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 | 4115e82f-b845-4c86-833b-be8bf3723acd | mp-672256 | Insert a Kr atom in the line between atoms at indices 23 and 26, and the inserted atom must be 4.13 angstrom from atom at 23 in the cif file. | data_image0
_chemical_formula_structural Y20Ga12
_chemical_formula_sum "Y20 Ga12"
_cell_length_a 7.6455743
_cell_length_b 7.6455743
_cell_length_c 14.16449461
_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 Y20Ga12Kr
_chemical_formula_sum "Y20 Ga12 Kr1"
_cell_length_a 7.6455743
_cell_length_b 7.6455743
_cell_length_c 14.16449461
_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 | 9c1171a7-5e32-495c-8195-5a4a16d5389d | mp-1096957 | Insert a Au atom in the line between atoms at indices 35 and 51, and the inserted atom must be 1.85 angstrom from atom at 35 in the cif file. | data_image0
_chemical_formula_structural Cr24N48
_chemical_formula_sum "Cr24 N48"
_cell_length_a 5.55733
_cell_length_b 9.009159
_cell_length_c 29.151278
_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... | data_image0
_chemical_formula_structural Cr24N48Au
_chemical_formula_sum "Cr24 N48 Au1"
_cell_length_a 5.55733
_cell_length_b 9.009159
_cell_length_c 29.151278
_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... |
InsertBetweenAtomsAction | 3dfcbe27-537c-4364-9106-2d14f739530e | mp-935148 | Insert a At atom in the line between atoms at indices 24 and 36, and the inserted atom must be 4.48 angstrom from atom at 24 in the cif file. | data_image0
_chemical_formula_structural Mg20Zn35
_chemical_formula_sum "Mg20 Zn35"
_cell_length_a 13.15153151
_cell_length_b 13.151531510000002
_cell_length_c 14.14062752
_cell_angle_alpha 77.68749914
_cell_angle_beta 77.68749914
_cell_angle_gamma 23.190281420000012
_spa... | data_image0
_chemical_formula_structural Mg20Zn35At
_chemical_formula_sum "Mg20 Zn35 At1"
_cell_length_a 13.15153151
_cell_length_b 13.151531510000002
_cell_length_c 14.14062752
_cell_angle_alpha 77.68749914
_cell_angle_beta 77.68749914
_cell_angle_gamma 23.190281420000012... |
InsertBetweenAtomsAction | 185ab4db-5e57-47cf-b167-04ae952cd8dd | mp-755023 | Insert a Ir atom in the line between atoms at indices 8 and 7, and the inserted atom must be 0.80 angstrom from atom at 8 in the cif file. | data_image0
_chemical_formula_structural Mg2Mn3O8
_chemical_formula_sum "Mg2 Mn3 O8"
_cell_length_a 5.82429502
_cell_length_b 5.82429502
_cell_length_c 4.80445645
_cell_angle_alpha 72.93029128
_cell_angle_beta 107.06970872
_cell_angle_gamma 121.61605819
_space_group_name_... | data_image0
_chemical_formula_structural Mg2Mn3O8Ir
_chemical_formula_sum "Mg2 Mn3 O8 Ir1"
_cell_length_a 5.82429502
_cell_length_b 5.82429502
_cell_length_c 4.80445645
_cell_angle_alpha 72.93029128
_cell_angle_beta 107.06970872
_cell_angle_gamma 121.61605819
_space_group... |
InsertBetweenAtomsAction | e6530fdf-b5bd-4817-b725-95098ee9bf81 | mp-1105449 | Insert a Zn atom in the line between atoms at indices 3 and 15, and the inserted atom must be 2.24 angstrom from atom at 3 in the cif file. | data_image0
_chemical_formula_structural Sm2Tl2P4Se12
_chemical_formula_sum "Sm2 Tl2 P4 Se12"
_cell_length_a 7.755927
_cell_length_b 6.911998
_cell_length_c 10.35507989
_cell_angle_alpha 88.99944141999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Sm2Tl2P4Se12Zn
_chemical_formula_sum "Sm2 Tl2 P4 Se12 Zn1"
_cell_length_a 7.755927
_cell_length_b 6.911998
_cell_length_c 10.35507989
_cell_angle_alpha 88.99944141999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_nam... |
InsertBetweenAtomsAction | 939da50e-80e5-4b92-bf2a-2238b9470215 | mp-1178408 | Insert a Pt atom in the line between atoms at indices 10 and 0, and the inserted atom must be 1.23 angstrom from atom at 10 in the cif file. | data_image0
_chemical_formula_structural Cs8Hf4O12
_chemical_formula_sum "Cs8 Hf4 O12"
_cell_length_a 6.508997
_cell_length_b 7.293960569999999
_cell_length_c 14.537729
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 116.4995589
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Cs8Hf4O12Pt
_chemical_formula_sum "Cs8 Hf4 O12 Pt1"
_cell_length_a 6.508997
_cell_length_b 7.293960569999999
_cell_length_c 14.537729
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 116.4995589
_space_group_name_H-M_... |
InsertBetweenAtomsAction | 765b136a-0d5f-4e29-8583-a0e22038d273 | mp-1569720 | Insert a Ni atom in the line between atoms at indices 3 and 9, and the inserted atom must be 1.31 angstrom from atom at 3 in the cif file. | data_image0
_chemical_formula_structural Li4Si4Ni2O12
_chemical_formula_sum "Li4 Si4 Ni2 O12"
_cell_length_a 5.12306407
_cell_length_b 10.43044348
_cell_length_c 5.12760704
_cell_angle_alpha 104.44993766000002
_cell_angle_beta 90.72066576999998
_cell_angle_gamma 75.5191547... | data_image0
_chemical_formula_structural Li4Si4Ni2O12Ni
