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 |
|---|---|---|---|---|---|
RemoveAtomAction | 82225b84-a3cc-4e16-99ff-83a86dbffb8a | mp-849436 | Remove the atom at index 22 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Na4Fe8O16
_chemical_formula_sum "Na4 Fe8 O16"
_cell_length_a 4.87663805
_cell_length_b 5.63360102
_cell_length_c 11.44362409
_cell_angle_alpha 90.00701889999999
_cell_angle_beta 89.98528238
_cell_angle_gamma 90.00346771
_space_grou... | data_image0
_chemical_formula_structural Na4Fe8O15
_chemical_formula_sum "Na4 Fe8 O15"
_cell_length_a 4.87663805
_cell_length_b 5.63360102
_cell_length_c 11.44362409
_cell_angle_alpha 90.00701889999999
_cell_angle_beta 89.98528238
_cell_angle_gamma 90.00346771
_space_grou... |
RemoveAtomAction | f2eb3255-c3de-44bc-b7ae-66b301b8809f | mp-1306534 | Remove the atom at index 0 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural V2Cr4O8
_chemical_formula_sum "V2 Cr4 O8"
_cell_length_a 6.07895869
_cell_length_b 6.08379871
_cell_length_c 6.12704615
_cell_angle_alpha 59.93071830000001
_cell_angle_beta 119.20253117000001
_cell_angle_gamma 120.35283402999998
_s... | data_image0
_chemical_formula_structural VCr4O8
_chemical_formula_sum "V1 Cr4 O8"
_cell_length_a 6.07895869
_cell_length_b 6.08379871
_cell_length_c 6.12704615
_cell_angle_alpha 59.93071830000001
_cell_angle_beta 119.20253117000001
_cell_angle_gamma 120.35283402999998
_sp... |
RemoveAtomAction | 98418c28-ed3e-4740-9edb-dc363f5cf595 | mp-1106190 | Remove the atom at index 6 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Er4Ga12Ni
_chemical_formula_sum "Er4 Ga12 Ni1"
_cell_length_a 7.31613481
_cell_length_b 7.31613481
_cell_length_c 7.31613481
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_space_group_n... | data_image0
_chemical_formula_structural Er4Ga11Ni
_chemical_formula_sum "Er4 Ga11 Ni1"
_cell_length_a 7.31613481
_cell_length_b 7.31613481
_cell_length_c 7.31613481
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_space_group_n... |
RemoveAtomAction | fd5b9a90-f49c-45fe-9994-04ec43a5e0e6 | mp-1027627 | Remove the atom at index 4 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Te2Mo4Se2S4
_chemical_formula_sum "Te2 Mo4 Se2 S4"
_cell_length_a 3.30911865
_cell_length_b 3.30911865
_cell_length_c 37.58381
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00001295
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Te2Mo3Se2S4
_chemical_formula_sum "Te2 Mo3 Se2 S4"
_cell_length_a 3.30911865
_cell_length_b 3.30911865
_cell_length_c 37.58381
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00001295
_space_group_name_H-M_alt ... |
RemoveAtomAction | 265679c3-553a-4e4f-b6a6-3e313f7cc7dd | mp-695175 | Remove the atom at index 17 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Na3Sr14Nd3Ti20O60
_chemical_formula_sum "Na3 Sr14 Nd3 Ti20 O60"
_cell_length_a 5.53353707
_cell_length_b 5.533537070000001
_cell_length_c 39.484861
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.02449801
_space_g... | data_image0
_chemical_formula_structural Na3Sr14Nd2Ti20O60
_chemical_formula_sum "Na3 Sr14 Nd2 Ti20 O60"
_cell_length_a 5.53353707
_cell_length_b 5.533537070000001
_cell_length_c 39.484861
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.02449801
_space_g... |
RemoveAtomAction | 7744e749-536d-45ad-adc5-95c98864c0bf | mp-770527 | Remove the atom at index 10 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li4Mn8O18
_chemical_formula_sum "Li4 Mn8 O18"
_cell_length_a 4.93901349
_cell_length_b 4.93901349
_cell_length_c 13.586927
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999311
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Li4Mn7O18
_chemical_formula_sum "Li4 Mn7 O18"
_cell_length_a 4.93901349
_cell_length_b 4.93901349
_cell_length_c 13.586927
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999311
_space_group_name_H-M_alt "P ... |
RemoveAtomAction | f68afe00-a352-4fe5-bd0f-879947f2a67f | mp-885434 | Remove the atom at index 5 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural K2Li4Fe2O6
_chemical_formula_sum "K2 Li4 Fe2 O6"
_cell_length_a 5.49476973
_cell_length_b 5.49476973
_cell_length_c 6.15100138
_cell_angle_alpha 89.91165704999999
_cell_angle_beta 89.91165704999999
_cell_angle_gamma 73.42810532
_sp... | data_image0
_chemical_formula_structural K2Li3Fe2O6
_chemical_formula_sum "K2 Li3 Fe2 O6"
_cell_length_a 5.49476973
_cell_length_b 5.49476973
_cell_length_c 6.15100138
_cell_angle_alpha 89.91165704999999
_cell_angle_beta 89.91165704999999
_cell_angle_gamma 73.42810532
_sp... |
RemoveAtomAction | f8729036-f0e6-4cc4-95fc-b9f7c5e40f77 | mp-755181 | Remove the atom at index 6 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural V4O5F7
_chemical_formula_sum "V4 O5 F7"
_cell_length_a 5.12574628
_cell_length_b 5.22331207
_cell_length_c 8.79028543
_cell_angle_alpha 74.68223174
_cell_angle_beta 90.24159362
_cell_angle_gamma 60.52764890000001
_space_group_name_... | data_image0
_chemical_formula_structural V4O4F7
_chemical_formula_sum "V4 O4 F7"
_cell_length_a 5.12574628
_cell_length_b 5.22331207
_cell_length_c 8.79028543
_cell_angle_alpha 74.68223174
_cell_angle_beta 90.24159362
_cell_angle_gamma 60.52764890000001
_space_group_name_... |
RemoveAtomAction | 3cdbe5c8-b5b2-4f29-afe4-d66eaf144ecb | mp-573073 | Remove the atom at index 28 from the cif file. The indices of atoms are started from 0. | 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 Cs14Cu12F37
_chemical_formula_sum "Cs14 Cu12 F37"
_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_... |
RemoveAtomAction | 7e1da7b6-fba8-44fb-9ca2-ba4a983c6c65 | mp-1095343 | Remove the atom at index 3 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ca4Mg6Si2
_chemical_formula_sum "Ca4 Mg6 Si2"
_cell_length_a 6.05656735
_cell_length_b 6.05656735
_cell_length_c 9.461633
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999293
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural Ca3Mg6Si2
_chemical_formula_sum "Ca3 Mg6 Si2"
_cell_length_a 6.05656735
_cell_length_b 6.05656735
_cell_length_c 9.461633
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999293
_space_group_name_H-M_alt "P 1... |
RemoveAtomAction | 5eb5b50c-4d3f-48a4-97a8-79ce60792ce6 | mp-861293 | Remove the atom at index 3 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li16Ni2O8F4
_chemical_formula_sum "Li16 Ni2 O8 F4"
_cell_length_a 5.43993172
_cell_length_b 5.18163322
_cell_length_c 10.51516735
_cell_angle_alpha 79.76806078
_cell_angle_beta 76.84242325
_cell_angle_gamma 63.99654066
_space_group... | data_image0
_chemical_formula_structural Li15Ni2O8F4
_chemical_formula_sum "Li15 Ni2 O8 F4"
_cell_length_a 5.43993172
_cell_length_b 5.18163322
_cell_length_c 10.51516735
_cell_angle_alpha 79.76806078
_cell_angle_beta 76.84242325
_cell_angle_gamma 63.99654066
_space_group... |
RemoveAtomAction | 29c23b6b-b196-4da2-88a7-51ac685b60f1 | mp-989647 | Remove the atom at index 15 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Y4Re4N12
_chemical_formula_sum "Y4 Re4 N12"
_cell_length_a 5.3829449
_cell_length_b 5.59557393
_cell_length_c 7.68551211
_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 Y4Re4N11
_chemical_formula_sum "Y4 Re4 N11"
_cell_length_a 5.3829449
_cell_length_b 5.59557393
_cell_length_c 7.68551211
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_... |
RemoveAtomAction | 7ef2e6a0-761b-4eeb-8b06-fa03919a2890 | mp-776680 | Remove the atom at index 26 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural TiMn2Ni3P6O24
_chemical_formula_sum "Ti1 Mn2 Ni3 P6 O24"
_cell_length_a 8.55608297
_cell_length_b 8.55608297
_cell_length_c 8.55608298
_cell_angle_alpha 60.853267769999995
_cell_angle_beta 60.853267769999995
_cell_angle_gamma 60.853... | data_image0
_chemical_formula_structural TiMn2Ni3P6O23
