_length_b 7.19630577
_cell_length_c 5.519081169999999
_cell_angle_alpha 71.83725514
_cell_angle_beta 71.83725514
_cell_angle_gamma 80.10399085
_space_gr... |
InsertBetweenAtomsAction | 22911e24-7664-4630-ab80-73fb1d72a5a6 | mp-558102 | Insert a Ne atom in the line between atoms at indices 7 and 12, and the inserted atom must be 0.90 angstrom from atom at 7 in the cif file. | data_image0
_chemical_formula_structural K2Li2Si4O10
_chemical_formula_sum "K2 Li2 Si4 O10"
_cell_length_a 4.874509
_cell_length_b 6.0847
_cell_length_c 8.30369295
_cell_angle_alpha 86.56193316
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural K2Li2Si4O10Ne
_chemical_formula_sum "K2 Li2 Si4 O10 Ne1"
_cell_length_a 4.874509
_cell_length_b 6.0847
_cell_length_c 8.30369295
_cell_angle_alpha 86.56193316
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | daaf7105-baf2-4af9-bc2b-2cf7673259c6 | mp-1020147 | Insert a O atom in the line between atoms at indices 53 and 17, and the inserted atom must be 6.76 angstrom from atom at 53 in the cif file. | data_image0
_chemical_formula_structural Na8Mg8P12N4O36
_chemical_formula_sum "Na8 Mg8 P12 N4 O36"
_cell_length_a 9.352436
_cell_length_b 9.352436
_cell_length_c 9.352436
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural Na8Mg8P12N4O37
_chemical_formula_sum "Na8 Mg8 P12 N4 O37"
_cell_length_a 9.352436
_cell_length_b 9.352436
_cell_length_c 9.352436
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
InsertBetweenAtomsAction | 0af2623b-937a-4534-b8fe-dec539d44300 | mp-2217356 | Insert a Cs atom in the line between atoms at indices 5 and 10, and the inserted atom must be 1.16 angstrom from atom at 5 in the cif file. | data_image0
_chemical_formula_structural Ba2YMgBiO6
_chemical_formula_sum "Ba2 Y1 Mg1 Bi1 O6"
_cell_length_a 6.33993301
_cell_length_b 6.339093429999999
_cell_length_c 7.05925237
_cell_angle_alpha 63.47899969000001
_cell_angle_beta 63.31715937
_cell_angle_gamma 59.99561646... | data_image0
_chemical_formula_structural Ba2YMgBiO6Cs
_chemical_formula_sum "Ba2 Y1 Mg1 Bi1 O6 Cs1"
_cell_length_a 6.33993301
_cell_length_b 6.339093429999999
_cell_length_c 7.05925237
_cell_angle_alpha 63.47899969000001
_cell_angle_beta 63.31715937
_cell_angle_gamma 59.99... |
InsertBetweenAtomsAction | 71d76ba1-a890-4588-a9a4-62fab3c40864 | mp-778157 | Insert a Np atom in the line between atoms at indices 18 and 3, and the inserted atom must be 1.13 angstrom from atom at 18 in the cif file. | data_image0
_chemical_formula_structural Fe10O6F14
_chemical_formula_sum "Fe10 O6 F14"
_cell_length_a 4.78456862
_cell_length_b 4.783618090000001
_cell_length_c 15.727625559999998
_cell_angle_alpha 89.83781460999998
_cell_angle_beta 90.05519869
_cell_angle_gamma 90.4524454... | data_image0
_chemical_formula_structural Fe10O6F14Np
_chemical_formula_sum "Fe10 O6 F14 Np1"
_cell_length_a 4.78456862
_cell_length_b 4.783618090000001
_cell_length_c 15.727625559999998
_cell_angle_alpha 89.83781460999998
_cell_angle_beta 90.05519869
_cell_angle_gamma 90.4... |
InsertBetweenAtomsAction | a2596ad8-d979-4771-8b57-80308bba6547 | mp-1191832 | Insert a Gd atom in the line between atoms at indices 19 and 4, and the inserted atom must be 1.14 angstrom from atom at 19 in the cif file. | data_image0
_chemical_formula_structural Na2Mo8O12
_chemical_formula_sum "Na2 Mo8 O12"
_cell_length_a 10.016629
_cell_length_b 10.016629
_cell_length_c 3.26276
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_gr... | data_image0
_chemical_formula_structural Na2Mo8O12Gd
_chemical_formula_sum "Na2 Mo8 O12 Gd1"
_cell_length_a 10.016629
_cell_length_b 10.016629
_cell_length_c 3.26276
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_sp... |
InsertBetweenAtomsAction | c8f18042-218e-4a79-b82e-fc5b550d086f | mp-777349 | Insert a Cu atom in the line between atoms at indices 1 and 4, and the inserted atom must be 2.07 angstrom from atom at 1 in the cif file. | data_image0
_chemical_formula_structural Mn6O6F6
_chemical_formula_sum "Mn6 O6 F6"
_cell_length_a 4.670662
_cell_length_b 5.695413829999999
_cell_length_c 7.77939247
_cell_angle_alpha 85.41131093
_cell_angle_beta 88.01678689999999
_cell_angle_gamma 87.13600728
_space_grou... | data_image0
_chemical_formula_structural Mn6O6F6Cu
_chemical_formula_sum "Mn6 O6 F6 Cu1"
_cell_length_a 4.670662
_cell_length_b 5.695413829999999
_cell_length_c 7.77939247
_cell_angle_alpha 85.41131093
_cell_angle_beta 88.01678689999999
_cell_angle_gamma 87.13600728
_spac... |
InsertBetweenAtomsAction | 60d7f750-60ae-44eb-a1dc-17f1d275290f | mp-1214002 | Insert a Ni atom in the line between atoms at indices 2 and 23, and the inserted atom must be 3.51 angstrom from atom at 2 in the cif file. | data_image0
_chemical_formula_structural Ce3P6Pd20
_chemical_formula_sum "Ce3 P6 Pd20"
_cell_length_a 8.69849863
_cell_length_b 8.69862915
_cell_length_c 8.69743528
_cell_angle_alpha 60.03301289000001
_cell_angle_beta 60.03334011999999
_cell_angle_gamma 60.03013740000001
... | data_image0
_chemical_formula_structural Ce3P6Pd20Ni
_chemical_formula_sum "Ce3 P6 Pd20 Ni1"
_cell_length_a 8.69849863
_cell_length_b 8.69862915
_cell_length_c 8.69743528
_cell_angle_alpha 60.03301289000001
_cell_angle_beta 60.03334011999999
_cell_angle_gamma 60.0301374000... |
InsertBetweenAtomsAction | 77b01959-ebd8-47f0-8c00-1ea2aceb7239 | mp-27772 | Insert a Ru atom in the line between atoms at indices 17 and 20, and the inserted atom must be 1.41 angstrom from atom at 17 in the cif file. | data_image0
_chemical_formula_structural Nb6I16
_chemical_formula_sum "Nb6 I16"
_cell_length_a 15.08258044
_cell_length_b 15.08258044
_cell_length_c 15.08257981
_cell_angle_alpha 29.57353376000001
_cell_angle_beta 29.573533759999997
_cell_angle_gamma 29.57353019999999
_sp... | data_image0
_chemical_formula_structural Nb6I16Ru
_chemical_formula_sum "Nb6 I16 Ru1"
_cell_length_a 15.08258044
_cell_length_b 15.08258044
_cell_length_c 15.08257981
_cell_angle_alpha 29.57353376000001
_cell_angle_beta 29.573533759999997
_cell_angle_gamma 29.5735301999999... |
InsertBetweenAtomsAction | a28f73ed-c405-47f0-ae82-bc8b0de151fd | mp-866812 | Insert a Co atom in the line between atoms at indices 20 and 13, and the inserted atom must be 1.82 angstrom from atom at 20 in the cif file. | data_image0
_chemical_formula_structural U2Ta4S12Cl12O2
_chemical_formula_sum "U2 Ta4 S12 Cl12 O2"
_cell_length_a 6.986233
_cell_length_b 9.6792223
_cell_length_c 12.87159687
_cell_angle_alpha 84.14986946999998
_cell_angle_beta 83.15207639999998
_cell_angle_gamma 88.786650... | data_image0
_chemical_formula_structural U2Ta4S12Cl12O2Co
_chemical_formula_sum "U2 Ta4 S12 Cl12 O2 Co1"
_cell_length_a 6.986233
_cell_length_b 9.6792223
_cell_length_c 12.87159687
_cell_angle_alpha 84.14986946999998
_cell_angle_beta 83.15207639999998
_cell_angle_gamma 88.... |
InsertBetweenAtomsAction | 080dcc85-157a-48e9-b760-7cf662dca19b | mp-753734 | Insert a Ce atom in the line between atoms at indices 0 and 9, and the inserted atom must be 1.56 angstrom from atom at 0 in the cif file. | data_image0