_chemical_formula_sum "Li4 Si4 Ni3 O12"
_cell_length_a 5.12306407
_cell_length_b 10.43044348
_cell_length_c 5.12760704
_cell_angle_alpha 104.44993766000002
_cell_angle_beta 90.72066576999998
_cell_angle_gamma 75.51915... |
InsertBetweenAtomsAction | 51a66ff9-9419-4107-b2c7-3b792803f01e | mp-1185672 | Insert a Lv atom in the line between atoms at indices 6 and 12, and the inserted atom must be 2.61 angstrom from atom at 6 in the cif file. | data_image0
_chemical_formula_structural Mg16Al12H
_chemical_formula_sum "Mg16 Al12 H1"
_cell_length_a 9.10495516
_cell_length_b 9.10495516
_cell_length_c 9.06015584
_cell_angle_alpha 70.47656207
_cell_angle_beta 70.47656207
_cell_angle_gamma 109.49636402000002
_space_gro... | data_image0
_chemical_formula_structural Mg16Al12HLv
_chemical_formula_sum "Mg16 Al12 H1 Lv1"
_cell_length_a 9.10495516
_cell_length_b 9.10495516
_cell_length_c 9.06015584
_cell_angle_alpha 70.47656207
_cell_angle_beta 70.47656207
_cell_angle_gamma 109.49636402000002
_spa... |
InsertBetweenAtomsAction | a8f8d875-6505-4445-a56b-35be6f5c27bf | mp-757897 | Insert a Dy atom in the line between atoms at indices 47 and 52, and the inserted atom must be 0.68 angstrom from atom at 47 in the cif file. | data_image0
_chemical_formula_structural Li8Fe12Co4O32
_chemical_formula_sum "Li8 Fe12 Co4 O32"
_cell_length_a 8.101068
_cell_length_b 8.101068
_cell_length_c 8.101068
_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 Li8Fe12Co4O32Dy
_chemical_formula_sum "Li8 Fe12 Co4 O32 Dy1"
_cell_length_a 8.101068
_cell_length_b 8.101068
_cell_length_c 8.101068
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... |
InsertBetweenAtomsAction | ac4c63b8-9476-4048-b764-f82bea7e25d1 | mp-1212427 | Insert a Ce atom in the line between atoms at indices 3 and 4, and the inserted atom must be 1.01 angstrom from atom at 3 in the cif file. | data_image0
_chemical_formula_structural Ho8Co2
_chemical_formula_sum "Ho8 Co2"
_cell_length_a 7.44397896
_cell_length_b 7.44397896
_cell_length_c 7.44397896
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
_space_... | data_image0
_chemical_formula_structural Ho8Co2Ce
_chemical_formula_sum "Ho8 Co2 Ce1"
_cell_length_a 7.44397896
_cell_length_b 7.44397896
_cell_length_c 7.44397896
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
_... |
InsertBetweenAtomsAction | 1d3fc51e-c79b-4e96-a56a-92eb529d13ae | mp-1853 | Insert a Th atom in the line between atoms at indices 3 and 15, and the inserted atom must be 2.56 angstrom from atom at 3 in the cif file. | data_image0
_chemical_formula_structural Sr6P28
_chemical_formula_sum "Sr6 P28"
_cell_length_a 6.36835152
_cell_length_b 9.92603614
_cell_length_c 12.8016994
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 89.80179759
_space_group_name_H-M_alt "P 1"
_spa... | data_image0
_chemical_formula_structural Sr6P28Th
_chemical_formula_sum "Sr6 P28 Th1"
_cell_length_a 6.36835152
_cell_length_b 9.92603614
_cell_length_c 12.8016994
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 89.80179759
_space_group_name_H-M_alt "P 1... |
InsertBetweenAtomsAction | dbf2ccd1-3318-47a0-8de0-4a0d26955d1f | mp-1047 | Insert a Rb atom in the line between atoms at indices 1 and 9, and the inserted atom must be 1.31 angstrom from atom at 1 in the cif file. | data_image0
_chemical_formula_structural Ca6N4
_chemical_formula_sum "Ca6 N4"
_cell_length_a 6.57503857
_cell_length_b 6.57503757
_cell_length_c 6.575037730000001
_cell_angle_alpha 56.04671973000001
_cell_angle_beta 56.04673021
_cell_angle_gamma 56.046734570000005
_space_... | data_image0
_chemical_formula_structural Ca6N4Rb
_chemical_formula_sum "Ca6 N4 Rb1"
_cell_length_a 6.57503857
_cell_length_b 6.57503757
_cell_length_c 6.575037730000001
_cell_angle_alpha 56.04671973000001
_cell_angle_beta 56.04673021
_cell_angle_gamma 56.046734570000005
_... |
InsertBetweenAtomsAction | 7f1f074f-bc1e-40c5-9775-01713395cc69 | mp-1224058 | Insert a Mo atom in the line between atoms at indices 10 and 15, and the inserted atom must be 2.28 angstrom from atom at 10 in the cif file. | data_image0
_chemical_formula_structural Ho6S2O2F10
_chemical_formula_sum "Ho6 S2 O2 F10"
_cell_length_a 3.674433
_cell_length_b 9.372114
_cell_length_c 9.42408047
_cell_angle_alpha 60.43770842000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ho6S2O2F10Mo
_chemical_formula_sum "Ho6 S2 O2 F10 Mo1"
_cell_length_a 3.674433
_cell_length_b 9.372114
_cell_length_c 9.42408047
_cell_angle_alpha 60.43770842000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M... |
InsertBetweenAtomsAction | 6f810541-3a6c-470a-b3c5-3dfb0f9755e7 | mp-2901360 | Insert a Sr atom in the line between atoms at indices 7 and 5, and the inserted atom must be 2.24 angstrom from atom at 7 in the cif file. | data_image0
_chemical_formula_structural Ca2I4O8
_chemical_formula_sum "Ca2 I4 O8"