_chemical_formula_sum "Ti1 Mn2 Ni3 P6 O23"
_cell_length_a 8.55608297
_cell_length_b 8.55608297
_cell_length_c 8.55608298
_cell_angle_alpha 60.853267769999995
_cell_angle_beta 60.853267769999995
_cell_angle_gamma 60.853... |
RemoveAtomAction | 9ae33aa8-9fe1-4c0f-a685-341861ce73c5 | mp-756803 | Remove the atom at index 11 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li3Fe4NiO8
_chemical_formula_sum "Li3 Fe4 Ni1 O8"
_cell_length_a 5.99879997
_cell_length_b 5.99879997
_cell_length_c 5.98749598
_cell_angle_alpha 60.26840743
_cell_angle_beta 60.26840743
_cell_angle_gamma 59.43487156
_space_group_n... | data_image0
_chemical_formula_structural Li3Fe4NiO7
_chemical_formula_sum "Li3 Fe4 Ni1 O7"
_cell_length_a 5.99879997
_cell_length_b 5.99879997
_cell_length_c 5.98749598
_cell_angle_alpha 60.26840743
_cell_angle_beta 60.26840743
_cell_angle_gamma 59.43487156
_space_group_n... |
RemoveAtomAction | edcc7867-c112-4c05-9616-3e75589c3224 | mp-1111700 | Remove the atom at index 0 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Na3TlBr6
_chemical_formula_sum "Na3 Tl1 Br6"
_cell_length_a 7.95609256
_cell_length_b 7.95609256
_cell_length_c 7.95609256
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
_... | data_image0
_chemical_formula_structural Na2TlBr6
_chemical_formula_sum "Na2 Tl1 Br6"
_cell_length_a 7.95609256
_cell_length_b 7.95609256
_cell_length_c 7.95609256
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
_... |
RemoveAtomAction | 6fd517d3-6019-4004-856f-233266644920 | mp-1232277 | Remove the atom at index 29 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sm6Mg6S18
_chemical_formula_sum "Sm6 Mg6 S18"
_cell_length_a 6.855687
_cell_length_b 6.85568666
_cell_length_c 17.754389
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999680999998
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Sm6Mg6S17
_chemical_formula_sum "Sm6 Mg6 S17"
_cell_length_a 6.855687
_cell_length_b 6.85568666
_cell_length_c 17.754389
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999680999998
_space_group_name_H-M_alt ... |
RemoveAtomAction | 057cab51-db15-4840-a476-46ac67aa7501 | mp-554072 | Remove the atom at index 5 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural K4C2O6
_chemical_formula_sum "K4 C2 O6"
_cell_length_a 5.59586248
_cell_length_b 5.74233989
_cell_length_c 6.7059935
_cell_angle_alpha 84.65593184
_cell_angle_beta 78.98018179
_cell_angle_gamma 60.840285819999984
_space_group_name_... | data_image0
_chemical_formula_structural K4CO6
_chemical_formula_sum "K4 C1 O6"
_cell_length_a 5.59586248
_cell_length_b 5.74233989
_cell_length_c 6.7059935
_cell_angle_alpha 84.65593184
_cell_angle_beta 78.98018179
_cell_angle_gamma 60.840285819999984
_space_group_name_H... |
RemoveAtomAction | e86f4832-38e7-4fa5-9739-ed1fc0f456c9 | mp-1029153 | Remove the atom at index 8 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Te2Mo2W2Se4S2
_chemical_formula_sum "Te2 Mo2 W2 Se4 S2"
_cell_length_a 3.34167077
_cell_length_b 3.34167077
_cell_length_c 38.037908
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00001524
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Te2Mo2W2Se3S2
_chemical_formula_sum "Te2 Mo2 W2 Se3 S2"
_cell_length_a 3.34167077
_cell_length_b 3.34167077
_cell_length_c 38.037908
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00001524
_space_group_name_H-M_... |
RemoveAtomAction | 4c3be74c-ba5c-4dad-9a2b-6fd1c2cf7356 | mp-997504 | Remove the atom at index 10 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Cu6O2F10
_chemical_formula_sum "Cu6 O2 F10"
_cell_length_a 7.54065713
_cell_length_b 5.535047279999999
_cell_length_c 5.38770919
_cell_angle_alpha 70.58667508
_cell_angle_beta 107.75736870000001
_cell_angle_gamma 106.39862776
_spac... | data_image0
_chemical_formula_structural Cu6O2F9
_chemical_formula_sum "Cu6 O2 F9"
_cell_length_a 7.54065713
_cell_length_b 5.535047279999999
_cell_length_c 5.38770919
_cell_angle_alpha 70.58667508
_cell_angle_beta 107.75736870000001
_cell_angle_gamma 106.39862776
_space_... |
RemoveAtomAction | 1d7c901b-9334-4b5f-b935-e00190f761ae | mp-2241417 | Remove the atom at index 10 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Na2MgMn2O8
_chemical_formula_sum "Na2 Mg1 Mn2 O8"
_cell_length_a 5.73591922
_cell_length_b 5.73591922
_cell_length_c 7.55996077
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 57.525083220000006
_space_group_name_H-M... | data_image0
_chemical_formula_structural Na2MgMn2O7
_chemical_formula_sum "Na2 Mg1 Mn2 O7"
_cell_length_a 5.73591922
_cell_length_b 5.73591922
_cell_length_c 7.55996077
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 57.525083220000006
_space_group_name_H-M... |
RemoveAtomAction | 731f9f42-8578-462c-b5dc-399093f2d56b | mp-2230732 | Remove the atom at index 9 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural MgFe6O11F
_chemical_formula_sum "Mg1 Fe6 O11 F1"
_cell_length_a 4.85946056
_cell_length_b 7.45549383
_cell_length_c 5.51926505
_cell_angle_alpha 95.12245838
_cell_angle_beta 91.52087611
_cell_angle_gamma 88.62284776
_space_group_na... | data_image0
_chemical_formula_structural MgFe6O10F
_chemical_formula_sum "Mg1 Fe6 O10 F1"
_cell_length_a 4.85946056
_cell_length_b 7.45549383
_cell_length_c 5.51926505
_cell_angle_alpha 95.12245838
_cell_angle_beta 91.52087611
_cell_angle_gamma 88.62284776
_space_group_na... |
RemoveAtomAction | ae1a6fc5-0f2c-4d30-9d48-a879a75f9a97 | mp-561176 | Remove the atom at index 21 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sb8P4O4F52
_chemical_formula_sum "Sb8 P4 O4 F52"
_cell_length_a 15.0466
_cell_length_b 7.469936
_cell_length_c 10.5737995
_cell_angle_alpha 82.54533753999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Sb8P4O4F51
_chemical_formula_sum "Sb8 P4 O4 F51"
_cell_length_a 15.0466
_cell_length_b 7.469936
_cell_length_c 10.5737995
_cell_angle_alpha 82.54533753999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
RemoveAtomAction | 45ef9be8-0468-41bc-a3d5-6587781feb61 | mp-759285 | Remove the atom at index 10 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li4Fe7O2F14
_chemical_formula_sum "Li4 Fe7 O2 F14"
_cell_length_a 6.187905
_cell_length_b 6.22051538
_cell_length_c 10.776466370000001
_cell_angle_alpha 91.03348126
_cell_angle_beta 105.74202947
_cell_angle_gamma 119.43502851
_spac... | data_image0
_chemical_formula_structural Li4Fe6O2F14
_chemical_formula_sum "Li4 Fe6 O2 F14"
_cell_length_a 6.187905
_cell_length_b 6.22051538
_cell_length_c 10.776466370000001
_cell_angle_alpha 91.03348126
_cell_angle_beta 105.74202947
_cell_angle_gamma 119.43502851
_spac... |
RemoveAtomAction | 47f56e4c-62cf-4a9f-992c-6ce2e9ea9fda | mp-1046918 | Remove the atom at index 13 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ca4Ti4O8
_chemical_formula_sum "Ca4 Ti4 O8"
_cell_length_a 2.98719992
_cell_length_b 8.43779539
_cell_length_c 9.04107259
_cell_angle_alpha 85.8211923
_cell_angle_beta 80.76044051
_cell_angle_gamma 79.79836391000002
_space_group_na... | data_image0
_chemical_formula_structural Ca4Ti4O7
_chemical_formula_sum "Ca4 Ti4 O7"
_cell_length_a 2.98719992
_cell_length_b 8.43779539
_cell_length_c 9.04107259
_cell_angle_alpha 85.8211923
_cell_angle_beta 80.76044051
_cell_angle_gamma 79.79836391000002
_space_group_na... |
RemoveAtomAction | 048b1e2f-3538-4b7e-a33d-267d9e8ffe49 | mp-1246600 | Remove the atom at index 11 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ba6Cu2N6
_chemical_formula_sum "Ba6 Cu2 N6"
_cell_length_a 8.09362701
_cell_length_b 8.09295231
_cell_length_c 5.704156
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99708753
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural Ba6Cu2N5
_chemical_formula_sum "Ba6 Cu2 N5"
_cell_length_a 8.09362701
_cell_length_b 8.09295231
_cell_length_c 5.704156