_chemical_formula_structural Mn4Cr2O12
_chemical_formula_sum "Mn4 Cr2 O12"
_cell_length_a 5.07693485
_cell_length_b 5.07693485
_cell_length_c 9.610523
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.19455249
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural Mn4Cr2O12Ce
_chemical_formula_sum "Mn4 Cr2 O12 Ce1"
_cell_length_a 5.07693485
_cell_length_b 5.07693485
_cell_length_c 9.610523
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.19455249
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | 7e8b3607-14e7-4b69-9786-7b97bce428ef | mp-17256 | Insert a Yb atom in the line between atoms at indices 33 and 4, and the inserted atom must be 5.36 angstrom from atom at 33 in the cif file. | data_image0
_chemical_formula_structural Rb4Hf6O2F24
_chemical_formula_sum "Rb4 Hf6 O2 F24"
_cell_length_a 10.8372027
_cell_length_b 10.837202699999999
_cell_length_c 10.83720311
_cell_angle_alpha 41.33193428
_cell_angle_beta 41.33193428
_cell_angle_gamma 41.33193677000000... | data_image0
_chemical_formula_structural Rb4Hf6O2F24Yb
_chemical_formula_sum "Rb4 Hf6 O2 F24 Yb1"
_cell_length_a 10.8372027
_cell_length_b 10.837202699999999
_cell_length_c 10.83720311
_cell_angle_alpha 41.33193428
_cell_angle_beta 41.33193428
_cell_angle_gamma 41.33193677... |
InsertBetweenAtomsAction | 0f086346-c857-4cf2-b84d-3e90fd87a42f | mp-777845 | Insert a Ce atom in the line between atoms at indices 9 and 0, and the inserted atom must be 1.99 angstrom from atom at 9 in the cif file. | data_image0
_chemical_formula_structural Fe6O5F7
_chemical_formula_sum "Fe6 O5 F7"
_cell_length_a 5.666152
_cell_length_b 5.705574750000001
_cell_length_c 7.40923659
_cell_angle_alpha 72.75917785
_cell_angle_beta 71.99228371
_cell_angle_gamma 73.37660293
_space_group_name... | data_image0
_chemical_formula_structural Fe6O5F7Ce
_chemical_formula_sum "Fe6 O5 F7 Ce1"
_cell_length_a 5.666152
_cell_length_b 5.705574750000001
_cell_length_c 7.40923659
_cell_angle_alpha 72.75917785
_cell_angle_beta 71.99228371
_cell_angle_gamma 73.37660293
_space_grou... |
InsertBetweenAtomsAction | 536e175e-8d55-4d24-a8ce-aaf02239e34a | mp-765689 | Insert a Co atom in the line between atoms at indices 12 and 8, and the inserted atom must be 1.74 angstrom from atom at 12 in the cif file. | data_image0
_chemical_formula_structural Li8Co6O4F12
_chemical_formula_sum "Li8 Co6 O4 F12"
_cell_length_a 5.26384155
_cell_length_b 5.94325295
_cell_length_c 10.44901011
_cell_angle_alpha 89.02161268999998
_cell_angle_beta 80.05865371
_cell_angle_gamma 72.16652366999999
... | data_image0
_chemical_formula_structural Li8Co6O4F12Co
_chemical_formula_sum "Li8 Co7 O4 F12"
_cell_length_a 5.26384155
_cell_length_b 5.94325295
_cell_length_c 10.44901011
_cell_angle_alpha 89.02161268999998
_cell_angle_beta 80.05865371
_cell_angle_gamma 72.16652366999999... |
InsertBetweenAtomsAction | 6dcde456-a5e1-41e8-8145-0cac39c0076c | mp-1192677 | Insert a Ag atom in the line between atoms at indices 18 and 12, and the inserted atom must be 2.87 angstrom from atom at 18 in the cif file. | data_image0
_chemical_formula_structural Cs4Pr6OsI13
_chemical_formula_sum "Cs4 Pr6 Os1 I13"
_cell_length_a 10.15150394
_cell_length_b 10.151503939999998
_cell_length_c 12.56262411
_cell_angle_alpha 68.93186197999998
_cell_angle_beta 68.93186198
_cell_angle_gamma 87.734935... | data_image0
_chemical_formula_structural Cs4Pr6OsI13Ag
_chemical_formula_sum "Cs4 Pr6 Os1 I13 Ag1"
_cell_length_a 10.15150394
_cell_length_b 10.151503939999998
_cell_length_c 12.56262411
_cell_angle_alpha 68.93186197999998
_cell_angle_beta 68.93186198
_cell_angle_gamma 87.... |
InsertBetweenAtomsAction | a0b7cc5d-ac70-4e64-8bce-359122bbe1d0 | mp-1336779 | Insert a Ra atom in the line between atoms at indices 17 and 61, and the inserted atom must be 2.28 angstrom from atom at 17 in the cif file. | data_image0
_chemical_formula_structural Lu20Fe10S40
_chemical_formula_sum "Lu20 Fe10 S40"
_cell_length_a 7.560596
_cell_length_b 7.682109979999999
_cell_length_c 31.038779590000004
_cell_angle_alpha 96.46261670999999
_cell_angle_beta 90.21349288999998
_cell_angle_gamma 11... | data_image0
_chemical_formula_structural Lu20Fe10S40Ra
_chemical_formula_sum "Lu20 Fe10 S40 Ra1"
_cell_length_a 7.560596
_cell_length_b 7.682109979999999
_cell_length_c 31.038779590000004
_cell_angle_alpha 96.46261670999999
_cell_angle_beta 90.21349288999998
_cell_angle_gamma... |
InsertBetweenAtomsAction | 581b40a2-496c-4653-b03c-806043ecacdf | mp-1200075 | Insert a Xe atom in the line between atoms at indices 28 and 26, and the inserted atom must be 3.08 angstrom from atom at 28 in the cif file. | data_image0
_chemical_formula_structural H26Pt2C6N6Cl4O2
_chemical_formula_sum "H26 Pt2 C6 N6 Cl4 O2"
_cell_length_a 6.42302
_cell_length_b 7.24643047
_cell_length_c 12.074872770000002
_cell_angle_alpha 105.79134456
_cell_angle_beta 96.57896163
_cell_angle_gamma 98.6523140... | data_image0
_chemical_formula_structural H26Pt2C6N6Cl4O2Xe
_chemical_formula_sum "H26 Pt2 C6 N6 Cl4 O2 Xe1"
_cell_length_a 6.42302
_cell_length_b 7.24643047
_cell_length_c 12.074872770000002
_cell_angle_alpha 105.79134456
_cell_angle_beta 96.57896163
_cell_angle_gamma 98.6... |
InsertBetweenAtomsAction | d2aef213-6d7e-44ae-9ae2-2acbe82ae149 | mp-28684 | Insert a Mo atom in the line between atoms at indices 18 and 86, and the inserted atom must be 0.94 angstrom from atom at 18 in the cif file. | data_image0
_chemical_formula_structural Sb14Se16F70
_chemical_formula_sum "Sb14 Se16 F70"
_cell_length_a 13.914392
_cell_length_b 11.419592
_cell_length_c 15.91966876
_cell_angle_alpha 47.748210029999996
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Sb14Se16F70Mo
_chemical_formula_sum "Sb14 Se16 F70 Mo1"
_cell_length_a 13.914392
_cell_length_b 11.419592
_cell_length_c 15.91966876
_cell_angle_alpha 47.748210029999996
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_nam... |
InsertBetweenAtomsAction | 1a2a0ecc-44fb-49af-b9b5-b8f547d1e9cf | mp-2228398 | Insert a Tl atom in the line between atoms at indices 10 and 18, and the inserted atom must be 1.20 angstrom from atom at 10 in the cif file. | data_image0
_chemical_formula_structural MgCo6O9F3
_chemical_formula_sum "Mg1 Co6 O9 F3"
_cell_length_a 4.96812265
_cell_length_b 4.97965833
_cell_length_c 8.61320675
_cell_angle_alpha 89.06827837
_cell_angle_beta 91.67215628
_cell_angle_gamma 102.36653829000001
_space_gr... | data_image0
_chemical_formula_structural MgCo6O9F3Tl
_chemical_formula_sum "Mg1 Co6 O9 F3 Tl1"
_cell_length_a 4.96812265
_cell_length_b 4.97965833
_cell_length_c 8.61320675
_cell_angle_alpha 89.06827837
_cell_angle_beta 91.67215628
_cell_angle_gamma 102.36653829000001
_sp... |
InsertBetweenAtomsAction | 70668aa8-2663-493b-be06-c23cfc267fc4 | mp-1095109 | Insert a Nh atom in the line between atoms at indices 6 and 2, and the inserted atom must be 7.04 angstrom from atom at 6 in the cif file. | data_image0