_cell_length_a 9.42743655
_cell_length_b 3.75674854
_cell_length_c 7.122865850000001
_cell_angle_alpha 79.45788314
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ca2I4O8Sr
_chemical_formula_sum "Ca2 I4 O8 Sr1"
_cell_length_a 9.42743655
_cell_length_b 3.75674854
_cell_length_c 7.122865850000001
_cell_angle_alpha 79.45788314
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_a... |
InsertBetweenAtomsAction | 043ab5af-550b-43f9-9b6a-6f3106501115 | mp-1201219 | Insert a Bh atom in the line between atoms at indices 8 and 12, and the inserted atom must be 0.81 angstrom from atom at 8 in the cif file. | data_image0
_chemical_formula_structural V2H20Se2N2O18
_chemical_formula_sum "V2 H20 Se2 N2 O18"
_cell_length_a 10.192343
_cell_length_b 6.453246
_cell_length_c 6.96197425
_cell_angle_alpha 71.20626341
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural V2H20Se2N2O18Bh
_chemical_formula_sum "V2 H20 Se2 N2 O18 Bh1"
_cell_length_a 10.192343
_cell_length_b 6.453246
_cell_length_c 6.96197425
_cell_angle_alpha 71.20626341
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H... |
InsertBetweenAtomsAction | 72208b04-78bc-4f38-8b2a-a8e5c0394a58 | mp-2217908 | Insert a Ho atom in the line between atoms at indices 2 and 0, and the inserted atom must be 2.23 angstrom from atom at 2 in the cif file. | data_image0
_chemical_formula_structural MgCd2Co2O6
_chemical_formula_sum "Mg1 Cd2 Co2 O6"
_cell_length_a 6.21992716
_cell_length_b 6.22011824
_cell_length_c 6.21995203
_cell_angle_alpha 48.15589181999999
_cell_angle_beta 48.1563082
_cell_angle_gamma 48.15577986
_space_gr... | data_image0
_chemical_formula_structural MgCd2Co2O6Ho
_chemical_formula_sum "Mg1 Cd2 Co2 O6 Ho1"
_cell_length_a 6.21992716
_cell_length_b 6.22011824
_cell_length_c 6.21995203
_cell_angle_alpha 48.15589181999999
_cell_angle_beta 48.1563082
_cell_angle_gamma 48.15577986
_sp... |
InsertBetweenAtomsAction | 0a07d90b-2c20-4ee0-8b7b-bb758e071f75 | mp-18010 | Insert a B atom in the line between atoms at indices 7 and 20, and the inserted atom must be 3.17 angstrom from atom at 7 in the cif file. | data_image0
_chemical_formula_structural Ta4Pd6Se16
_chemical_formula_sum "Ta4 Pd6 Se16"
_cell_length_a 3.58290865
_cell_length_b 11.12606605
_cell_length_c 15.47467255
_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 Ta4Pd6Se16B
_chemical_formula_sum "Ta4 Pd6 Se16 B1"
_cell_length_a 3.58290865
_cell_length_b 11.12606605
_cell_length_c 15.47467255
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... |
InsertBetweenAtomsAction | 1f8c7d9f-4a05-4450-9a52-1f3f33344556 | mp-541520 | Insert a Ts atom in the line between atoms at indices 0 and 9, and the inserted atom must be 8.56 angstrom from atom at 0 in the cif file. | data_image0
_chemical_formula_structural K2V6Se4O24
_chemical_formula_sum "K2 V6 Se4 O24"
_cell_length_a 7.15859961
_cell_length_b 7.15859961
_cell_length_c 11.932191
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999635000002
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural K2V6Se4O24Ts
_chemical_formula_sum "K2 V6 Se4 O24 Ts1"
_cell_length_a 7.15859961
_cell_length_b 7.15859961
_cell_length_c 11.932191
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999635000002
_space_group_name... |
InsertBetweenAtomsAction | b4b7fd4b-0b46-422f-a17b-732683a4388e | mp-3536 | Insert a Rn atom in the line between atoms at indices 2 and 9, and the inserted atom must be 0.95 angstrom from atom at 2 in the cif file. | data_image0
_chemical_formula_structural Mg2Al4O8
_chemical_formula_sum "Mg2 Al4 O8"
_cell_length_a 5.7136991
_cell_length_b 5.7136987
_cell_length_c 5.713699650000001
_cell_angle_alpha 60.000006019999994
_cell_angle_beta 60.00000836
_cell_angle_gamma 60.00000319999999
_s... | data_image0
_chemical_formula_structural Mg2Al4O8Rn
_chemical_formula_sum "Mg2 Al4 O8 Rn1"
_cell_length_a 5.7136991
_cell_length_b 5.7136987
_cell_length_c 5.713699650000001
_cell_angle_alpha 60.000006019999994
_cell_angle_beta 60.00000836
_cell_angle_gamma 60.000003199999... |
InsertBetweenAtomsAction | 0475aae1-0b1a-40e0-9779-81d2cf9be9d2 | mp-1518357 | Insert a Rh atom in the line between atoms at indices 1 and 4, and the inserted atom must be 1.74 angstrom from atom at 1 in the cif file. | data_image0
_chemical_formula_structural Eu2HfNbO6
_chemical_formula_sum "Eu2 Hf1 Nb1 O6"
_cell_length_a 5.7699676
_cell_length_b 5.76996713
_cell_length_c 5.76996979
_cell_angle_alpha 59.99999019
_cell_angle_beta 59.99998203999999
_cell_angle_gamma 60.00002777
_space_gro... | data_image0
_chemical_formula_structural Eu2HfNbO6Rh
_chemical_formula_sum "Eu2 Hf1 Nb1 O6 Rh1"
_cell_length_a 5.7699676
_cell_length_b 5.76996713
_cell_length_c 5.76996979
_cell_angle_alpha 59.99999019
_cell_angle_beta 59.99998203999999
_cell_angle_gamma 60.00002777
_spa... |