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99708753
_space_group_name_H-M_alt "P 1"
... |
RemoveAtomAction | 7bc3d3e1-c878-4ce5-937e-f1529e4e70da | mp-571569 | Remove the atom at index 3 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Cd9I18
_chemical_formula_sum "Cd9 I18"
_cell_length_a 4.28636008
_cell_length_b 4.28635996
_cell_length_c 64.37281574
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000093000001
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Cd8I18
_chemical_formula_sum "Cd8 I18"
_cell_length_a 4.28636008
_cell_length_b 4.28635996
_cell_length_c 64.37281574
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000093000001
_space_group_name_H-M_alt "P... |
RemoveAtomAction | 8521ec91-427d-47ce-93f1-68b58a1a6762 | mp-772150 | Remove the atom at index 20 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li4Ti26O44
_chemical_formula_sum "Li4 Ti26 O44"
_cell_length_a 7.67994716
_cell_length_b 7.67994716
_cell_length_c 14.056681
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 97.84195336
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Li4Ti25O44
_chemical_formula_sum "Li4 Ti25 O44"
_cell_length_a 7.67994716
_cell_length_b 7.67994716
_cell_length_c 14.056681
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 97.84195336
_space_group_name_H-M_alt "P... |
RemoveAtomAction | 9383071a-6fc0-4d90-b02c-bbcc6fdad85e | mp-2232113 | Remove the atom at index 1 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural MgFe4Hg2O8
_chemical_formula_sum "Mg1 Fe4 Hg2 O8"
_cell_length_a 6.22845674
_cell_length_b 6.557384129999999
_cell_length_c 6.557384130000001
_cell_angle_alpha 58.85205474
_cell_angle_beta 61.64590332
_cell_angle_gamma 61.64590332
... | data_image0
_chemical_formula_structural MgFe3Hg2O8
_chemical_formula_sum "Mg1 Fe3 Hg2 O8"
_cell_length_a 6.22845674
_cell_length_b 6.557384129999999
_cell_length_c 6.557384130000001
_cell_angle_alpha 58.85205474
_cell_angle_beta 61.64590332
_cell_angle_gamma 61.64590332
... |
RemoveAtomAction | bc7a26c8-86d9-4ff1-9fa2-ae6cf2e1f900 | mp-766004 | Remove the atom at index 26 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li8V4C8O24
_chemical_formula_sum "Li8 V4 C8 O24"
_cell_length_a 4.904079
_cell_length_b 13.0407102
_cell_length_c 8.422585780000002
_cell_angle_alpha 100.73298235
_cell_angle_beta 89.99971249000001
_cell_angle_gamma 90.00009645
_sp... | data_image0
_chemical_formula_structural Li8V4C8O23
_chemical_formula_sum "Li8 V4 C8 O23"
_cell_length_a 4.904079
_cell_length_b 13.0407102
_cell_length_c 8.422585780000002
_cell_angle_alpha 100.73298235
_cell_angle_beta 89.99971249000001
_cell_angle_gamma 90.00009645
_sp... |
RemoveAtomAction | 1526cc61-cd4d-4e0f-b339-53e1b11934a1 | mp-2230732 | Remove the atom at index 16 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural MgFe6O11F
_chemical_formula_sum "Mg1 Fe6 O11 F1"
_cell_length_a 4.85946056
_cell_length_b 7.45549383
_cell_length_c 5.51926505
_cell_angle_alpha 95.12245838
_cell_angle_beta 91.52087611
_cell_angle_gamma 88.62284776
_space_group_na... | data_image0
_chemical_formula_structural MgFe6O10F
_chemical_formula_sum "Mg1 Fe6 O10 F1"
_cell_length_a 4.85946056
_cell_length_b 7.45549383
_cell_length_c 5.51926505
_cell_angle_alpha 95.12245838
_cell_angle_beta 91.52087611
_cell_angle_gamma 88.62284776
_space_group_na... |
RemoveAtomAction | 5a8aee3a-0bab-4497-ad88-d9c918c0d0d1 | mp-2713621 | Remove the atom at index 49 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Na12Zr4Ti4Si8P4O48
_chemical_formula_sum "Na12 Zr4 Ti4 Si8 P4 O48"
_cell_length_a 15.70059751
_cell_length_b 9.08334196
_cell_length_c 9.0447651
_cell_angle_alpha 89.98724374000001
_cell_angle_beta 125.00184299
_cell_angle_gamma 90.... | data_image0
_chemical_formula_structural Na12Zr4Ti4Si8P4O47
_chemical_formula_sum "Na12 Zr4 Ti4 Si8 P4 O47"
_cell_length_a 15.70059751
_cell_length_b 9.08334196
_cell_length_c 9.0447651
_cell_angle_alpha 89.98724374000001
_cell_angle_beta 125.00184299
_cell_angle_gamma 90.... |
RemoveAtomAction | 08062aa9-2742-4b80-be32-6b597d560c08 | mp-1207428 | Remove the atom at index 11 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Zr4Ni4As4
_chemical_formula_sum "Zr4 Ni4 As4"
_cell_length_a 3.87754837
_cell_length_b 6.50261482
_cell_length_c 7.28609464
_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 Zr4Ni4As3
_chemical_formula_sum "Zr4 Ni4 As3"
_cell_length_a 3.87754837
_cell_length_b 6.50261482
_cell_length_c 7.28609464
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... |
RemoveAtomAction | 842239da-09d4-429d-8b93-72edf5244986 | mp-1194492 | Remove the atom at index 13 from the cif file. The indices of atoms are started from 0. | 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 Al4Te2S2O17
_chemical_formula_sum "Al4 Te2 S2 O17"
_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... |
RemoveAtomAction | b1f60364-6bf2-4517-8448-d7976b40ffa8 | mp-850445 | Remove the atom at index 61 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Na6Zn8As6H24O38
_chemical_formula_sum "Na6 Zn8 As6 H24 O38"
_cell_length_a 10.99717487
_cell_length_b 10.99717487
_cell_length_c 10.99717513
_cell_angle_alpha 60.66908433
_cell_angle_beta 60.66908433
_cell_angle_gamma 60.66908747999... | data_image0
_chemical_formula_structural Na6Zn8As6H24O37
_chemical_formula_sum "Na6 Zn8 As6 H24 O37"
_cell_length_a 10.99717487
_cell_length_b 10.99717487
_cell_length_c 10.99717513
_cell_angle_alpha 60.66908433
_cell_angle_beta 60.66908433
_cell_angle_gamma 60.66908747999... |
RemoveAtomAction | 515bf25b-b8b0-4cfb-8e72-aad874bd8872 | mp-772149 | Remove the atom at index 23 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sm8Ge8O28
_chemical_formula_sum "Sm8 Ge8 O28"
_cell_length_a 6.90826558
_cell_length_b 6.90239741
_cell_length_c 12.435522049999998
_cell_angle_alpha 93.65715325999999
_cell_angle_beta 91.28990938
_cell_angle_gamma 91.89077831
_spa... | data_image0
_chemical_formula_structural Sm8Ge8O27
_chemical_formula_sum "Sm8 Ge8 O27"
_cell_length_a 6.90826558
_cell_length_b 6.90239741
_cell_length_c 12.435522049999998
_cell_angle_alpha 93.65715325999999
_cell_angle_beta 91.28990938
_cell_angle_gamma 91.89077831
_spa... |
RemoveAtomAction | 82ba8313-f0fe-494f-b2ed-a8d3ffb91436 | mp-28481 | Remove the atom at index 6 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ti2Cl8O32
_chemical_formula_sum "Ti2 Cl8 O32"
_cell_length_a 7.36965456
_cell_length_b 7.36959662
_cell_length_c 12.98710817
_cell_angle_alpha 73.70079455
_cell_angle_beta 73.7011985
_cell_angle_gamma 64.01522777
_space_group_name_... | data_image0
_chemical_formula_structural Ti2Cl7O32
_chemical_formula_sum "Ti2 Cl7 O32"
_cell_length_a 7.36965456
_cell_length_b 7.36959662
_cell_length_c 12.98710817
_cell_angle_alpha 73.70079455
_cell_angle_beta 73.7011985
_cell_angle_gamma 64.01522777
_space_group_name_... |
RemoveAtomAction | 5553906f-45bd-4af9-9ed5-52382bb05970 | mp-765641 | Remove the atom at index 54 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li8Fe8P8O32
_chemical_formula_sum "Li8 Fe8 P8 O32"
_cell_length_a 4.935367
_cell_length_b 7.702235
_cell_length_c 18.4794473
_cell_angle_alpha 89.25448525
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Li8Fe8P8O31
_chemical_formula_sum "Li8 Fe8 P8 O31"
_cell_length_a 4.935367
_cell_length_b 7.702235
_cell_length_c 18.4794473
_cell_angle_alpha 89.25448525
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... |
RemoveAtomAction | e96ff043-cca9-4c37-bd4f-926c6522c905 | mp-1192384 | Remove the atom at index 12 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Dy4W4Br4O16
_chemical_formula_sum "Dy4 W4 Br4 O16"
_cell_length_a 6.994129
_cell_length_b 7.32133539
_cell_length_c 11.08389912
_cell_angle_alpha 104.39430596000001
_cell_angle_beta 107.88295586