_chemical_formula_structural Ba2BiIrO6
_chemical_formula_sum "Ba2 Bi1 Ir1 O6"
_cell_length_a 6.07830403
_cell_length_b 6.07830403
_cell_length_c 6.078304029999999
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.9999... | data_image0
_chemical_formula_structural Ba2BiIrO6Nh
_chemical_formula_sum "Ba2 Bi1 Ir1 O6 Nh1"
_cell_length_a 6.07830403
_cell_length_b 6.07830403
_cell_length_c 6.078304029999999
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 5... |
InsertBetweenAtomsAction | 109e6817-f04b-4dcd-b1e5-3f25f9a73a33 | mp-1226415 | Insert a Yb atom in the line between atoms at indices 23 and 21, and the inserted atom must be 3.39 angstrom from atom at 23 in the cif file. | data_image0
_chemical_formula_structural Co4Mo4O19
_chemical_formula_sum "Co4 Mo4 O19"
_cell_length_a 6.872225
_cell_length_b 6.94423398
_cell_length_c 9.42774129
_cell_angle_alpha 76.97480465
_cell_angle_beta 81.31897182
_cell_angle_gamma 74.9666926
_space_group_name_H-M... | data_image0
_chemical_formula_structural Co4Mo4O19Yb
_chemical_formula_sum "Co4 Mo4 O19 Yb1"
_cell_length_a 6.872225
_cell_length_b 6.94423398
_cell_length_c 9.42774129
_cell_angle_alpha 76.97480465
_cell_angle_beta 81.31897182
_cell_angle_gamma 74.9666926
_space_group_na... |
InsertBetweenAtomsAction | 6c440207-2c4a-4548-9c18-8e7035a88da3 | mp-603241 | Insert a Pa atom in the line between atoms at indices 44 and 62, and the inserted atom must be 1.35 angstrom from atom at 44 in the cif file. | data_image0
_chemical_formula_structural Ba4Fe4Si16O40
_chemical_formula_sum "Ba4 Fe4 Si16 O40"
_cell_length_a 10.88788597
_cell_length_b 10.88786546
_cell_length_c 11.1371523
_cell_angle_alpha 60.73805768
_cell_angle_beta 119.26190498999999
_cell_angle_gamma 89.99986976
... | data_image0
_chemical_formula_structural Ba4Fe4Si16O40Pa
_chemical_formula_sum "Ba4 Fe4 Si16 O40 Pa1"
_cell_length_a 10.88788597
_cell_length_b 10.88786546
_cell_length_c 11.1371523
_cell_angle_alpha 60.73805768
_cell_angle_beta 119.26190498999999
_cell_angle_gamma 89.9998... |
InsertBetweenAtomsAction | 8fbd2ccf-1f4e-4822-870b-b7be03d78811 | mp-561286 | Insert a Fl atom in the line between atoms at indices 38 and 13, and the inserted atom must be 0.73 angstrom from atom at 38 in the cif file. | data_image0
_chemical_formula_structural Zn20S20
_chemical_formula_sum "Zn20 S20"
_cell_length_a 3.80866991
_cell_length_b 3.8086698999999995
_cell_length_c 62.26385349
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999998999999
_space_group_name_H-M... | data_image0
_chemical_formula_structural Zn20S20Fl
_chemical_formula_sum "Zn20 S20 Fl1"
_cell_length_a 3.80866991
_cell_length_b 3.8086698999999995
_cell_length_c 62.26385349
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999998999999
_space_group_na... |
InsertBetweenAtomsAction | 20e59ec3-4444-4edb-8ded-76453c7d741f | mp-27197 | Insert a Hg atom in the line between atoms at indices 3 and 13, and the inserted atom must be 1.90 angstrom from atom at 3 in the cif file. | data_image0
_chemical_formula_structural Na8As4O14
_chemical_formula_sum "Na8 As4 O14"
_cell_length_a 5.84356663
_cell_length_b 5.843566630000001
_cell_length_c 12.222710270000002
_cell_angle_alpha 88.52213325999999
_cell_angle_beta 88.52213325999999
_cell_angle_gamma 118.... | data_image0
_chemical_formula_structural Na8As4O14Hg
_chemical_formula_sum "Na8 As4 O14 Hg1"
_cell_length_a 5.84356663
_cell_length_b 5.843566630000001
_cell_length_c 12.222710270000002
_cell_angle_alpha 88.52213325999999
_cell_angle_beta 88.52213325999999
_cell_angle_gamma ... |
InsertBetweenAtomsAction | fee8d703-7b8c-4d52-b61a-42e969d56f5e | mp-1210214 | Insert a Db atom in the line between atoms at indices 4 and 12, and the inserted atom must be 1.88 angstrom from atom at 4 in the cif file. | data_image0
_chemical_formula_structural Na2Nb4Bi4O18
_chemical_formula_sum "Na2 Nb4 Bi4 O18"
_cell_length_a 5.58523
_cell_length_b 5.675994
_cell_length_c 12.54198163
_cell_angle_alpha 90.0
_cell_angle_beta 102.86539251
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Na2Nb4Bi4O18Db
_chemical_formula_sum "Na2 Nb4 Bi4 O18 Db1"
_cell_length_a 5.58523
_cell_length_b 5.675994
_cell_length_c 12.54198163
_cell_angle_alpha 90.0
_cell_angle_beta 102.86539251
_cell_angle_gamma 90.0
_space_group_name_H-M_... |
InsertBetweenAtomsAction | 95bae0ab-ef40-4f4d-abfd-08bde92b246f | mp-690490 | Insert a Gd atom in the line between atoms at indices 21 and 3, and the inserted atom must be 4.36 angstrom from atom at 21 in the cif file. | data_image0
_chemical_formula_structural Ti4V4O16
_chemical_formula_sum "Ti4 V4 O16"
_cell_length_a 3.003347
_cell_length_b 6.46329963
_cell_length_c 12.9995939
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_g... | data_image0
_chemical_formula_structural Ti4V4O16Gd
_chemical_formula_sum "Ti4 V4 O16 Gd1"
_cell_length_a 3.003347
_cell_length_b 6.46329963
_cell_length_c 12.9995939
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_s... |
InsertBetweenAtomsAction | c9055ac7-fee1-42b5-be43-86e80cf3a2f3 | mp-510 | Insert a Pa atom in the line between atoms at indices 1 and 46, and the inserted atom must be 11.66 angstrom from atom at 1 in the cif file. | data_image0
_chemical_formula_structural Ta16O32
_chemical_formula_sum "Ta16 O32"
_cell_length_a 10.22760131
_cell_length_b 10.22760131
_cell_length_c 10.22760131
_cell_angle_alpha 94.97482101
_cell_angle_beta 94.97482101
_cell_angle_gamma 145.74738884999996
_space_group_... | data_image0
_chemical_formula_structural Ta16O32Pa
_chemical_formula_sum "Ta16 O32 Pa1"
_cell_length_a 10.22760131
_cell_length_b 10.22760131
_cell_length_c 10.22760131
_cell_angle_alpha 94.97482101
_cell_angle_beta 94.97482101
_cell_angle_gamma 145.74738884999996
_space_... |
InsertBetweenAtomsAction | 96da3e8d-5e5d-42d0-9089-57a00ad8ca3e | mp-667336 | Insert a Sb atom in the line between atoms at indices 44 and 15, and the inserted atom must be 6.44 angstrom from atom at 44 in the cif file. | data_image0
_chemical_formula_structural Cs16Zr12Te64
_chemical_formula_sum "Cs16 Zr12 Te64"
_cell_length_a 19.784849
_cell_length_b 12.217208
_cell_length_c 17.97604476
_cell_angle_alpha 60.070154949999996
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-... | data_image0
_chemical_formula_structural Cs16Zr12Te64Sb
_chemical_formula_sum "Cs16 Zr12 Te64 Sb1"
_cell_length_a 19.784849
_cell_length_b 12.217208
_cell_length_c 17.97604476
_cell_angle_alpha 60.070154949999996
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_n... |
InsertBetweenAtomsAction | 735312ee-ea0d-4d93-b4b9-90b1b0114b85 | mp-795772 | Insert a Rn atom in the line between atoms at indices 1 and 11, and the inserted atom must be 3.94 angstrom from atom at 1 in the cif file. | data_image0
_chemical_formula_structural Rb10Co4O8
_chemical_formula_sum "Rb10 Co4 O8"
_cell_length_a 7.061377
_cell_length_b 9.32316657
_cell_length_c 9.725491290000003
_cell_angle_alpha 118.05706487