InsertBetweenAtomsAction | 300d89da-4666-4ce4-b14a-e3caea670ec7 | mp-1226598 | Insert a Yb atom in the line between atoms at indices 2 and 4, and the inserted atom must be 5.67 angstrom from atom at 2 in the cif file. | data_image0
_chemical_formula_structural CeTh3O8
_chemical_formula_sum "Ce1 Th3 O8"
_cell_length_a 13.02289748
_cell_length_b 13.02289748
_cell_length_c 13.02289643
_cell_angle_alpha 17.38526101000004
_cell_angle_beta 17.38526101
_cell_angle_gamma 17.385260550000027
_spac... | data_image0
_chemical_formula_structural CeTh3O8Yb
_chemical_formula_sum "Ce1 Th3 O8 Yb1"
_cell_length_a 13.02289748
_cell_length_b 13.02289748
_cell_length_c 13.02289643
_cell_angle_alpha 17.38526101000004
_cell_angle_beta 17.38526101
_cell_angle_gamma 17.385260550000027
... |
InsertBetweenAtomsAction | 1fc63c6a-a87a-4218-b59e-44867dc4d99d | mp-1276118 | Insert a In atom in the line between atoms at indices 21 and 17, and the inserted atom must be 3.33 angstrom from atom at 21 in the cif file. | data_image0
_chemical_formula_structural Sr4Y4Co4O16
_chemical_formula_sum "Sr4 Y4 Co4 O16"
_cell_length_a 6.82662412
_cell_length_b 7.656220570000001
_cell_length_c 8.49591655
_cell_angle_alpha 116.01055158
_cell_angle_beta 68.13609192
_cell_angle_gamma 106.15056943
_spa... | data_image0
_chemical_formula_structural Sr4Y4Co4O16In
_chemical_formula_sum "Sr4 Y4 Co4 O16 In1"
_cell_length_a 6.82662412
_cell_length_b 7.656220570000001
_cell_length_c 8.49591655
_cell_angle_alpha 116.01055158
_cell_angle_beta 68.13609192
_cell_angle_gamma 106.15056943... |
InsertBetweenAtomsAction | 31a35c59-ff06-46d5-b9e1-4a09f61e9acb | mp-568234 | Insert a Kr atom in the line between atoms at indices 13 and 20, and the inserted atom must be 1.50 angstrom from atom at 13 in the cif file. | data_image0
_chemical_formula_structural Na8Ca2Sn12
_chemical_formula_sum "Na8 Ca2 Sn12"
_cell_length_a 10.1450155
_cell_length_b 10.1450155
_cell_length_c 7.232024
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999674000001
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Na8Ca2Sn12Kr
_chemical_formula_sum "Na8 Ca2 Sn12 Kr1"
_cell_length_a 10.1450155
_cell_length_b 10.1450155
_cell_length_c 7.232024
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999674000001
_space_group_name_H... |
InsertBetweenAtomsAction | 9c3761c4-2e59-47b2-8657-5d4a567bd3e0 | mp-1196042 | Insert a Sm atom in the line between atoms at indices 2 and 50, and the inserted atom must be 7.65 angstrom from atom at 2 in the cif file. | data_image0
_chemical_formula_structural Na4H36Pt2N12F12
_chemical_formula_sum "Na4 H36 Pt2 N12 F12"
_cell_length_a 8.85184657
_cell_length_b 8.85184657
_cell_length_c 12.09539409
_cell_angle_alpha 98.80362747
_cell_angle_beta 103.44069572
_cell_angle_gamma 118.24613566
_... | data_image0
_chemical_formula_structural Na4H36Pt2N12F12Sm
_chemical_formula_sum "Na4 H36 Pt2 N12 F12 Sm1"
_cell_length_a 8.85184657
_cell_length_b 8.85184657
_cell_length_c 12.09539409
_cell_angle_alpha 98.80362747
_cell_angle_beta 103.44069572
_cell_angle_gamma 118.24613... |
InsertBetweenAtomsAction | cc09e06a-f1be-41b9-b303-cb9cd2a41dba | mp-1105286 | Insert a Ga atom in the line between atoms at indices 5 and 1, and the inserted atom must be 3.36 angstrom from atom at 5 in the cif file. | data_image0
_chemical_formula_structural Eu9Pd6
_chemical_formula_sum "Eu9 Pd6"
_cell_length_a 7.82315942
_cell_length_b 7.82313956
_cell_length_c 7.823093980000001
_cell_angle_alpha 71.56246473
_cell_angle_beta 71.56151988
_cell_angle_gamma 71.56088198
_space_group_name_... | data_image0
_chemical_formula_structural Eu9Pd6Ga
_chemical_formula_sum "Eu9 Pd6 Ga1"
_cell_length_a 7.82315942
_cell_length_b 7.82313956
_cell_length_c 7.823093980000001
_cell_angle_alpha 71.56246473
_cell_angle_beta 71.56151988
_cell_angle_gamma 71.56088198
_space_group... |
InsertBetweenAtomsAction | 43ece78c-1d0e-4d1b-a2e9-eb770b56bdcd | mp-1028291 | Insert a Th atom in the line between atoms at indices 8 and 5, and the inserted atom must be 0.81 angstrom from atom at 8 in the cif file. | data_image0
_chemical_formula_structural Mg14TiSn
_chemical_formula_sum "Mg14 Ti1 Sn1"
_cell_length_a 6.35788669
_cell_length_b 6.26407423
_cell_length_c 10.26129398
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.51309288
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Mg14TiSnTh
_chemical_formula_sum "Mg14 Ti1 Sn1 Th1"
_cell_length_a 6.35788669
_cell_length_b 6.26407423
_cell_length_c 10.26129398
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.51309288
_space_group_name_H-M_al... |
InsertBetweenAtomsAction | c311addf-d3a4-4948-9386-be4d3553e8e9 | mp-557900 | Insert a Mt atom in the line between atoms at indices 27 and 18, and the inserted atom must be 4.51 angstrom from atom at 27 in the cif file. | data_image0
_chemical_formula_structural Sb4C4S4Cl8F36