_cell_angle_gamma 93.82427121
_space... | data_image0
_chemical_formula_structural Dy4W4Br4O15
_chemical_formula_sum "Dy4 W4 Br4 O15"
_cell_length_a 6.994129
_cell_length_b 7.32133539
_cell_length_c 11.08389912
_cell_angle_alpha 104.39430596000001
_cell_angle_beta 107.88295586
_cell_angle_gamma 93.82427121
_space... |
RemoveAtomAction | 76f975bb-181b-47d0-bd1f-6dcba4d7fb53 | mp-1200475 | Remove the atom at index 8 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural U2B16O34
_chemical_formula_sum "U2 B16 O34"
_cell_length_a 8.97706869
_cell_length_b 8.97706869
_cell_length_c 11.125183349999999
_cell_angle_alpha 89.98961474
_cell_angle_beta 89.98961474
_cell_angle_gamma 136.85945971
_space_grou... | data_image0
_chemical_formula_structural U2B15O34
_chemical_formula_sum "U2 B15 O34"
_cell_length_a 8.97706869
_cell_length_b 8.97706869
_cell_length_c 11.125183349999999
_cell_angle_alpha 89.98961474
_cell_angle_beta 89.98961474
_cell_angle_gamma 136.85945971
_space_grou... |
RemoveAtomAction | ceef356a-dd13-457e-9e22-834312e74e5f | mp-1205859 | Remove the atom at index 2 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural KRb2PdF6
_chemical_formula_sum "K1 Rb2 Pd1 F6"
_cell_length_a 6.383033
_cell_length_b 6.383033
_cell_length_c 6.53945419
_cell_angle_alpha 119.21184546000002
_cell_angle_beta 119.21184546000002
_cell_angle_gamma 90.0
_space_group_n... | data_image0
_chemical_formula_structural KRbPdF6
_chemical_formula_sum "K1 Rb1 Pd1 F6"
_cell_length_a 6.383033
_cell_length_b 6.383033
_cell_length_c 6.53945419
_cell_angle_alpha 119.21184546000002
_cell_angle_beta 119.21184546000002
_cell_angle_gamma 90.0
_space_group_na... |
RemoveAtomAction | cd651def-3248-4dd5-bdc8-94262333b986 | mp-1233985 | Remove the atom at index 40 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ba10MgAs6Cl2O24
_chemical_formula_sum "Ba10 Mg1 As6 Cl2 O24"
_cell_length_a 10.77824621
_cell_length_b 10.77414381
_cell_length_c 8.31184086
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.07563411999999
_space_g... | data_image0
_chemical_formula_structural Ba10MgAs6Cl2O23
_chemical_formula_sum "Ba10 Mg1 As6 Cl2 O23"
_cell_length_a 10.77824621
_cell_length_b 10.77414381
_cell_length_c 8.31184086
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.07563411999999
_space_g... |
RemoveAtomAction | bada71de-2ac5-4f47-b6d7-01001bee7e78 | mp-762220 | Remove the atom at index 44 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li8Cu8P8O32
_chemical_formula_sum "Li8 Cu8 P8 O32"
_cell_length_a 5.471277
_cell_length_b 7.589947
_cell_length_c 15.418015
_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 Li8Cu8P8O31
_chemical_formula_sum "Li8 Cu8 P8 O31"
_cell_length_a 5.471277
_cell_length_b 7.589947
_cell_length_c 15.418015
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... |
RemoveAtomAction | 64170b6c-4965-4832-beff-8651c3b49344 | mp-1191086 | Remove the atom at index 7 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Nd2Mn3Cu9P7
_chemical_formula_sum "Nd2 Mn3 Cu9 P7"
_cell_length_a 9.52202874
_cell_length_b 9.522028740000001
_cell_length_c 3.826614
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000515
_space_group_name_H-M... | data_image0
_chemical_formula_structural Nd2Mn3Cu8P7
_chemical_formula_sum "Nd2 Mn3 Cu8 P7"
_cell_length_a 9.52202874
_cell_length_b 9.522028740000001
_cell_length_c 3.826614
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000515
_space_group_name_H-M... |
RemoveAtomAction | ebdfe483-db52-4362-a580-59f7d969b381 | mp-754801 | Remove the atom at index 20 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li3Ti6O13
_chemical_formula_sum "Li3 Ti6 O13"
_cell_length_a 6.33971566
_cell_length_b 6.33971566
_cell_length_c 10.51469228
_cell_angle_alpha 79.81631376
_cell_angle_beta 79.81631376
_cell_angle_gamma 36.54374927999999
_space_grou... | data_image0
_chemical_formula_structural Li3Ti6O12
_chemical_formula_sum "Li3 Ti6 O12"
_cell_length_a 6.33971566
_cell_length_b 6.33971566
_cell_length_c 10.51469228
_cell_angle_alpha 79.81631376
_cell_angle_beta 79.81631376
_cell_angle_gamma 36.54374927999999
_space_grou... |
RemoveAtomAction | c157ba3f-e086-4bbb-9863-049e1dcb983c | mp-540267 | Remove the atom at index 10 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Cr2P4O14
_chemical_formula_sum "Cr2 P4 O14"
_cell_length_a 6.335876
_cell_length_b 6.415262979999999
_cell_length_c 6.90502087
_cell_angle_alpha 89.08847891
_cell_angle_beta 113.74398703
_cell_angle_gamma 94.57539448
_space_group_n... | data_image0
_chemical_formula_structural Cr2P4O13
_chemical_formula_sum "Cr2 P4 O13"
_cell_length_a 6.335876
_cell_length_b 6.415262979999999
_cell_length_c 6.90502087
_cell_angle_alpha 89.08847891
_cell_angle_beta 113.74398703
_cell_angle_gamma 94.57539448
_space_group_n... |
RemoveAtomAction | 1028311c-2f94-4cd0-bdfa-80aaae037ccb | mp-11609 | Remove the atom at index 0 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sb2Mo4S4
_chemical_formula_sum "Sb2 Mo4 S4"
_cell_length_a 3.20347563
_cell_length_b 6.55778366
_cell_length_c 9.48259106
_cell_angle_alpha 105.60859122
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural SbMo4S4
_chemical_formula_sum "Sb1 Mo4 S4"
_cell_length_a 3.20347563
_cell_length_b 6.55778366
_cell_length_c 9.48259106
_cell_angle_alpha 105.60859122
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... |
RemoveAtomAction | e626191f-43f2-4e89-93c2-928be0d78a95 | mp-753734 | Remove the atom at index 8 from the cif file. The indices of atoms are started from 0. | 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 Mn4Cr2O11
_chemical_formula_sum "Mn4 Cr2 O11"
_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... |
RemoveAtomAction | 90210797-ff3b-4eef-ba5c-14dbc6d6d220 | mp-24473 | Remove the atom at index 36 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Be4P4H16N4O16
_chemical_formula_sum "Be4 P4 H16 N4 O16"
_cell_length_a 4.92650173
_cell_length_b 8.58708058
_cell_length_c 8.70990538
_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 Be4P4H16N4O15
_chemical_formula_sum "Be4 P4 H16 N4 O15"
_cell_length_a 4.92650173
_cell_length_b 8.58708058
_cell_length_c 8.70990538
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
RemoveAtomAction | e10435dd-02d6-4329-a22c-5935fc726e17 | mp-2230050 | Remove the atom at index 1 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural MgFe6O6F6
_chemical_formula_sum "Mg1 Fe6 O6 F6"
_cell_length_a 5.29770932
_cell_length_b 5.34074208
_cell_length_c 8.859214550000003
_cell_angle_alpha 87.20145085000001
_cell_angle_beta 92.1387507
_cell_angle_gamma 89.35857335
_spa... | data_image0
_chemical_formula_structural MgFe5O6F6
_chemical_formula_sum "Mg1 Fe5 O6 F6"
_cell_length_a 5.29770932
_cell_length_b 5.34074208
_cell_length_c 8.859214550000003
_cell_angle_alpha 87.20145085000001
_cell_angle_beta 92.1387507
_cell_angle_gamma 89.35857335
_spa... |
RemoveAtomAction | 500771bb-4b7d-4fcc-93b9-a8ffcf8f329d | mp-1516542 | Remove the atom at index 7 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural BaCaCeNbO6
_chemical_formula_sum "Ba1 Ca1 Ce1 Nb1 O6"
_cell_length_a 6.07376453
_cell_length_b 6.07376453
_cell_length_c 6.07376453
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999999... | data_image0
_chemical_formula_structural BaCaCeNbO5
_chemical_formula_sum "Ba1 Ca1 Ce1 Nb1 O5"
_cell_length_a 6.07376453
_cell_length_b 6.07376453
_cell_length_c 6.07376453
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999999... |
RemoveAtomAction | faf5d96c-2b82-400d-b62c-eb079c1fe583 | mp-553374 | Remove the atom at index 0 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Cs4Sb2O5
_chemical_formula_sum "Cs4 Sb2 O5"
_cell_length_a 6.37456796
_cell_length_b 6.37457746
_cell_length_c 8.16299331
_cell_angle_alpha 82.39049071