_cell_angle_beta 89.66912512
_cell_angle_gamma 108.44379706000001
_spac... | data_image0
_chemical_formula_structural Rb10Co4O8Rn
_chemical_formula_sum "Rb10 Co4 O8 Rn1"
_cell_length_a 7.061377
_cell_length_b 9.32316657
_cell_length_c 9.725491290000003
_cell_angle_alpha 118.05706487
_cell_angle_beta 89.66912512
_cell_angle_gamma 108.44379706000001
... |
InsertBetweenAtomsAction | 4643cec2-303f-482a-8b9c-2dabd1657258 | mp-568534 | Insert a Tb atom in the line between atoms at indices 27 and 16, and the inserted atom must be 3.14 angstrom from atom at 27 in the cif file. | data_image0
_chemical_formula_structural P16C8Se12N8
_chemical_formula_sum "P16 C8 Se12 N8"
_cell_length_a 6.853759
_cell_length_b 12.511679
_cell_length_c 14.24437576
_cell_angle_alpha 72.46563389
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural P16C8Se12N8Tb
_chemical_formula_sum "P16 C8 Se12 N8 Tb1"
_cell_length_a 6.853759
_cell_length_b 12.511679
_cell_length_c 14.24437576
_cell_angle_alpha 72.46563389
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_a... |
InsertBetweenAtomsAction | 3d060428-9f35-4836-b19a-c0b0d13b1d88 | mp-1229207 | Insert a In atom in the line between atoms at indices 25 and 26, and the inserted atom must be 3.98 angstrom from atom at 25 in the cif file. | data_image0
_chemical_formula_structural Al4Si8O24
_chemical_formula_sum "Al4 Si8 O24"
_cell_length_a 9.563469
_cell_length_b 9.57905997
_cell_length_c 9.71377535
_cell_angle_alpha 94.47840969
_cell_angle_beta 95.04810756999998
_cell_angle_gamma 94.63304470999998
_space_g... | data_image0
_chemical_formula_structural Al4Si8O24In
_chemical_formula_sum "Al4 Si8 O24 In1"
_cell_length_a 9.563469
_cell_length_b 9.57905997
_cell_length_c 9.71377535
_cell_angle_alpha 94.47840969
_cell_angle_beta 95.04810756999998
_cell_angle_gamma 94.63304470999998
_s... |
InsertBetweenAtomsAction | 08cc1b8d-eef8-4d2e-ae21-95feaf4d463a | mp-1173764 | Insert a Ti atom in the line between atoms at indices 9 and 35, and the inserted atom must be 1.41 angstrom from atom at 9 in the cif file. | data_image0
_chemical_formula_structural Na5Ce3Ti6Nb2O24
_chemical_formula_sum "Na5 Ce3 Ti6 Nb2 O24"
_cell_length_a 5.53853843
_cell_length_b 5.51219945
_cell_length_c 15.52114946
_cell_angle_alpha 89.94664857
_cell_angle_beta 90.00032967
_cell_angle_gamma 90.0447047100000... | data_image0
_chemical_formula_structural Na5Ce3Ti6Nb2O24Ti
_chemical_formula_sum "Na5 Ce3 Ti7 Nb2 O24"
_cell_length_a 5.53853843
_cell_length_b 5.51219945
_cell_length_c 15.52114946
_cell_angle_alpha 89.94664857
_cell_angle_beta 90.00032967
_cell_angle_gamma 90.04470471000... |
InsertBetweenAtomsAction | 955a1188-1920-4be2-ae7e-048bbfdcf513 | mp-1219521 | Insert a La atom in the line between atoms at indices 6 and 9, and the inserted atom must be 2.50 angstrom from atom at 6 in the cif file. | data_image0
_chemical_formula_structural Sb4As4Ir4
_chemical_formula_sum "Sb4 As4 Ir4"
_cell_length_a 6.398697
_cell_length_b 6.4034486
_cell_length_c 6.55434184
_cell_angle_alpha 114.09464444
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... | data_image0
_chemical_formula_structural Sb4As4Ir4La
_chemical_formula_sum "Sb4 As4 Ir4 La1"
_cell_length_a 6.398697
_cell_length_b 6.4034486
_cell_length_c 6.55434184
_cell_angle_alpha 114.09464444
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | 1bddf32a-42f2-4663-a828-beaeceb47381 | mp-1246932 | Insert a Bk atom in the line between atoms at indices 40 and 15, and the inserted atom must be 5.38 angstrom from atom at 40 in the cif file. | data_image0
_chemical_formula_structural Ba28Hf4N24
_chemical_formula_sum "Ba28 Hf4 N24"
_cell_length_a 12.513275
_cell_length_b 7.275755
_cell_length_c 14.957083
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space... | data_image0
_chemical_formula_structural Ba28Hf4N24Bk
_chemical_formula_sum "Ba28 Hf4 N24 Bk1"
_cell_length_a 12.513275
_cell_length_b 7.275755
_cell_length_c 14.957083
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... |
InsertBetweenAtomsAction | 7d0fac4c-2292-4a90-946a-83b9d0c136c0 | mp-18398 | Insert a U atom in the line between atoms at indices 27 and 17, and the inserted atom must be 1.84 angstrom from atom at 27 in the cif file. | data_image0
_chemical_formula_structural Cs2V6Te4O24
_chemical_formula_sum "Cs2 V6 Te4 O24"
_cell_length_a 7.27519056
_cell_length_b 7.27519056
_cell_length_c 11.869581
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000506
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Cs2V6Te4O24U
_chemical_formula_sum "Cs2 V6 Te4 O24 U1"
_cell_length_a 7.27519056
_cell_length_b 7.27519056
_cell_length_c 11.869581
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000506
_space_group_name_H-M_a... |
InsertBetweenAtomsAction | d5306bd3-743f-4103-bc69-f53d13ba488a | mp-984755 | Insert a Pb atom in the line between atoms at indices 29 and 18, and the inserted atom must be 5.41 angstrom from atom at 29 in the cif file. | data_image0
_chemical_formula_structural Nb8Ag4O22
_chemical_formula_sum "Nb8 Ag4 O22"
_cell_length_a 13.2430866
_cell_length_b 13.243086600000002
_cell_length_c 13.24308617
_cell_angle_alpha 27.34979933000001
_cell_angle_beta 27.349799329999986
_cell_angle_gamma 27.349797... | data_image0
_chemical_formula_structural Nb8Ag4O22Pb
_chemical_formula_sum "Nb8 Ag4 O22 Pb1"
_cell_length_a 13.2430866
_cell_length_b 13.243086600000002
_cell_length_c 13.24308617
_cell_angle_alpha 27.34979933000001
_cell_angle_beta 27.349799329999986
_cell_angle_gamma 27.... |
InsertBetweenAtomsAction | 40137047-bdbb-4168-b822-d6d8531d9668 | mp-2321 | Insert a Er atom in the line between atoms at indices 5 and 14, and the inserted atom must be 3.20 angstrom from atom at 5 in the cif file. | data_image0
_chemical_formula_structural Tb6Ge10
_chemical_formula_sum "Tb6 Ge10"
_cell_length_a 5.7646017
_cell_length_b 7.46210898
_cell_length_c 9.12937743
_cell_angle_alpha 82.99785231
_cell_angle_beta 71.59589664
_cell_angle_gamma 67.28637543
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural Tb6Ge10Er
_chemical_formula_sum "Tb6 Ge10 Er1"
_cell_length_a 5.7646017
_cell_length_b 7.46210898
_cell_length_c 9.12937743
_cell_angle_alpha 82.99785231
_cell_angle_beta 71.59589664
_cell_angle_gamma 67.28637543
_space_group_name_... |
InsertBetweenAtomsAction | 5509e00b-9c02-45c6-8fab-8fa04447a561 | mp-1176767 | Insert a Ag atom in the line between atoms at indices 70 and 82, and the inserted atom must be 1.33 angstrom from atom at 70 in the cif file. | data_image0
_chemical_formula_structural Li12Cu12P12O48
_chemical_formula_sum "Li12 Cu12 P12 O48"
_cell_length_a 18.617069
_cell_length_b 5.65504
_cell_length_c 8.472034
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... | data_image0
_chemical_formula_structural Li12Cu12P12O48Ag
_chemical_formula_sum "Li12 Cu12 P12 O48 Ag1"
_cell_length_a 18.617069
_cell_length_b 5.65504
_cell_length_c 8.472034