_chemical_formula_sum "Sb4 C4 S4 Cl8 F36"
_cell_length_a 9.807782
_cell_length_b 8.027716
_cell_length_c 12.749867329999999
_cell_angle_alpha 79.61769552
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_... | data_image0
_chemical_formula_structural Sb4C4S4Cl8F36Mt
_chemical_formula_sum "Sb4 C4 S4 Cl8 F36 Mt1"
_cell_length_a 9.807782
_cell_length_b 8.027716
_cell_length_c 12.749867329999999
_cell_angle_alpha 79.61769552
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group... |
InsertBetweenAtomsAction | f0f5b271-9c9a-4351-abd6-3d048a458e4f | mp-722910 | Insert a Ce atom in the line between atoms at indices 31 and 12, and the inserted atom must be 2.78 angstrom from atom at 31 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 K4B12H10N2O4Ce
_chemical_formula_sum "K4 B12 H10 N2 O4 Ce1"
_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... |
InsertBetweenAtomsAction | d6bb2b17-2f23-453b-bec6-90a9d2dca1eb | mp-1079659 | Insert a Fm atom in the line between atoms at indices 8 and 7, and the inserted atom must be 2.04 angstrom from atom at 8 in the cif file. | data_image0
_chemical_formula_structural Ta2B4Mo4
_chemical_formula_sum "Ta2 B4 Mo4"
_cell_length_a 6.126533
_cell_length_b 6.126533
_cell_length_c 3.192332
_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 Ta2B4Mo4Fm
_chemical_formula_sum "Ta2 B4 Mo4 Fm1"
_cell_length_a 6.126533
_cell_length_b 6.126533
_cell_length_c 3.192332
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space... |
InsertBetweenAtomsAction | 36133d96-eba4-41d1-9b3c-7a442bc17c38 | mp-1246724 | Insert a Be atom in the line between atoms at indices 0 and 19, and the inserted atom must be 3.69 angstrom from atom at 0 in the cif file. | data_image0
_chemical_formula_structural K12W2N8
_chemical_formula_sum "K12 W2 N8"
_cell_length_a 8.235276
_cell_length_b 8.235276
_cell_length_c 6.767872
_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_I... | data_image0
_chemical_formula_structural K12W2N8Be
_chemical_formula_sum "K12 W2 N8 Be1"
_cell_length_a 8.235276
_cell_length_b 8.235276
_cell_length_c 6.767872
_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... |
InsertBetweenAtomsAction | a0fab2ba-9795-4417-b85b-6489ba0cf0a6 | mp-1522534 | Insert a Rn atom in the line between atoms at indices 3 and 9, and the inserted atom must be 0.20 angstrom from atom at 3 in the cif file. | data_image0
_chemical_formula_structural KSmV4O12
_chemical_formula_sum "K1 Sm1 V4 O12"
_cell_length_a 6.08342674
_cell_length_b 6.083426740000001
_cell_length_c 7.22975552
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 107.35195116
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural KSmV4O12Rn
_chemical_formula_sum "K1 Sm1 V4 O12 Rn1"
_cell_length_a 6.08342674
_cell_length_b 6.083426740000001
_cell_length_c 7.22975552
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 107.35195116
_space_group_name... |
InsertBetweenAtomsAction | 591c1218-e17e-4d97-9bf9-03510a3104e4 | mp-1217053 | Insert a Ar atom in the line between atoms at indices 5 and 8, and the inserted atom must be 3.41 angstrom from atom at 5 in the cif file. | data_image0
_chemical_formula_structural UFe10Si2
_chemical_formula_sum "U1 Fe10 Si2"
_cell_length_a 4.730447
_cell_length_b 6.3071932
_cell_length_c 6.3071932
_cell_angle_alpha 99.35466125000002
_cell_angle_beta 112.02456319999999
_cell_angle_gamma 67.9754368
_space_grou... | data_image0
_chemical_formula_structural UFe10Si2Ar
_chemical_formula_sum "U1 Fe10 Si2 Ar1"
_cell_length_a 4.730447
_cell_length_b 6.3071932
_cell_length_c 6.3071932
_cell_angle_alpha 99.35466125000002
_cell_angle_beta 112.02456319999999
_cell_angle_gamma 67.9754368
_spac... |
InsertBetweenAtomsAction | 6567b113-843b-4434-9db5-2251a4561838 | mp-771953 | Insert a Kr atom in the line between atoms at indices 7 and 4, and the inserted atom must be 1.38 angstrom from atom at 7 in the cif file. | data_image0
_chemical_formula_structural Li4Nb2Ni6O16
_chemical_formula_sum "Li4 Nb2 Ni6 O16"
_cell_length_a 5.87620765
_cell_length_b 5.87620765
_cell_length_c 9.636389
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999604
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Li4Nb2Ni6O16Kr
_chemical_formula_sum "Li4 Nb2 Ni6 O16 Kr1"
_cell_length_a 5.87620765
_cell_length_b 5.87620765
_cell_length_c 9.636389
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999604
_space_group_name_H-... |
InsertBetweenAtomsAction | 7e0351ac-974e-45c5-bf2e-cb0f9538ff3e | mp-765360 | Insert a Mt atom in the line between atoms at indices 19 and 27, and the inserted atom must be 1.29 angstrom from atom at 19 in the cif file. | data_image0
_chemical_formula_structural NiPt12O16
_chemical_formula_sum "Ni1 Pt12 O16"
_cell_length_a 8.02621634
_cell_length_b 8.02621634
_cell_length_c 8.02621634
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999... | data_image0