_cell_angle_beta 82.39056568
_cell_angle_gamma 66.18520179
_space_group_name_H-... | data_image0
_chemical_formula_structural Cs3Sb2O5
_chemical_formula_sum "Cs3 Sb2 O5"
_cell_length_a 6.37456796
_cell_length_b 6.37457746
_cell_length_c 8.16299331
_cell_angle_alpha 82.39049071
_cell_angle_beta 82.39056568
_cell_angle_gamma 66.18520179
_space_group_name_H-... |
RemoveAtomAction | a9d30842-1964-4770-a5bb-3815c55b7264 | mp-1029063 | Remove the atom at index 10 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Te2Mo2W2Se2S4
_chemical_formula_sum "Te2 Mo2 W2 Se2 S4"
_cell_length_a 3.30870784
_cell_length_b 3.3087078400000003
_cell_length_c 37.645413
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999685
_space_group_n... | data_image0
_chemical_formula_structural Te2Mo2W2Se2S3
_chemical_formula_sum "Te2 Mo2 W2 Se2 S3"
_cell_length_a 3.30870784
_cell_length_b 3.3087078400000003
_cell_length_c 37.645413
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999685
_space_group_n... |
RemoveAtomAction | 12edf1dc-d30b-45fd-b3a4-6728daa336d5 | mp-1228248 | Remove the atom at index 17 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ba4NdYCu8O16
_chemical_formula_sum "Ba4 Nd1 Y1 Cu8 O16"
_cell_length_a 3.922374
_cell_length_b 3.926894
_cell_length_c 27.543314
_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 Ba4NdYCu8O15
_chemical_formula_sum "Ba4 Nd1 Y1 Cu8 O15"
_cell_length_a 3.922374
_cell_length_b 3.926894
_cell_length_c 27.543314
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... |
RemoveAtomAction | 01354b2a-226d-460f-9a75-28a40191bfc2 | mp-861986 | Remove the atom at index 14 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Pr10Al4Ru6
_chemical_formula_sum "Pr10 Al4 Ru6"
_cell_length_a 8.57985719
_cell_length_b 8.57985719
_cell_length_c 8.57985719
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_space_group_... | data_image0
_chemical_formula_structural Pr10Al4Ru5
_chemical_formula_sum "Pr10 Al4 Ru5"
_cell_length_a 8.57985719
_cell_length_b 8.57985719
_cell_length_c 8.57985719
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_space_group_... |
RemoveAtomAction | bf75a102-5a53-497f-b825-e3b8a77c39bd | mp-29717 | Remove the atom at index 23 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ag4W24Br56
_chemical_formula_sum "Ag4 W24 Br56"
_cell_length_a 13.761003
_cell_length_b 13.761003
_cell_length_c 13.761003
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spac... | data_image0
_chemical_formula_structural Ag4W23Br56
_chemical_formula_sum "Ag4 W23 Br56"
_cell_length_a 13.761003
_cell_length_b 13.761003
_cell_length_c 13.761003
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spac... |
RemoveAtomAction | 946ab8c2-e173-4d95-8c7e-83445d69324e | mp-1244893 | Remove the atom at index 32 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Al32O12
_chemical_formula_sum "Al32 O12"
_cell_length_a 5.73023793
_cell_length_b 5.73829885
_cell_length_c 49.64508371
_cell_angle_alpha 92.01092030000001
_cell_angle_beta 91.56035934999998
_cell_angle_gamma 59.58455244000002
_spa... | data_image0
_chemical_formula_structural Al32O11
_chemical_formula_sum "Al32 O11"
_cell_length_a 5.73023793
_cell_length_b 5.73829885
_cell_length_c 49.64508371
_cell_angle_alpha 92.01092030000001
_cell_angle_beta 91.56035934999998
_cell_angle_gamma 59.58455244000002
_spa... |
RemoveAtomAction | 24253666-122a-4b6b-bae9-7af09938ced6 | mp-26220 | Remove the atom at index 6 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mn2P2O8
_chemical_formula_sum "Mn2 P2 O8"
_cell_length_a 4.72858699
_cell_length_b 4.72858125
_cell_length_c 6.571448999999999
_cell_angle_alpha 89.99848461
_cell_angle_beta 90.00121092999998
_cell_angle_gamma 68.34928989
_space_gr... | data_image0
_chemical_formula_structural Mn2P2O7
_chemical_formula_sum "Mn2 P2 O7"
_cell_length_a 4.72858699
_cell_length_b 4.72858125
_cell_length_c 6.571448999999999
_cell_angle_alpha 89.99848461
_cell_angle_beta 90.00121092999998
_cell_angle_gamma 68.34928989
_space_gr... |
RemoveAtomAction | 0e743925-9acf-48ab-8b57-de661aaa1e02 | mp-1026887 | Remove the atom at index 0 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mg14CuC
_chemical_formula_sum "Mg14 Cu1 C1"
_cell_length_a 6.14614547
_cell_length_b 6.146145009999999
_cell_length_c 9.85098463
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000243999999
_space_group_name_H-... | data_image0
_chemical_formula_structural Mg13CuC
_chemical_formula_sum "Mg13 Cu1 C1"
_cell_length_a 6.14614547
_cell_length_b 6.146145009999999
_cell_length_c 9.85098463
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000243999999
_space_group_name_H-... |
RemoveAtomAction | f774ec64-29c9-4ee9-89dd-2a06269844a0 | mp-1208367 | Remove the atom at index 14 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Th6Co8Sn26
_chemical_formula_sum "Th6 Co8 Sn26"
_cell_length_a 9.64449
_cell_length_b 9.64449
_cell_length_c 9.64449
_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... | data_image0
_chemical_formula_structural Th6Co8Sn25
_chemical_formula_sum "Th6 Co8 Sn25"
_cell_length_a 9.64449
_cell_length_b 9.64449
_cell_length_c 9.64449
_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... |
RemoveAtomAction | 6ff2f4bf-dfda-41eb-84b2-f39fef6bb9b4 | mp-1233593 | Remove the atom at index 16 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ho2MgAg2W4O16
_chemical_formula_sum "Ho2 Mg1 Ag2 W4 O16"
_cell_length_a 7.46856282
_cell_length_b 8.0684189
_cell_length_c 7.43717596
_cell_angle_alpha 95.01467005
_cell_angle_beta 111.79078315999999
_cell_angle_gamma 120.0378453399... | data_image0
_chemical_formula_structural Ho2MgAg2W4O15
_chemical_formula_sum "Ho2 Mg1 Ag2 W4 O15"
_cell_length_a 7.46856282
_cell_length_b 8.0684189
_cell_length_c 7.43717596
_cell_angle_alpha 95.01467005
_cell_angle_beta 111.79078315999999
_cell_angle_gamma 120.0378453399... |
RemoveAtomAction | ff008e97-5396-4209-874d-b60e492ab40c | mp-758323 | Remove the atom at index 7 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li2Ti3CoP6O24
_chemical_formula_sum "Li2 Ti3 Co1 P6 O24"
_cell_length_a 8.64736777
_cell_length_b 8.64736777
_cell_length_c 8.6473677
_cell_angle_alpha 59.35002677
_cell_angle_beta 59.35002677
_cell_angle_gamma 59.35002351
_space_g... | data_image0
_chemical_formula_structural Li2Ti3CoP5O24
_chemical_formula_sum "Li2 Ti3 Co1 P5 O24"
_cell_length_a 8.64736777
_cell_length_b 8.64736777
_cell_length_c 8.6473677
_cell_angle_alpha 59.35002677
_cell_angle_beta 59.35002677
_cell_angle_gamma 59.35002351
_space_g... |
RemoveAtomAction | 0583a56d-9646-4b98-a2e3-ec75da936e8e | mp-1181784 | Remove the atom at index 3 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural K2MgMo2H4O10
_chemical_formula_sum "K2 Mg1 Mo2 H4 O10"
_cell_length_a 6.00896235
_cell_length_b 6.5502693999999995
_cell_length_c 7.9563935500000005
_cell_angle_alpha 111.39242719
_cell_angle_beta 96.77130034
_cell_angle_gamma 109.0... | data_image0
_chemical_formula_structural K2MgMoH4O10
_chemical_formula_sum "K2 Mg1 Mo1 H4 O10"
_cell_length_a 6.00896235
_cell_length_b 6.5502693999999995
_cell_length_c 7.9563935500000005
_cell_angle_alpha 111.39242719
_cell_angle_beta 96.77130034
_cell_angle_gamma 109.07... |
RemoveAtomAction | a8bc18ea-de55-464a-9b03-a177b8885884 | mp-6192 | Remove the atom at index 8 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ba2DySbO6
_chemical_formula_sum "Ba2 Dy1 Sb1 O6"
_cell_length_a 6.02709395
_cell_length_b 6.027093950000001
_cell_length_c 6.027093950000001
_cell_angle_alpha 60.00000000000001
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59... | data_image0
_chemical_formula_structural Ba2DySbO5
_chemical_formula_sum "Ba2 Dy1 Sb1 O5"
_cell_length_a 6.02709395
_cell_length_b 6.027093950000001
_cell_length_c 6.027093950000001