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | eeb21410-2828-469b-ab9d-ab7da8a57e6b | mp-1094347 | Insert a Cd atom in the line between atoms at indices 2 and 6, and the inserted atom must be 0.99 angstrom from atom at 2 in the cif file. | data_image0
_chemical_formula_structural Mg6Ti6
_chemical_formula_sum "Mg6 Ti6"
_cell_length_a 4.882673
_cell_length_b 5.098113
_cell_length_c 9.429558
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_group_IT_n... | data_image0
_chemical_formula_structural Mg6Ti6Cd
_chemical_formula_sum "Mg6 Ti6 Cd1"
_cell_length_a 4.882673
_cell_length_b 5.098113
_cell_length_c 9.429558
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_grou... |
InsertBetweenAtomsAction | 4d44158c-37b3-47a1-a558-58fce032591e | mp-1215043 | Insert a Nb atom in the line between atoms at indices 74 and 49, and the inserted atom must be 3.63 angstrom from atom at 74 in the cif file. | data_image0
_chemical_formula_structural Ca6Al12O72
_chemical_formula_sum "Ca6 Al12 O72"
_cell_length_a 16.0686127
_cell_length_b 16.0686127
_cell_length_c 9.065298
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000286999999
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Ca6Al12O72Nb
_chemical_formula_sum "Ca6 Al12 O72 Nb1"
_cell_length_a 16.0686127
_cell_length_b 16.0686127
_cell_length_c 9.065298
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000286999999
_space_group_name_H... |
InsertBetweenAtomsAction | f74b6da0-507f-4a2a-b51d-ab253f2fb0c7 | mp-27888 | Insert a Rg atom in the line between atoms at indices 4 and 0, and the inserted atom must be 2.07 angstrom from atom at 4 in the cif file. | data_image0
_chemical_formula_structural Zr3GeO8
_chemical_formula_sum "Zr3 Ge1 O8"
_cell_length_a 5.01459289
_cell_length_b 5.01458845
_cell_length_c 6.33418319
_cell_angle_alpha 113.31969382
_cell_angle_beta 113.32013782
_cell_angle_gamma 90.00120143000001
_space_group_... | data_image0
_chemical_formula_structural Zr3GeO8Rg
_chemical_formula_sum "Zr3 Ge1 O8 Rg1"
_cell_length_a 5.01459289
_cell_length_b 5.01458845
_cell_length_c 6.33418319
_cell_angle_alpha 113.31969382
_cell_angle_beta 113.32013782
_cell_angle_gamma 90.00120143000001
_space_... |
InsertBetweenAtomsAction | d09dd3b2-fd9f-4b02-a1f5-0431106bb622 | mp-28535 | Insert a F atom in the line between atoms at indices 5 and 16, and the inserted atom must be 1.23 angstrom from atom at 5 in the cif file. | data_image0
_chemical_formula_structural Ca4Se6O16
_chemical_formula_sum "Ca4 Se6 O16"
_cell_length_a 5.52447697
_cell_length_b 8.23968812
_cell_length_c 8.72755108
_cell_angle_alpha 92.60643704000002
_cell_angle_beta 95.99909062
_cell_angle_gamma 97.21121254
_space_group... | data_image0
_chemical_formula_structural Ca4Se6O16F
_chemical_formula_sum "Ca4 Se6 O16 F1"
_cell_length_a 5.52447697
_cell_length_b 8.23968812
_cell_length_c 8.72755108
_cell_angle_alpha 92.60643704000002
_cell_angle_beta 95.99909062
_cell_angle_gamma 97.21121254
_space_g... |
InsertBetweenAtomsAction | b44b401a-d549-4fed-83d3-608431871e9a | mp-556061 | Insert a Tl atom in the line between atoms at indices 46 and 36, and the inserted atom must be 4.35 angstrom from atom at 46 in the cif file. | data_image0
_chemical_formula_structural Cs4Sb8F44
_chemical_formula_sum "Cs4 Sb8 F44"
_cell_length_a 14.12716114
_cell_length_b 7.66997476
_cell_length_c 9.43926264
_cell_angle_alpha 65.52848727
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Cs4Sb8F44Tl
_chemical_formula_sum "Cs4 Sb8 F44 Tl1"
_cell_length_a 14.12716114
_cell_length_b 7.66997476
_cell_length_c 9.43926264
_cell_angle_alpha 65.52848727
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... |
InsertBetweenAtomsAction | 65bd77cf-c75e-4071-b7bc-79083c8a73b8 | mp-1210964 | Insert a Nh atom in the line between atoms at indices 37 and 8, and the inserted atom must be 4.60 angstrom from atom at 37 in the cif file. | data_image0
_chemical_formula_structural Lu12Cr4S24
_chemical_formula_sum "Lu12 Cr4 S24"
_cell_length_a 3.68271924
_cell_length_b 13.08619279
_cell_length_c 15.65805516
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural Lu12Cr4S24Nh
_chemical_formula_sum "Lu12 Cr4 S24 Nh1"
_cell_length_a 3.68271924
_cell_length_b 13.08619279
_cell_length_c 15.65805516
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | 05babe92-64d4-40c3-a0d8-ea4c890a5f27 | mp-1197082 | Insert a B atom in the line between atoms at indices 4 and 15, and the inserted atom must be 4.69 angstrom from atom at 4 in the cif file. | data_image0
_chemical_formula_structural Rb6Tm2S6O24
_chemical_formula_sum "Rb6 Tm2 S6 O24"
_cell_length_a 9.41269635
_cell_length_b 9.41269635
_cell_length_c 9.43326427
_cell_angle_alpha 70.76036173
_cell_angle_beta 70.76036173
_cell_angle_gamma 109.51419768
_space_group... | data_image0
_chemical_formula_structural Rb6Tm2S6O24B
_chemical_formula_sum "Rb6 Tm2 S6 O24 B1"
_cell_length_a 9.41269635
_cell_length_b 9.41269635
_cell_length_c 9.43326427
_cell_angle_alpha 70.76036173
_cell_angle_beta 70.76036173
_cell_angle_gamma 109.51419768
_space_g... |
InsertBetweenAtomsAction | ab83f306-b13c-44f0-a81e-785f78a514fb | mp-759690 | Insert a Mt atom in the line between atoms at indices 15 and 12, and the inserted atom must be 3.83 angstrom from atom at 15 in the cif file. | data_image0
_chemical_formula_structural Mn2H16N4F12
_chemical_formula_sum "Mn2 H16 N4 F12"
_cell_length_a 5.9480205
_cell_length_b 5.9480205
_cell_length_c 9.53639
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000556999998
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Mn2H16N4F12Mt
_chemical_formula_sum "Mn2 H16 N4 F12 Mt1"
_cell_length_a 5.9480205
_cell_length_b 5.9480205
_cell_length_c 9.53639
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000556999998
_space_group_name_H... |
InsertBetweenAtomsAction | 2523039b-f05d-4120-aa20-0eef5e603ad1 | mp-561527 | Insert a Pb atom in the line between atoms at indices 53 and 33, and the inserted atom must be 5.20 angstrom from atom at 53 in the cif file. | data_image0
_chemical_formula_structural Rb6Zr4P10S36
_chemical_formula_sum "Rb6 Zr4 P10 S36"
_cell_length_a 6.87203973
_cell_length_b 6.87203973
_cell_length_c 33.89701359
_cell_angle_alpha 86.13173872
_cell_angle_beta 86.13173872
_cell_angle_gamma 92.9822827
_space_grou... | data_image0
_chemical_formula_structural Rb6Zr4P10S36Pb
_chemical_formula_sum "Rb6 Zr4 P10 S36 Pb1"
_cell_length_a 6.87203973
_cell_length_b 6.87203973
_cell_length_c 33.89701359
_cell_angle_alpha 86.13173872
_cell_angle_beta 86.13173872
_cell_angle_gamma 92.9822827
_spac... |
InsertBetweenAtomsAction | cf1e4556-82dc-4266-9987-816632318e6b | mp-1247313 | Insert a Th atom in the line between atoms at indices 31 and 8, and the inserted atom must be 3.94 angstrom from atom at 31 in the cif file. | data_image0
_chemical_formula_structural Zn16Ag4N12
_chemical_formula_sum "Zn16 Ag4 N12"
_cell_length_a 7.08364552
_cell_length_b 6.79057865
_cell_length_c 11.30124314
_cell_angle_alpha 92.11266917
_cell_angle_beta 94.26143464