_chemical_formula_structural NiPt12O16Mt
_chemical_formula_sum "Ni1 Pt12 O16 Mt1"
_cell_length_a 8.02621634
_cell_length_b 8.02621634
_cell_length_c 8.02621634
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999... |
InsertBetweenAtomsAction | aaf51b5d-29d0-44a6-9603-79ce4a71c8fd | mp-1227224 | Insert a U atom in the line between atoms at indices 38 and 5, and the inserted atom must be 3.90 angstrom from atom at 38 in the cif file. | data_image0
_chemical_formula_structural Ca4La4Nb4Co4O24
_chemical_formula_sum "Ca4 La4 Nb4 Co4 O24"
_cell_length_a 5.75215555
_cell_length_b 9.73227218
_cell_length_c 9.701811169999997
_cell_angle_alpha 70.08956945
_cell_angle_beta 90.01605944999999
_cell_angle_gamma 89.9... | data_image0
_chemical_formula_structural Ca4La4Nb4Co4O24U
_chemical_formula_sum "Ca4 La4 Nb4 Co4 O24 U1"
_cell_length_a 5.75215555
_cell_length_b 9.73227218
_cell_length_c 9.701811169999997
_cell_angle_alpha 70.08956945
_cell_angle_beta 90.01605944999999
_cell_angle_gamma ... |
InsertBetweenAtomsAction | b91446eb-eb48-4c3b-b11b-ee84a169cc20 | mp-1032930 | Insert a Sg atom in the line between atoms at indices 9 and 13, and the inserted atom must be 1.44 angstrom from atom at 9 in the cif file. | data_image0
_chemical_formula_structural CaMg6FeO8
_chemical_formula_sum "Ca1 Mg6 Fe1 O8"
_cell_length_a 8.71752451
_cell_length_b 4.36413882
_cell_length_c 4.36413882
_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 CaMg6FeO8Sg
_chemical_formula_sum "Ca1 Mg6 Fe1 O8 Sg1"
_cell_length_a 8.71752451
_cell_length_b 4.36413882
_cell_length_c 4.36413882
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... |
InsertBetweenAtomsAction | 4efec343-6fae-4619-a44c-75d112e4787e | mp-1030940 | Insert a Cd atom in the line between atoms at indices 6 and 11, and the inserted atom must be 1.90 angstrom from atom at 6 in the cif file. | data_image0
_chemical_formula_structural KMg6BiO8
_chemical_formula_sum "K1 Mg6 Bi1 O8"
_cell_length_a 9.03070652
_cell_length_b 4.60148896
_cell_length_c 4.60148896
_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 KMg6BiO8Cd
_chemical_formula_sum "K1 Mg6 Bi1 O8 Cd1"
_cell_length_a 9.03070652
_cell_length_b 4.60148896
_cell_length_c 4.60148896
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
InsertBetweenAtomsAction | b745fdb8-16f0-4757-b34d-0ec591c4c52e | mp-1105973 | Insert a Md atom in the line between atoms at indices 9 and 5, and the inserted atom must be 1.55 angstrom from atom at 9 in the cif file. | data_image0
_chemical_formula_structural Sc4Ag4Se8
_chemical_formula_sum "Sc4 Ag4 Se8"
_cell_length_a 3.99573998
_cell_length_b 6.78147425
_cell_length_c 13.21755954
_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 Sc4Ag4Se8Md
_chemical_formula_sum "Sc4 Ag4 Se8 Md1"
_cell_length_a 3.99573998
_cell_length_b 6.78147425
_cell_length_c 13.21755954
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
InsertBetweenAtomsAction | c3b5d95c-70a8-45be-8c71-fbdc88f3d285 | mp-1196630 | Insert a Ba atom in the line between atoms at indices 38 and 11, and the inserted atom must be 3.40 angstrom from atom at 38 in the cif file. | data_image0
_chemical_formula_structural Fe2Cu16Sb6S26N12
_chemical_formula_sum "Fe2 Cu16 Sb6 S26 N12"
_cell_length_a 12.46461247
_cell_length_b 12.46461247
_cell_length_c 12.46461247
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma ... | data_image0
_chemical_formula_structural Fe2Cu16Sb6S26N12Ba
_chemical_formula_sum "Fe2 Cu16 Sb6 S26 N12 Ba1"
_cell_length_a 12.46461247
_cell_length_b 12.46461247
_cell_length_c 12.46461247
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_g... |
InsertBetweenAtomsAction | 12a9d6ff-aeae-4022-a46d-83204cb27b16 | mp-768947 | Insert a Yb atom in the line between atoms at indices 19 and 3, and the inserted atom must be 1.47 angstrom from atom at 19 in the cif file. | data_image0
_chemical_formula_structural Li10Zn3Ge4O16
_chemical_formula_sum "Li10 Zn3 Ge4 O16"
_cell_length_a 5.231285
_cell_length_b 6.39117044
_cell_length_c 10.99877016
_cell_angle_alpha 90.21476274
_cell_angle_beta 90.37445161
_cell_angle_gamma 90.42332329000001
_spa... | data_image0
_chemical_formula_structural Li10Zn3Ge4O16Yb
_chemical_formula_sum "Li10 Zn3 Ge4 O16 Yb1"
_cell_length_a 5.231285
_cell_length_b 6.39117044
_cell_length_c 10.99877016
_cell_angle_alpha 90.21476274
_cell_angle_beta 90.37445161
_cell_angle_gamma 90.42332329000001... |
InsertBetweenAtomsAction | 9619ee26-a996-4c7c-9a4f-e049f0ea8cc8 | mp-766509 | Insert a Rg atom in the line between atoms at indices 41 and 49, and the inserted atom must be 1.43 angstrom from atom at 41 in the cif file. | data_image0
_chemical_formula_structural Li12Mn3VP4C4O28
_chemical_formula_sum "Li12 Mn3 V1 P4 C4 O28"
_cell_length_a 6.62103
_cell_length_b 8.529274
_cell_length_c 10.00008452
_cell_angle_alpha 85.44371267