_cell_angle_alpha 60.00000000000001
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59... |
RemoveAtomAction | f247ab26-66d0-46c8-85be-88b1b862229e | mp-776235 | Remove the atom at index 5 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Zr8N8O4
_chemical_formula_sum "Zr8 N8 O4"
_cell_length_a 3.123818
_cell_length_b 5.575557
_cell_length_c 13.840907
_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_... | data_image0
_chemical_formula_structural Zr7N8O4
_chemical_formula_sum "Zr7 N8 O4"
_cell_length_a 3.123818
_cell_length_b 5.575557
_cell_length_c 13.840907
_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_... |
RemoveAtomAction | 075d35b2-fcae-4645-b783-5c1de70148b6 | mp-1206879 | Remove the atom at index 6 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural K3AuF6
_chemical_formula_sum "K3 Au1 F6"
_cell_length_a 6.98100443
_cell_length_b 8.31863474
_cell_length_c 7.00696936
_cell_angle_alpha 126.91821042999999
_cell_angle_beta 74.76018993
_cell_angle_gamma 98.19393981999998
_space_gro... | data_image0
_chemical_formula_structural K3AuF5
_chemical_formula_sum "K3 Au1 F5"
_cell_length_a 6.98100443
_cell_length_b 8.31863474
_cell_length_c 7.00696936
_cell_angle_alpha 126.91821042999999
_cell_angle_beta 74.76018993
_cell_angle_gamma 98.19393981999998
_space_gro... |
RemoveAtomAction | 4c067545-c3dc-42b0-aac5-335034c493e3 | mp-756638 | Remove the atom at index 2 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Nb2Rh2O8
_chemical_formula_sum "Nb2 Rh2 O8"
_cell_length_a 5.63372957
_cell_length_b 5.63372918
_cell_length_c 5.6337248
_cell_angle_alpha 106.66258274999998
_cell_angle_beta 106.66258935999998
_cell_angle_gamma 115.24752548999999
... | data_image0
_chemical_formula_structural Nb2RhO8
_chemical_formula_sum "Nb2 Rh1 O8"
_cell_length_a 5.63372957
_cell_length_b 5.63372918
_cell_length_c 5.6337248
_cell_angle_alpha 106.66258274999998
_cell_angle_beta 106.66258935999998
_cell_angle_gamma 115.24752548999999
_... |
RemoveAtomAction | c17004ca-9e1c-4218-893b-5df25e87f644 | mp-567505 | Remove the atom at index 8 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Si8C8
_chemical_formula_sum "Si8 C8"
_cell_length_a 3.07718443
_cell_length_b 3.0771829699999995
_cell_length_c 20.12563135
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99998351
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Si8C7
_chemical_formula_sum "Si8 C7"
_cell_length_a 3.07718443
_cell_length_b 3.0771829699999995
_cell_length_c 20.12563135
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99998351
_space_group_name_H-M_alt "P... |
RemoveAtomAction | a06075f0-0d9c-4682-a304-e836acc3aad0 | mp-755181 | Remove the atom at index 6 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural V4O5F7
_chemical_formula_sum "V4 O5 F7"
_cell_length_a 5.12574628
_cell_length_b 5.22331207
_cell_length_c 8.79028543
_cell_angle_alpha 74.68223174
_cell_angle_beta 90.24159362
_cell_angle_gamma 60.52764890000001
_space_group_name_... | data_image0
_chemical_formula_structural V4O4F7
_chemical_formula_sum "V4 O4 F7"
_cell_length_a 5.12574628
_cell_length_b 5.22331207
_cell_length_c 8.79028543
_cell_angle_alpha 74.68223174
_cell_angle_beta 90.24159362
_cell_angle_gamma 60.52764890000001
_space_group_name_... |
RemoveAtomAction | 7e8d3820-6653-4a1d-98a9-37337b61d623 | mp-559052 | Remove the atom at index 1 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li2Nb6Bi8O28
_chemical_formula_sum "Li2 Nb6 Bi8 O28"
_cell_length_a 7.6946639
_cell_length_b 7.6946639
_cell_length_c 12.25300206
_cell_angle_alpha 80.05054554
_cell_angle_beta 80.05054554
_cell_angle_gamma 60.84877041
_space_group... | data_image0
_chemical_formula_structural LiNb6Bi8O28
_chemical_formula_sum "Li1 Nb6 Bi8 O28"
_cell_length_a 7.6946639
_cell_length_b 7.6946639
_cell_length_c 12.25300206
_cell_angle_alpha 80.05054554
_cell_angle_beta 80.05054554
_cell_angle_gamma 60.84877041
_space_group_... |
RemoveAtomAction | 1d896dcf-dc01-4d67-aa93-b75c1367581e | mp-1095574 | Remove the atom at index 8 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ce4Ga4Ag4
_chemical_formula_sum "Ce4 Ga4 Ag4"
_cell_length_a 4.682808
_cell_length_b 7.476301
_cell_length_c 7.790775
_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 Ce4Ga4Ag3
_chemical_formula_sum "Ce4 Ga4 Ag3"
_cell_length_a 4.682808
_cell_length_b 7.476301
_cell_length_c 7.790775
_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... |
RemoveAtomAction | a0693abf-540a-4efb-9864-66231f55600d | mp-1228452 | Remove the atom at index 23 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ba3Ti3Fe3Bi2O18
_chemical_formula_sum "Ba3 Ti3 Fe3 Bi2 O18"
_cell_length_a 5.63716603
_cell_length_b 5.63716603
_cell_length_c 13.886766
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000038999998
_space_group... | data_image0
_chemical_formula_structural Ba3Ti3Fe3Bi2O17
_chemical_formula_sum "Ba3 Ti3 Fe3 Bi2 O17"
_cell_length_a 5.63716603
_cell_length_b 5.63716603
_cell_length_c 13.886766
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000038999998
_space_group... |
RemoveAtomAction | 0bf7dd5a-c964-4ba3-917b-bef0fbe050cb | mp-1203334 | Remove the atom at index 55 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural B4P4H36N12
_chemical_formula_sum "B4 P4 H36 N12"
_cell_length_a 9.675927
_cell_length_b 6.254514
_cell_length_c 9.71787723
_cell_angle_alpha 78.65079318
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural B4P4H36N11
_chemical_formula_sum "B4 P4 H36 N11"
_cell_length_a 9.675927
_cell_length_b 6.254514
_cell_length_c 9.71787723
_cell_angle_alpha 78.65079318
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
RemoveAtomAction | 07f072f9-ce3e-4f4a-819f-5caeae526db4 | mp-753577 | Remove the atom at index 20 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li2Co4P4O16
_chemical_formula_sum "Li2 Co4 P4 O16"
_cell_length_a 5.48537801
_cell_length_b 7.78633755
_cell_length_c 8.53874691
_cell_angle_alpha 103.7206634
_cell_angle_beta 90.00693515
_cell_angle_gamma 89.99930069
_space_group_... | data_image0
_chemical_formula_structural Li2Co4P4O15
_chemical_formula_sum "Li2 Co4 P4 O15"
_cell_length_a 5.48537801
_cell_length_b 7.78633755
_cell_length_c 8.53874691
_cell_angle_alpha 103.7206634
_cell_angle_beta 90.00693515
_cell_angle_gamma 89.99930069
_space_group_... |
RemoveAtomAction | a3c787bc-e0e1-46e9-ba32-836aca78b148 | mp-758186 | Remove the atom at index 13 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li12Fe4P8O32
_chemical_formula_sum "Li12 Fe4 P8 O32"
_cell_length_a 10.367151
_cell_length_b 8.217866
_cell_length_c 8.31371751
_cell_angle_alpha 74.95900952
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Li12Fe3P8O32
_chemical_formula_sum "Li12 Fe3 P8 O32"
_cell_length_a 10.367151
_cell_length_b 8.217866
_cell_length_c 8.31371751
_cell_angle_alpha 74.95900952
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
RemoveAtomAction | 6cdd159d-82a0-4298-a357-4fc1f71aafb0 | mp-1196543 | Remove the atom at index 32 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ga40Mo8C
_chemical_formula_sum "Ga40 Mo8 C1"
_cell_length_a 9.5569173
_cell_length_b 9.5569173
_cell_length_c 9.55691725
_cell_angle_alpha 94.10402885
_cell_angle_beta 94.10402885
_cell_angle_gamma 94.10402928
_space_group_name_H-M... | data_image0
_chemical_formula_structural Ga39Mo8C
_chemical_formula_sum "Ga39 Mo8 C1"
_cell_length_a 9.5569173
_cell_length_b 9.5569173
_cell_length_c 9.55691725
_cell_angle_alpha 94.10402885
_cell_angle_beta 94.10402885
_cell_angle_gamma 94.10402928
_space_group_name_H-M... |
RemoveAtomAction | 85780724-49bf-4138-b4d5-b136faabd0a9 | mp-625502 | Remove the atom at index 6 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural H4W4O14
_chemical_formula_sum "H4 W4 O14"
_cell_length_a 7.35320502