_cell_angle_gamma 122.26437455999998
_space_g... | data_image0
_chemical_formula_structural Zn16Ag4N12Th
_chemical_formula_sum "Zn16 Ag4 N12 Th1"
_cell_length_a 7.08364552
_cell_length_b 6.79057865
_cell_length_c 11.30124314
_cell_angle_alpha 92.11266917
_cell_angle_beta 94.26143464
_cell_angle_gamma 122.26437455999998
_s... |
InsertBetweenAtomsAction | c6dbc8b7-8c79-4ec8-a9c3-096f3d31a61d | mp-1078810 | Insert a Ti atom in the line between atoms at indices 9 and 1, and the inserted atom must be 4.63 angstrom from atom at 9 in the cif file. | data_image0
_chemical_formula_structural Sc4Sn2Au4
_chemical_formula_sum "Sc4 Sn2 Au4"
_cell_length_a 7.58665667
_cell_length_b 7.58665667
_cell_length_c 3.54939042
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... | data_image0
_chemical_formula_structural Sc4Sn2Au4Ti
_chemical_formula_sum "Sc4 Sn2 Au4 Ti1"
_cell_length_a 7.58665667
_cell_length_b 7.58665667
_cell_length_c 3.54939042
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
InsertBetweenAtomsAction | 887f5d02-3bd3-4f08-89ff-d9cf6736afb6 | mp-2452 | Insert a At atom in the line between atoms at indices 0 and 7, and the inserted atom must be 0.48 angstrom from atom at 0 in the cif file. | data_image0
_chemical_formula_structural P4O10
_chemical_formula_sum "P4 O10"
_cell_length_a 4.83501677
_cell_length_b 4.83501534
_cell_length_c 8.56186796
_cell_angle_alpha 99.5390988
_cell_angle_beta 99.53909892000001
_cell_angle_gamma 114.39856376
_space_group_name_H-M... | data_image0
_chemical_formula_structural P4O10At
_chemical_formula_sum "P4 O10 At1"
_cell_length_a 4.83501677
_cell_length_b 4.83501534
_cell_length_c 8.56186796
_cell_angle_alpha 99.5390988
_cell_angle_beta 99.53909892000001
_cell_angle_gamma 114.39856376
_space_group_na... |
InsertBetweenAtomsAction | 785af57a-88df-43d4-872e-3ad65a749d9d | mp-1217691 | Insert a Es atom in the line between atoms at indices 0 and 1, and the inserted atom must be 6.73 angstrom from atom at 0 in the cif file. | data_image0
_chemical_formula_structural Tb3DyAl8
_chemical_formula_sum "Tb3 Dy1 Al8"
_cell_length_a 9.61162833
_cell_length_b 9.61162833
_cell_length_c 9.61162834
_cell_angle_alpha 33.54500062
_cell_angle_beta 33.54500062
_cell_angle_gamma 33.545002190000005
_space_group... | data_image0
_chemical_formula_structural Tb3DyAl8Es
_chemical_formula_sum "Tb3 Dy1 Al8 Es1"
_cell_length_a 9.61162833
_cell_length_b 9.61162833
_cell_length_c 9.61162834
_cell_angle_alpha 33.54500062
_cell_angle_beta 33.54500062
_cell_angle_gamma 33.545002190000005
_space... |
InsertBetweenAtomsAction | 9b48a473-6fca-4091-b74d-53867deaa9c9 | mp-770592 | Insert a W atom in the line between atoms at indices 11 and 28, and the inserted atom must be 4.19 angstrom from atom at 11 in the cif file. | data_image0
_chemical_formula_structural Mn8P4O20
_chemical_formula_sum "Mn8 P4 O20"
_cell_length_a 7.30761921
_cell_length_b 7.3076192099999995
_cell_length_c 9.74046943
_cell_angle_alpha 62.55562623
_cell_angle_beta 62.55562623
_cell_angle_gamma 52.93347707
_space_group... | data_image0
_chemical_formula_structural Mn8P4O20W
_chemical_formula_sum "Mn8 P4 O20 W1"
_cell_length_a 7.30761921
_cell_length_b 7.3076192099999995
_cell_length_c 9.74046943
_cell_angle_alpha 62.55562623
_cell_angle_beta 62.55562623
_cell_angle_gamma 52.93347707
_space_g... |
InsertBetweenAtomsAction | b0062493-a356-4976-aefd-217fd4c1d64d | mp-1191832 | Insert a Tm atom in the line between atoms at indices 0 and 18, and the inserted atom must be 1.51 angstrom from atom at 0 in the cif file. | data_image0
_chemical_formula_structural Na2Mo8O12
_chemical_formula_sum "Na2 Mo8 O12"
_cell_length_a 10.016629
_cell_length_b 10.016629
_cell_length_c 3.26276
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_gr... | data_image0
_chemical_formula_structural Na2Mo8O12Tm
_chemical_formula_sum "Na2 Mo8 O12 Tm1"
_cell_length_a 10.016629
_cell_length_b 10.016629
_cell_length_c 3.26276
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_sp... |
InsertBetweenAtomsAction | ab0ad67e-9aa6-4ac7-a05f-04f137aceca0 | mp-759690 | Insert a Te atom in the line between atoms at indices 18 and 13, and the inserted atom must be 0.99 angstrom from atom at 18 in the cif file. | data_image0
_chemical_formula_structural Mn2H16N4F12
_chemical_formula_sum "Mn2 H16 N4 F12"
_cell_length_a 5.9480205
_cell_length_b 5.9480205
_cell_length_c 9.53639
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000556999998
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Mn2H16N4F12Te
_chemical_formula_sum "Mn2 H16 N4 F12 Te1"
_cell_length_a 5.9480205
_cell_length_b 5.9480205
_cell_length_c 9.53639
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000556999998
_space_group_name_H... |
InsertBetweenAtomsAction | 05b393dc-2403-4bad-bda1-03fe2001ed62 | mp-1114234 | Insert a Cf atom in the line between atoms at indices 1 and 0, and the inserted atom must be 1.64 angstrom from atom at 1 in the cif file. | data_image0
_chemical_formula_structural Na2LiRhF6
_chemical_formula_sum "Na2 Li1 Rh1 F6"
_cell_length_a 5.63395672
_cell_length_b 5.63395672
_cell_length_c 5.63395672
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999999999999... | data_image0
_chemical_formula_structural Na2LiRhF6Cf
_chemical_formula_sum "Na2 Li1 Rh1 F6 Cf1"
_cell_length_a 5.63395672
_cell_length_b 5.63395672
_cell_length_c 5.63395672
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999999... |
InsertBetweenAtomsAction | c380165b-137c-406c-895b-f93402bf0c44 | mp-1522855 | Insert a Eu atom in the line between atoms at indices 6 and 12, and the inserted atom must be 4.07 angstrom from atom at 6 in the cif file. | data_image0
_chemical_formula_structural KEuZr4O12
_chemical_formula_sum "K1 Eu1 Zr4 O12"
_cell_length_a 5.80215694
_cell_length_b 5.80215694
_cell_length_c 8.46359513
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 89.6025642
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural KEuZr4O12Eu
_chemical_formula_sum "K1 Eu2 Zr4 O12"
_cell_length_a 5.80215694
_cell_length_b 5.80215694
_cell_length_c 8.46359513
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 89.6025642
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | 7987be94-485b-4c98-bda1-1620101f3316 | mp-756505 | Insert a Th atom in the line between atoms at indices 13 and 10, and the inserted atom must be 1.80 angstrom from atom at 13 in the cif file. | data_image0
_chemical_formula_structural Cs6Sc2O6
_chemical_formula_sum "Cs6 Sc2 O6"
_cell_length_a 7.32418222
_cell_length_b 7.32418222
_cell_length_c 7.44391154
_cell_angle_alpha 83.170733
_cell_angle_beta 83.170733
_cell_angle_gamma 115.61349048
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural Cs6Sc2O6Th
_chemical_formula_sum "Cs6 Sc2 O6 Th1"
_cell_length_a 7.32418222
_cell_length_b 7.32418222
_cell_length_c 7.44391154
_cell_angle_alpha 83.170733
_cell_angle_beta 83.170733
_cell_angle_gamma 115.61349048
_space_group_name... |