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-... | data_image0
_chemical_formula_structural Li12Mn3VP4C4O28Rg
_chemical_formula_sum "Li12 Mn3 V1 P4 C4 O28 Rg1"
_cell_length_a 6.62103
_cell_length_b 8.529274
_cell_length_c 10.00008452
_cell_angle_alpha 85.44371267
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_n... |
InsertBetweenAtomsAction | 9e1cecf7-6953-4be2-a57d-36759cfa4b2d | mp-758323 | Insert a Sm atom in the line between atoms at indices 28 and 2, and the inserted atom must be 1.44 angstrom from atom at 28 in the cif file. | 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 Li2Ti3CoP6O24Sm
_chemical_formula_sum "Li2 Ti3 Co1 P6 O24 Sm1"
_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
_s... |
InsertBetweenAtomsAction | a9e12941-9687-4b15-b2a3-e42f91c35c7d | mp-757107 | Insert a Pa atom in the line between atoms at indices 15 and 5, and the inserted atom must be 1.94 angstrom from atom at 15 in the cif file. | data_image0
_chemical_formula_structural Li4Fe4Si4O14
_chemical_formula_sum "Li4 Fe4 Si4 O14"
_cell_length_a 4.93703652
_cell_length_b 13.34065991
_cell_length_c 4.9369259
_cell_angle_alpha 90.04725306
_cell_angle_beta 61.83299907
_cell_angle_gamma 89.92760327000002
_spac... | data_image0
_chemical_formula_structural Li4Fe4Si4O14Pa
_chemical_formula_sum "Li4 Fe4 Si4 O14 Pa1"
_cell_length_a 4.93703652
_cell_length_b 13.34065991
_cell_length_c 4.9369259
_cell_angle_alpha 90.04725306
_cell_angle_beta 61.83299907
_cell_angle_gamma 89.92760327000002
... |
InsertBetweenAtomsAction | 2f8d0dc2-64d3-489a-b6c4-54cbea24f7f5 | mp-1182357 | Insert a Ra atom in the line between atoms at indices 7 and 3, and the inserted atom must be 1.15 angstrom from atom at 7 in the cif file. | data_image0
_chemical_formula_structural BH12C3N
_chemical_formula_sum "B1 H12 C3 N1"
_cell_length_a 6.05032619
_cell_length_b 6.05032619
_cell_length_c 6.0503269
_cell_angle_alpha 108.44712973
_cell_angle_beta 108.44712973
_cell_angle_gamma 108.44713410999998
_space_grou... | data_image0
_chemical_formula_structural BH12C3NRa
_chemical_formula_sum "B1 H12 C3 N1 Ra1"
_cell_length_a 6.05032619
_cell_length_b 6.05032619
_cell_length_c 6.0503269
_cell_angle_alpha 108.44712973
_cell_angle_beta 108.44712973
_cell_angle_gamma 108.44713410999998
_spac... |
InsertBetweenAtomsAction | 3c5b1670-2d93-488c-9c42-132c93fd07d6 | mp-1208067 | Insert a Y atom in the line between atoms at indices 0 and 1, and the inserted atom must be 1.47 angstrom from atom at 0 in the cif file. | data_image0
_chemical_formula_structural Tm16Cd4Pd4
_chemical_formula_sum "Tm16 Cd4 Pd4"
_cell_length_a 9.49881182
_cell_length_b 9.49868892
_cell_length_c 9.49875746
_cell_angle_alpha 59.99933265
_cell_angle_beta 59.99960467
_cell_angle_gamma 59.99946519
_space_group_nam... | data_image0
_chemical_formula_structural Tm16Cd4Pd4Y
_chemical_formula_sum "Tm16 Cd4 Pd4 Y1"
_cell_length_a 9.49881182
_cell_length_b 9.49868892
_cell_length_c 9.49875746
_cell_angle_alpha 59.99933265
_cell_angle_beta 59.99960467
_cell_angle_gamma 59.99946519
_space_group... |
InsertBetweenAtomsAction | 9d03c8b0-0982-4c05-a205-d7b45fba99ba | mp-1236434 | Insert a P atom in the line between atoms at indices 2 and 8, and the inserted atom must be 0.64 angstrom from atom at 2 in the cif file. | data_image0
_chemical_formula_structural Sr4LiMn2Cu3S4O4
_chemical_formula_sum "Sr4 Li1 Mn2 Cu3 S4 O4"
_cell_length_a 5.91148118
_cell_length_b 5.90005843
_cell_length_c 9.35569443
_cell_angle_alpha 91.18388019999999
_cell_angle_beta 71.59014073
_cell_angle_gamma 93.837192... | data_image0
_chemical_formula_structural Sr4LiMn2Cu3S4O4P
_chemical_formula_sum "Sr4 Li1 Mn2 Cu3 S4 O4 P1"
_cell_length_a 5.91148118
_cell_length_b 5.90005843
_cell_length_c 9.35569443
_cell_angle_alpha 91.18388019999999
_cell_angle_beta 71.59014073
_cell_angle_gamma 93.83... |
InsertBetweenAtomsAction | 3dc95302-ec38-4aa5-801f-8c29a59419bb | mp-1202130 | Insert a Ar atom in the line between atoms at indices 16 and 15, and the inserted atom must be 1.54 angstrom from atom at 16 in the cif file. | data_image0
_chemical_formula_structural K4U4Se8O32
_chemical_formula_sum "K4 U4 Se8 O32"
_cell_length_a 10.240241
_cell_length_b 9.050216
_cell_length_c 12.85625632
_cell_angle_alpha 49.27693034999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural K4U4Se8O32Ar
_chemical_formula_sum "K4 U4 Se8 O32 Ar1"
_cell_length_a 10.240241
_cell_length_b 9.050216
_cell_length_c 12.85625632
_cell_angle_alpha 49.27693034999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H... |
InsertBetweenAtomsAction | 19d0b789-8695-4e99-8f6c-6ff32047422b | mp-23180 | Insert a Rn atom in the line between atoms at indices 8 and 13, and the inserted atom must be 2.28 angstrom from atom at 8 in the cif file. | data_image0
_chemical_formula_structural In10Bi6