_cell_length_b 7.35320502
_cell_length_c 7.35320502
_cell_angle_alpha 119.62842942999998
_cell_angle_beta 119.62842942999998
_cell_angle_gamma 90.64479304999999
_s... | data_image0
_chemical_formula_structural H4W3O14
_chemical_formula_sum "H4 W3 O14"
_cell_length_a 7.35320502
_cell_length_b 7.35320502
_cell_length_c 7.35320502
_cell_angle_alpha 119.62842942999998
_cell_angle_beta 119.62842942999998
_cell_angle_gamma 90.64479304999999
_s... |
RemoveAtomAction | 8b1ee66e-df5b-4846-add3-441c8753b861 | mp-780492 | Remove the atom at index 0 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li4VP6H8O22
_chemical_formula_sum "Li4 V1 P6 H8 O22"
_cell_length_a 7.001583
_cell_length_b 7.55078302
_cell_length_c 8.50755926
_cell_angle_alpha 84.74528847
_cell_angle_beta 76.60182785999999
_cell_angle_gamma 85.81388336000002
_... | data_image0
_chemical_formula_structural Li3VP6H8O22
_chemical_formula_sum "Li3 V1 P6 H8 O22"
_cell_length_a 7.001583
_cell_length_b 7.55078302
_cell_length_c 8.50755926
_cell_angle_alpha 84.74528847
_cell_angle_beta 76.60182785999999
_cell_angle_gamma 85.81388336000002
_... |
RemoveAtomAction | 6f939b14-75fa-42fd-9cba-062180417312 | mp-1204112 | Remove the atom at index 38 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sn2H8S12N12Cl12
_chemical_formula_sum "Sn2 H8 S12 N12 Cl12"
_cell_length_a 13.290174
_cell_length_b 7.36416
_cell_length_c 11.930420559999998
_cell_angle_alpha 57.87495880999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_g... | data_image0
_chemical_formula_structural Sn2H8S12N12Cl11
_chemical_formula_sum "Sn2 H8 S12 N12 Cl11"
_cell_length_a 13.290174
_cell_length_b 7.36416
_cell_length_c 11.930420559999998
_cell_angle_alpha 57.87495880999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_g... |
RemoveAtomAction | 46ac0ad6-7e1f-4ae4-9c0b-893e99a1dd7e | mp-29452 | Remove the atom at index 19 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sc8B2Cl12
_chemical_formula_sum "Sc8 B2 Cl12"
_cell_length_a 3.60292348
_cell_length_b 11.85957314
_cell_length_c 12.279586710000002
_cell_angle_alpha 89.99905886
_cell_angle_beta 90.00002933
_cell_angle_gamma 89.99999559999999
_sp... | data_image0
_chemical_formula_structural Sc8B2Cl11
_chemical_formula_sum "Sc8 B2 Cl11"
_cell_length_a 3.60292348
_cell_length_b 11.85957314
_cell_length_c 12.279586710000002
_cell_angle_alpha 89.99905886
_cell_angle_beta 90.00002933
_cell_angle_gamma 89.99999559999999
_sp... |
RemoveAtomAction | 41703c30-98dc-4250-a273-bc6a9529eafa | mp-1209131 | Remove the atom at index 49 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sn27Pd39
_chemical_formula_sum "Sn27 Pd39"
_cell_length_a 8.98541109
_cell_length_b 8.98541109
_cell_length_c 17.134762
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999327
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural Sn27Pd38
_chemical_formula_sum "Sn27 Pd38"
_cell_length_a 8.98541109
_cell_length_b 8.98541109
_cell_length_c 17.134762
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999327
_space_group_name_H-M_alt "P 1"
... |
RemoveAtomAction | 09a63c8f-9f18-40aa-861f-4c47792c0b8b | mp-1245513 | Remove the atom at index 24 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Fe16Te12N8
_chemical_formula_sum "Fe16 Te12 N8"
_cell_length_a 6.179044
_cell_length_b 10.515917
_cell_length_c 9.10105
_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 Fe16Te11N8
_chemical_formula_sum "Fe16 Te11 N8"
_cell_length_a 6.179044
_cell_length_b 10.515917
_cell_length_c 9.10105
_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... |
RemoveAtomAction | 936356e4-1418-44ad-90b0-f3c5e8eb3d84 | mp-1207969 | Remove the atom at index 10 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Y2Co2C12N12O10
_chemical_formula_sum "Y2 Co2 C12 N12 O10"
_cell_length_a 7.57012786
_cell_length_b 7.57012786
_cell_length_c 12.859381
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999880000001
_space_group_n... | data_image0
_chemical_formula_structural Y2Co2C11N12O10
_chemical_formula_sum "Y2 Co2 C11 N12 O10"
_cell_length_a 7.57012786
_cell_length_b 7.57012786
_cell_length_c 12.859381
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999880000001
_space_group_n... |
RemoveAtomAction | 9ec8ca35-bcfa-435f-80aa-29e9dbf1bf2b | mp-773191 | Remove the atom at index 5 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li6Cr3Sb3O16
_chemical_formula_sum "Li6 Cr3 Sb3 O16"
_cell_length_a 6.04711615
_cell_length_b 6.04711615
_cell_length_c 10.02636895
_cell_angle_alpha 89.85000666000002
_cell_angle_beta 89.85000666000002
_cell_angle_gamma 60.31100107... | data_image0
_chemical_formula_structural Li5Cr3Sb3O16
_chemical_formula_sum "Li5 Cr3 Sb3 O16"
_cell_length_a 6.04711615
_cell_length_b 6.04711615
_cell_length_c 10.02636895
_cell_angle_alpha 89.85000666000002
_cell_angle_beta 89.85000666000002
_cell_angle_gamma 60.31100107... |
RemoveAtomAction | 269a4608-a29c-4b30-b80a-68faae5b9c65 | mp-776267 | Remove the atom at index 27 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li4Mn3Cr3W2O16
_chemical_formula_sum "Li4 Mn3 Cr3 W2 O16"
_cell_length_a 6.03107707
_cell_length_b 6.03107707
_cell_length_c 9.78220422
_cell_angle_alpha 88.63430513
_cell_angle_beta 88.63430513
_cell_angle_gamma 60.00148019000001
... | data_image0
_chemical_formula_structural Li4Mn3Cr3W2O15
_chemical_formula_sum "Li4 Mn3 Cr3 W2 O15"
_cell_length_a 6.03107707
_cell_length_b 6.03107707
_cell_length_c 9.78220422
_cell_angle_alpha 88.63430513
_cell_angle_beta 88.63430513
_cell_angle_gamma 60.00148019000001
... |
RemoveAtomAction | 484bac01-47d1-4b6f-ad89-3e2420914f0a | mp-1103066 | Remove the atom at index 3 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sm4Si4Pd4
_chemical_formula_sum "Sm4 Si4 Pd4"
_cell_length_a 4.326026
_cell_length_b 7.167704
_cell_length_c 7.673634
_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 Sm3Si4Pd4
_chemical_formula_sum "Sm3 Si4 Pd4"
_cell_length_a 4.326026
_cell_length_b 7.167704
_cell_length_c 7.673634
_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... |
RemoveAtomAction | 7c05de26-5798-4b09-8ae9-9606ab6a7c18 | mp-1019788 | Remove the atom at index 17 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural K8Al6Si6O24
_chemical_formula_sum "K8 Al6 Si6 O24"
_cell_length_a 9.36018
_cell_length_b 9.36018
_cell_length_c 9.36018
_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 K8Al6Si5O24
_chemical_formula_sum "K8 Al6 Si5 O24"
_cell_length_a 9.36018
_cell_length_b 9.36018
_cell_length_c 9.36018
_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... |
RemoveAtomAction | 41a1c0b2-16f8-472c-8354-43cec8fa300b | mp-23414 | Remove the atom at index 14 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sc8N2Cl12
_chemical_formula_sum "Sc8 N2 Cl12"
_cell_length_a 3.49215082
_cell_length_b 11.55839449
_cell_length_c 12.06368771
_cell_angle_alpha 90.00014313999999
_cell_angle_beta 90.0000846
_cell_angle_gamma 89.99996687
_space_grou... | data_image0
_chemical_formula_structural Sc8N2Cl11
_chemical_formula_sum "Sc8 N2 Cl11"
_cell_length_a 3.49215082
_cell_length_b 11.55839449
_cell_length_c 12.06368771
_cell_angle_alpha 90.00014313999999
_cell_angle_beta 90.0000846
_cell_angle_gamma 89.99996687
_space_grou... |
RemoveAtomAction | 79f67496-8528-4efb-9efd-08c12926a3c7 | mp-1221127 | Remove the atom at index 55 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Na2U8V6O40
_chemical_formula_sum "Na2 U8 V6 O40"
_cell_length_a 7.33532564
_cell_length_b 7.335325640000001
_cell_length_c 18.084419980000003
_cell_angle_alpha 78.43447669
_cell_angle_beta 78.43447669
_cell_angle_gamma 89.99990058
... | data_image0
_chemical_formula_structural Na2U8V6O39
_chemical_formula_sum "Na2 U8 V6 O39"
_cell_length_a 7.33532564
_cell_length_b 7.335325640000001