InsertBetweenAtomsAction | 6fa5c0f9-5703-4f5d-9360-589bbbfb9ae7 | mp-1189074 | Insert a Os atom in the line between atoms at indices 2 and 15, and the inserted atom must be 2.72 angstrom from atom at 2 in the cif file. | data_image0
_chemical_formula_structural Rb4Al2O2F10
_chemical_formula_sum "Rb4 Al2 O2 F10"
_cell_length_a 6.39481619
_cell_length_b 6.394816189999999
_cell_length_c 7.635639
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 99.4904225
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural Rb4Al2O2F10Os
_chemical_formula_sum "Rb4 Al2 O2 F10 Os1"
_cell_length_a 6.39481619
_cell_length_b 6.394816189999999
_cell_length_c 7.635639
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 99.4904225
_space_group_name... |
InsertBetweenAtomsAction | 9a62683a-8e7b-4228-bcd0-8fb97df399c0 | mp-1103522 | Insert a Cu atom in the line between atoms at indices 3 and 6, and the inserted atom must be 1.83 angstrom from atom at 3 in the cif file. | data_image0
_chemical_formula_structural Ga10W4
_chemical_formula_sum "Ga10 W4"
_cell_length_a 9.179984
_cell_length_b 9.179984
_cell_length_c 2.734625
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_group_IT_n... | data_image0
_chemical_formula_structural Ga10W4Cu
_chemical_formula_sum "Ga10 W4 Cu1"
_cell_length_a 9.179984
_cell_length_b 9.179984
_cell_length_c 2.734625
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_grou... |
InsertBetweenAtomsAction | 86e056de-2d9b-4f9d-958b-e78e8e1009eb | mp-558805 | Insert a Er atom in the line between atoms at indices 41 and 34, and the inserted atom must be 0.93 angstrom from atom at 41 in the cif file. | data_image0
_chemical_formula_structural Na12Nd4B8O24
_chemical_formula_sum "Na12 Nd4 B8 O24"
_cell_length_a 8.881597
_cell_length_b 6.671646
_cell_length_c 12.18936188
_cell_angle_alpha 57.77745432999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Na12Nd4B8O24Er
_chemical_formula_sum "Na12 Nd4 B8 O24 Er1"
_cell_length_a 8.881597
_cell_length_b 6.671646
_cell_length_c 12.18936188
_cell_angle_alpha 57.77745432999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_nam... |
InsertBetweenAtomsAction | 897958ed-dbf0-4434-8acd-35efb46e302d | mp-1225453 | Insert a Th atom in the line between atoms at indices 52 and 18, and the inserted atom must be 4.00 angstrom from atom at 52 in the cif file. | data_image0
_chemical_formula_structural Er14Ag51
_chemical_formula_sum "Er14 Ag51"
_cell_length_a 12.7247744
_cell_length_b 12.7247744
_cell_length_c 9.34994
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000205999999
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Er14Ag51Th
_chemical_formula_sum "Er14 Ag51 Th1"
_cell_length_a 12.7247744
_cell_length_b 12.7247744
_cell_length_c 9.34994
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000205999999
_space_group_name_H-M_alt... |
InsertBetweenAtomsAction | cc1b971e-3490-4ad7-85ac-b886c925bb0c | mp-573073 | Insert a Mc atom in the line between atoms at indices 39 and 23, and the inserted atom must be 2.63 angstrom from atom at 39 in the cif file. | data_image0
_chemical_formula_structural Cs14Cu12F38
_chemical_formula_sum "Cs14 Cu12 F38"
_cell_length_a 6.25390924
_cell_length_b 11.44072763
_cell_length_c 15.851694559999999
_cell_angle_alpha 82.62092964000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_... | data_image0
_chemical_formula_structural Cs14Cu12F38Mc
_chemical_formula_sum "Cs14 Cu12 F38 Mc1"
_cell_length_a 6.25390924
_cell_length_b 11.44072763
_cell_length_c 15.851694559999999
_cell_angle_alpha 82.62092964000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_... |
InsertBetweenAtomsAction | a84dc40c-9667-45be-b035-ea563dbc7f13 | mp-1217937 | Insert a U atom in the line between atoms at indices 24 and 2, and the inserted atom must be 0.54 angstrom from atom at 24 in the cif file. | data_image0
_chemical_formula_structural Ti6FeBi9O27
_chemical_formula_sum "Ti6 Fe1 Bi9 O27"
_cell_length_a 6.095446
_cell_length_b 5.707039
_cell_length_c 19.800503
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_sp... | data_image0
_chemical_formula_structural Ti6FeBi9O27U
_chemical_formula_sum "Ti6 Fe1 Bi9 O27 U1"
_cell_length_a 6.095446
_cell_length_b 5.707039
_cell_length_c 19.800503
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... |
InsertBetweenAtomsAction | a2911355-5f99-4273-b3b5-f16a6ce59411 | mp-1200029 | Insert a Rn atom in the line between atoms at indices 85 and 79, and the inserted atom must be 1.85 angstrom from atom at 85 in the cif file. | data_image0
_chemical_formula_structural Co3P4H48N2O30
_chemical_formula_sum "Co3 P4 H48 N2 O30"
_cell_length_a 6.19672752
_cell_length_b 7.041263
_cell_length_c 17.78336569
_cell_angle_alpha 101.41846615
_cell_angle_beta 90.87874117
_cell_angle_gamma 90.0
_space_group_na... | data_image0
_chemical_formula_structural Co3P4H48N2O30Rn
_chemical_formula_sum "Co3 P4 H48 N2 O30 Rn1"
_cell_length_a 6.19672752
_cell_length_b 7.041263
_cell_length_c 17.78336569
_cell_angle_alpha 101.41846615
_cell_angle_beta 90.87874117
_cell_angle_gamma 90.0
_space_gr... |
InsertBetweenAtomsAction | a3ad0e4e-30b3-48b3-849e-1d953885d0c9 | mp-1047132 | Insert a Pd atom in the line between atoms at indices 5 and 11, and the inserted atom must be 0.27 angstrom from atom at 5 in the cif file. | data_image0
_chemical_formula_structural Ca2Ag4O8
_chemical_formula_sum "Ca2 Ag4 O8"
_cell_length_a 7.63414409
_cell_length_b 7.63414409
_cell_length_c 7.63414409
_cell_angle_alpha 133.30591749999996
_cell_angle_beta 133.30591749999996
_cell_angle_gamma 68.17412985
_space... | data_image0
_chemical_formula_structural Ca2Ag4O8Pd
_chemical_formula_sum "Ca2 Ag4 O8 Pd1"
_cell_length_a 7.63414409
_cell_length_b 7.63414409
_cell_length_c 7.63414409
_cell_angle_alpha 133.30591749999996
_cell_angle_beta 133.30591749999996
_cell_angle_gamma 68.17412985
... |
InsertBetweenAtomsAction | dd040b98-5242-4ad8-a0ac-515eee3c5c59 | mp-1214431 | Insert a Rn atom in the line between atoms at indices 2 and 4, and the inserted atom must be 8.25 angstrom from atom at 2 in the cif file. | data_image0
_chemical_formula_structural CdSn3F6
_chemical_formula_sum "Cd1 Sn3 F6"
_cell_length_a 11.630125
_cell_length_b 11.66003966
_cell_length_c 20.736229490000003
_cell_angle_alpha 95.93458659999999
_cell_angle_beta 92.58664804
_cell_angle_gamma 119.17874084
_space... | data_image0
_chemical_formula_structural CdSn3F6Rn
_chemical_formula_sum "Cd1 Sn3 F6 Rn1"
_cell_length_a 11.630125
_cell_length_b 11.66003966
_cell_length_c 20.736229490000003
_cell_angle_alpha 95.93458659999999
_cell_angle_beta 92.58664804
_cell_angle_gamma 119.17874084
... |
InsertBetweenAtomsAction | dd3a8250-d23e-4278-ba3a-8b3d04a78cb1 | mp-722910 | Insert a I atom in the line between atoms at indices 10 and 1, and the inserted atom must be 1.43 angstrom from atom at 10 in the cif file. | data_image0
_chemical_formula_structural K4B12H10N2O4
_chemical_formula_sum "K4 B12 H10 N2 O4"
_cell_length_a 9.0225729
_cell_length_b 9.0225729
_cell_length_c 8.219378
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 140.79420608
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural K4B12H10N2O4I
_chemical_formula_sum "K4 B12 H10 N2 O4 I1"
_cell_length_a 9.0225729
_cell_length_b 9.0225729
_cell_length_c 8.219378
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 140.79420608
_space_group_name_H-M_a... |
InsertBetweenAtomsAction | 7bd9ff43-7587-46e9-949b-fa8a3281a44d | mp-1194576 | Insert a Cn atom in the line between atoms at indices 44 and 31, and the inserted atom must be 2.64 angstrom from atom at 44 in the cif file. | data_image0
_chemical_formula_structural Rb12Sb8Br36
_chemical_formula_sum "Rb12 Sb8 Br36"
_cell_length_a 7.68782753
_cell_length_b 13.69578094
_cell_length_c 19.48151806
_cell_angle_alpha 89.05068551
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Rb12Sb8Br36Cn
_chemical_formula_sum "Rb12 Sb8 Br36 Cn1"
_cell_length_a 7.68782753
_cell_length_b 13.69578094
_cell_length_c 19.48151806
_cell_angle_alpha 89.05068551
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-... |
InsertBetweenAtomsAction | eccac79c-32e5-4b8c-9b36-91d05bd7b797 | mp-779404 | Insert a Rn atom in the line between atoms at indices 46 and 68, and the inserted atom must be 1.37 angstrom from atom at 46 in the cif file. | data_image0
_chemical_formula_structural Li12Cr8As12O48
_chemical_formula_sum "Li12 Cr8 As12 O48"
_cell_length_a 10.51052944
_cell_length_b 10.51052944
_cell_length_c 10.51052944
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_... | data_image0
_chemical_formula_structural Li12Cr8As12O48Rn
_chemical_formula_sum "Li12 Cr8 As12 O48 Rn1"
_cell_length_a 10.51052944
_cell_length_b 10.51052944
_cell_length_c 10.51052944
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122... |
InsertBetweenAtomsAction | b3f0f188-c070-43ad-b506-9c8356f7914c | mp-29817 | Insert a Ce atom in the line between atoms at indices 38 and 65, and the inserted atom must be 4.57 angstrom from atom at 38 in the cif file. | data_image0
_chemical_formula_structural Ga8P16I72
_chemical_formula_sum "Ga8 P16 I72"
_cell_length_a 11.478636
_cell_length_b 18.887677
_cell_length_c 21.713497
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_... | data_image0
_chemical_formula_structural Ga8P16I72Ce
_chemical_formula_sum "Ga8 P16 I72 Ce1"
_cell_length_a 11.478636
_cell_length_b 18.887677
_cell_length_c 21.713497
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
InsertBetweenAtomsAction | a186703f-8efd-4f2f-ae3d-c9284cf3c568 | mp-763831 | Insert a Ts atom in the line between atoms at indices 16 and 19, and the inserted atom must be 5.26 angstrom from atom at 16 in the cif file. | data_image0
_chemical_formula_structural Li16Mn2O8F4
_chemical_formula_sum "Li16 Mn2 O8 F4"
_cell_length_a 5.68516989
_cell_length_b 5.68516989
_cell_length_c 10.88214
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.47845378000001
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Li16Mn2O8F4Ts
_chemical_formula_sum "Li16 Mn2 O8 F4 Ts1"
_cell_length_a 5.68516989
_cell_length_b 5.68516989
_cell_length_c 10.88214
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.47845378000001
_space_group_nam... |
InsertBetweenAtomsAction | bec373fa-ebe9-4a3a-8c60-bf82e69c1cf9 | mp-758458 | Insert a Re atom in the line between atoms at indices 6 and 30, and the inserted atom must be 6.02 angstrom from atom at 6 in the cif file. | data_image0
_chemical_formula_structural Li4V4P16O48
_chemical_formula_sum "Li4 V4 P16 O48"
_cell_length_a 8.879103
_cell_length_b 7.147007
_cell_length_c 15.863987029999999
_cell_angle_alpha 64.71297704
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural Li4V4P16O48Re
_chemical_formula_sum "Li4 V4 P16 O48 Re1"
_cell_length_a 8.879103
_cell_length_b 7.147007
_cell_length_c 15.863987029999999
_cell_angle_alpha 64.71297704
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name... |
InsertBetweenAtomsAction | dfaec5a3-91ae-4139-beb0-2da34f7ab547 | mp-1028186 | Insert a In atom in the line between atoms at indices 5 and 3, and the inserted atom must be 1.52 angstrom from atom at 5 in the cif file. | data_image0
_chemical_formula_structural NaCaMg14
_chemical_formula_sum "Na1 Ca1 Mg14"
_cell_length_a 6.57203517
_cell_length_b 6.55068295
_cell_length_c 10.53355028
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.89258933
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural NaCaMg14In
_chemical_formula_sum "Na1 Ca1 Mg14 In1"
_cell_length_a 6.57203517
_cell_length_b 6.55068295
_cell_length_c 10.53355028
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.89258933
_space_group_name_H-M_al... |
InsertBetweenAtomsAction | 0b7356e1-584d-48b7-a49e-62bac9afa251 | mp-1225618 | Insert a Ds atom in the line between atoms at indices 4 and 12, and the inserted atom must be 1.36 angstrom from atom at 4 in the cif file. | data_image0
_chemical_formula_structural Er2Ga6Cu11
_chemical_formula_sum "Er2 Ga6 Cu11"
_cell_length_a 6.56066199
_cell_length_b 6.560661990000001
_cell_length_c 6.5606616
_cell_angle_alpha 83.56990939999999
_cell_angle_beta 83.56990939999999
_cell_angle_gamma 83.56991377... | data_image0
_chemical_formula_structural Er2Ga6Cu11Ds
_chemical_formula_sum "Er2 Ga6 Cu11 Ds1"
_cell_length_a 6.56066199
_cell_length_b 6.560661990000001
_cell_length_c 6.5606616
_cell_angle_alpha 83.56990939999999
_cell_angle_beta 83.56990939999999
_cell_angle_gamma 83.56... |
InsertBetweenAtomsAction | b3b78ea3-1bb2-46ae-8c61-b4420cd8f16c | mp-22781 | Insert a Ce atom in the line between atoms at indices 25 and 22, and the inserted atom must be 3.72 angstrom from atom at 25 in the cif file. | data_image0
_chemical_formula_structural Mn8Ge4O16
_chemical_formula_sum "Mn8 Ge4 O16"
_cell_length_a 8.178338
_cell_length_b 8.178338
_cell_length_c 8.178338
_cell_angle_alpha 136.07069021
_cell_angle_beta 114.18747095
_cell_angle_gamma 82.53503784
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Mn8Ge4O16Ce
_chemical_formula_sum "Mn8 Ge4 O16 Ce1"
_cell_length_a 8.178338
_cell_length_b 8.178338
_cell_length_c 8.178338
_cell_angle_alpha 136.07069021
_cell_angle_beta 114.18747095
_cell_angle_gamma 82.53503784
_space_group_nam... |
InsertBetweenAtomsAction | e7ee834f-ba9c-4ed3-8dd2-9c4fb3b36953 | mp-1215240 | Insert a O atom in the line between atoms at indices 1 and 9, and the inserted atom must be 1.92 angstrom from atom at 1 in the cif file. | data_image0
_chemical_formula_structural Zr4Ti4Pd4
_chemical_formula_sum "Zr4 Ti4 Pd4"
_cell_length_a 5.3695121
_cell_length_b 5.48048527
_cell_length_c 8.698884
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.66137671999999
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Zr4Ti4Pd4O
_chemical_formula_sum "Zr4 Ti4 Pd4 O1"
_cell_length_a 5.3695121
_cell_length_b 5.48048527
_cell_length_c 8.698884
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.66137671999999
_space_group_name_H-M_al... |
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