_cell_length_c 18.084419980000003
_cell_angle_alpha 78.43447669
_cell_angle_beta 78.43447669
_cell_angle_gamma 89.99990058
... |
RemoveAtomAction | 7a5e7766-4965-4285-9504-4225660d9cb2 | mp-29075 | Remove the atom at index 20 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ga6Bi10Cl24
_chemical_formula_sum "Ga6 Bi10 Cl24"
_cell_length_a 12.22153651
_cell_length_b 12.22153651
_cell_length_c 12.22153664
_cell_angle_alpha 58.18940720000001
_cell_angle_beta 58.1894072
_cell_angle_gamma 58.18940156
_space... | data_image0
_chemical_formula_structural Ga6Bi10Cl23
_chemical_formula_sum "Ga6 Bi10 Cl23"
_cell_length_a 12.22153651
_cell_length_b 12.22153651
_cell_length_c 12.22153664
_cell_angle_alpha 58.18940720000001
_cell_angle_beta 58.1894072
_cell_angle_gamma 58.18940156
_space... |
RemoveAtomAction | 031734f1-64f3-446e-b602-f83532b8788d | mp-1239191 | Remove the atom at index 6 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Cs4Cr8S16
_chemical_formula_sum "Cs4 Cr8 S16"
_cell_length_a 3.594919
_cell_length_b 12.069073
_cell_length_c 13.287917
_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 Cs4Cr7S16
_chemical_formula_sum "Cs4 Cr7 S16"
_cell_length_a 3.594919
_cell_length_b 12.069073
_cell_length_c 13.287917
_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... |
RemoveAtomAction | abec23ea-5df1-4498-947b-62fd442372eb | mp-769513 | Remove the atom at index 17 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li8Ti6Mn12O36
_chemical_formula_sum "Li8 Ti6 Mn12 O36"
_cell_length_a 2.909353
_cell_length_b 9.043173
_cell_length_c 25.924114
_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 Li8Ti6Mn11O36
_chemical_formula_sum "Li8 Ti6 Mn11 O36"
_cell_length_a 2.909353
_cell_length_b 9.043173
_cell_length_c 25.924114
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... |
RemoveAtomAction | 58fd00d2-ff36-4285-8990-135945516a04 | mp-1228744 | Remove the atom at index 4 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ba6V8P12O48
_chemical_formula_sum "Ba6 V8 P12 O48"
_cell_length_a 10.082441
_cell_length_b 10.050738
_cell_length_c 10.07723152
_cell_angle_alpha 89.82967992
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ba5V8P12O48
_chemical_formula_sum "Ba5 V8 P12 O48"
_cell_length_a 10.082441
_cell_length_b 10.050738
_cell_length_c 10.07723152
_cell_angle_alpha 89.82967992
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
RemoveAtomAction | 8ca9d97c-f83e-4faf-829f-e079fa17dbe8 | mp-28092 | Remove the atom at index 84 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural B40H52O2
_chemical_formula_sum "B40 H52 O2"
_cell_length_a 13.41078563
_cell_length_b 13.41078563
_cell_length_c 10.39757687
_cell_angle_alpha 84.05207654
_cell_angle_beta 84.05207654
_cell_angle_gamma 33.33214107
_space_group_name... | data_image0
_chemical_formula_structural B40H51O2
_chemical_formula_sum "B40 H51 O2"
_cell_length_a 13.41078563
_cell_length_b 13.41078563
_cell_length_c 10.39757687
_cell_angle_alpha 84.05207654
_cell_angle_beta 84.05207654
_cell_angle_gamma 33.33214107
_space_group_name... |
RemoveAtomAction | 251c049b-8b92-464b-acbc-a564d5c3807c | mp-727103 | Remove the atom at index 13 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ba2CuC6O16
_chemical_formula_sum "Ba2 Cu1 C6 O16"
_cell_length_a 6.775689
_cell_length_b 7.7992645000000005
_cell_length_c 9.83479338
_cell_angle_alpha 70.13118492
_cell_angle_beta 82.35314984
_cell_angle_gamma 83.34399386000001
_s... | data_image0
_chemical_formula_structural Ba2CuC6O15
_chemical_formula_sum "Ba2 Cu1 C6 O15"
_cell_length_a 6.775689
_cell_length_b 7.7992645000000005
_cell_length_c 9.83479338
_cell_angle_alpha 70.13118492
_cell_angle_beta 82.35314984
_cell_angle_gamma 83.34399386000001
_s... |
RemoveAtomAction | 57b70560-581c-4a23-94af-7f86c56dd392 | mp-1245016 | Remove the atom at index 42 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Cr24Fe8O48
_chemical_formula_sum "Cr24 Fe8 O48"
_cell_length_a 10.06045022
_cell_length_b 9.24392109
_cell_length_c 10.80210828
_cell_angle_alpha 89.0298009
_cell_angle_beta 81.14865852000001
_cell_angle_gamma 91.44994278
_space_gr... | data_image0
_chemical_formula_structural Cr24Fe8O47
_chemical_formula_sum "Cr24 Fe8 O47"
_cell_length_a 10.06045022
_cell_length_b 9.24392109
_cell_length_c 10.80210828
_cell_angle_alpha 89.0298009
_cell_angle_beta 81.14865852000001
_cell_angle_gamma 91.44994278
_space_gr... |
RemoveAtomAction | 8402ac49-7074-47cb-a988-af3724bcdbbf | mp-1104301 | Remove the atom at index 0 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural K3Pb2Cl8
_chemical_formula_sum "K3 Pb2 Cl8"
_cell_length_a 8.690223
_cell_length_b 8.99889746
_cell_length_c 9.01920649
_cell_angle_alpha 61.515895809999996
_cell_angle_beta 61.3617369
_cell_angle_gamma 61.98674132000001
_space_gro... | data_image0
_chemical_formula_structural K2Pb2Cl8
_chemical_formula_sum "K2 Pb2 Cl8"
_cell_length_a 8.690223
_cell_length_b 8.99889746
_cell_length_c 9.01920649
_cell_angle_alpha 61.515895809999996
_cell_angle_beta 61.3617369
_cell_angle_gamma 61.98674132000001
_space_gro... |
RemoveAtomAction | 53d5f56b-f1d4-4eba-b5b1-c77a74670f02 | mp-1199395 | Remove the atom at index 34 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Zr4O12F20
_chemical_formula_sum "Zr4 O12 F20"
_cell_length_a 16.97047429
_cell_length_b 16.53675226
_cell_length_c 6.08330734
_cell_angle_alpha 83.58662603000002
_cell_angle_beta 75.54508631
_cell_angle_gamma 20.868287659999996
_sp... | data_image0
_chemical_formula_structural Zr4O12F19
_chemical_formula_sum "Zr4 O12 F19"
_cell_length_a 16.97047429
_cell_length_b 16.53675226
_cell_length_c 6.08330734
_cell_angle_alpha 83.58662603000002
_cell_angle_beta 75.54508631
_cell_angle_gamma 20.868287659999996
_sp... |
RemoveAtomAction | 24648fd9-31c2-4541-8fa3-a33297453e4f | mp-33546 | Remove the atom at index 1 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Fe4Cu2O8
_chemical_formula_sum "Fe4 Cu2 O8"
_cell_length_a 6.05119866
_cell_length_b 6.05119736
_cell_length_c 5.97388687
_cell_angle_alpha 119.89748608
_cell_angle_beta 119.89749192
_cell_angle_gamma 90.54960672999998
_space_group... | data_image0
_chemical_formula_structural Fe3Cu2O8
_chemical_formula_sum "Fe3 Cu2 O8"
_cell_length_a 6.05119866
_cell_length_b 6.05119736
_cell_length_c 5.97388687
_cell_angle_alpha 119.89748608
_cell_angle_beta 119.89749192
_cell_angle_gamma 90.54960672999998
_space_group... |
RemoveAtomAction | d8b951c2-6fd4-4288-8728-1559f2d1c57a | mp-757949 | Remove the atom at index 13 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li4Fe8C8O28
_chemical_formula_sum "Li4 Fe8 C8 O28"
_cell_length_a 5.989784
_cell_length_b 9.33102
_cell_length_c 10.445336550000002
_cell_angle_alpha 64.01902233999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_... | data_image0
_chemical_formula_structural Li4Fe8C7O28
_chemical_formula_sum "Li4 Fe8 C7 O28"
_cell_length_a 5.989784
_cell_length_b 9.33102
_cell_length_c 10.445336550000002
_cell_angle_alpha 64.01902233999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_... |
RemoveAtomAction | d9d7782f-2418-4172-a9c1-d7a6a80b9c81 | mp-2231666 | Remove the atom at index 11 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural MgTiMnV4O12
_chemical_formula_sum "Mg1 Ti1 Mn1 V4 O12"
_cell_length_a 7.20376509
_cell_length_b 7.20367883
_cell_length_c 5.62995181
_cell_angle_alpha 79.42523223
_cell_angle_beta 100.57141359
_cell_angle_gamma 99.07126477999999
_s... | data_image0
_chemical_formula_structural MgTiMnV4O11
_chemical_formula_sum "Mg1 Ti1 Mn1 V4 O11"
_cell_length_a 7.20376509
_cell_length_b 7.20367883
_cell_length_c 5.62995181
_cell_angle_alpha 79.42523223
_cell_angle_beta 100.57141359
_cell_angle_gamma 99.07126477999999
_s... |
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