_chemical_formula_sum "In10 Bi6"
_cell_length_a 8.99298709
_cell_length_b 8.99298709
_cell_length_c 8.99298709
_cell_angle_alpha 124.13612909
_cell_angle_beta 124.13612909
_cell_angle_gamma 82.97386521999998
_space_group_na... | data_image0
_chemical_formula_structural In10Bi6Rn
_chemical_formula_sum "In10 Bi6 Rn1"
_cell_length_a 8.99298709
_cell_length_b 8.99298709
_cell_length_c 8.99298709
_cell_angle_alpha 124.13612909
_cell_angle_beta 124.13612909
_cell_angle_gamma 82.97386521999998
_space_gr... |
InsertBetweenAtomsAction | 70df0f99-a85e-4a30-a0d5-8c9b4128144a | mp-755150 | Insert a Rh atom in the line between atoms at indices 9 and 6, and the inserted atom must be 0.56 angstrom from atom at 9 in the cif file. | data_image0
_chemical_formula_structural LiMn3Ni2O8
_chemical_formula_sum "Li1 Mn3 Ni2 O8"
_cell_length_a 5.95560691
_cell_length_b 5.95560691
_cell_length_c 5.95560691
_cell_angle_alpha 121.21523352000003
_cell_angle_beta 120.47303682
_cell_angle_gamma 88.54526209
_space... | data_image0
_chemical_formula_structural LiMn3Ni2O8Rh
_chemical_formula_sum "Li1 Mn3 Ni2 O8 Rh1"
_cell_length_a 5.95560691
_cell_length_b 5.95560691
_cell_length_c 5.95560691
_cell_angle_alpha 121.21523352000003
_cell_angle_beta 120.47303682
_cell_angle_gamma 88.54526209
... |
InsertBetweenAtomsAction | bc307f9b-12df-447e-bc07-cb2c2e84eb6b | mp-1029422 | Insert a Gd atom in the line between atoms at indices 0 and 9, and the inserted atom must be 1.60 angstrom from atom at 0 in the cif file. | data_image0
_chemical_formula_structural Nb2Zn4N6
_chemical_formula_sum "Nb2 Zn4 N6"
_cell_length_a 5.69129974
_cell_length_b 5.76525118
_cell_length_c 5.38931929
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.43078747999999
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Nb2Zn4N6Gd
_chemical_formula_sum "Nb2 Zn4 N6 Gd1"
_cell_length_a 5.69129974
_cell_length_b 5.76525118
_cell_length_c 5.38931929
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.43078747999999
_space_group_name_H-M... |
InsertBetweenAtomsAction | b75a79e4-c54a-4fbb-a7b5-3c7607d2145d | mp-1222315 | Insert a Te atom in the line between atoms at indices 6 and 3, and the inserted atom must be 1.21 angstrom from atom at 6 in the cif file. | data_image0
_chemical_formula_structural LiLaTi2O6
_chemical_formula_sum "Li1 La1 Ti2 O6"
_cell_length_a 5.50131621
_cell_length_b 5.50131621
_cell_length_c 5.50131621
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999999999999... | data_image0
_chemical_formula_structural LiLaTi2O6Te
_chemical_formula_sum "Li1 La1 Ti2 O6 Te1"
_cell_length_a 5.50131621
_cell_length_b 5.50131621
_cell_length_c 5.50131621
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999999... |
InsertBetweenAtomsAction | 02c1638e-c86b-4575-8335-d086a6b8fad8 | mp-1204213 | Insert a Li atom in the line between atoms at indices 35 and 53, and the inserted atom must be 1.26 angstrom from atom at 35 in the cif file. | data_image0
_chemical_formula_structural Tb4Nb4S14O60
_chemical_formula_sum "Tb4 Nb4 S14 O60"
_cell_length_a 12.855284
_cell_length_b 12.855284
_cell_length_c 7.155806
_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 Tb4Nb4S14O60Li
_chemical_formula_sum "Tb4 Nb4 S14 O60 Li1"
_cell_length_a 12.855284
_cell_length_b 12.855284
_cell_length_c 7.155806
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... |
InsertBetweenAtomsAction | e2ca1622-72e8-4042-b08f-8ff7ec499213 | mp-769628 | Insert a Sc atom in the line between atoms at indices 19 and 13, and the inserted atom must be 5.27 angstrom from atom at 19 in the cif file. | data_image0
_chemical_formula_structural Li8V6Cr2O16
_chemical_formula_sum "Li8 V6 Cr2 O16"
_cell_length_a 5.17703722
_cell_length_b 5.98331107
_cell_length_c 10.782648249999998
_cell_angle_alpha 106.02238287000002
_cell_angle_beta 85.40813636999998
_cell_angle_gamma 73.14... | data_image0
_chemical_formula_structural Li8V6Cr2O16Sc
_chemical_formula_sum "Li8 V6 Cr2 O16 Sc1"
_cell_length_a 5.17703722
_cell_length_b 5.98331107
_cell_length_c 10.782648249999998
_cell_angle_alpha 106.02238287000002
_cell_angle_beta 85.40813636999998
_cell_angle_gamma ... |
InsertBetweenAtomsAction | 9f7ec9ee-4aa6-450f-9ed3-409cc6279547 | mp-569299 | Insert a U atom in the line between atoms at indices 5 and 3, and the inserted atom must be 2.75 angstrom from atom at 5 in the cif file. | data_image0
_chemical_formula_structural Be4B8C8
_chemical_formula_sum "Be4 B8 C8"
_cell_length_a 4.701496
_cell_length_b 5.433968
_cell_length_c 6.133034
_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_I... | data_image0
_chemical_formula_structural Be4B8C8U
_chemical_formula_sum "Be4 B8 C8 U1"
_cell_length_a 4.701496
_cell_length_b 5.433968
_cell_length_c 6.133034
_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... |
InsertBetweenAtomsAction | 7a4e79be-4cdc-4cbc-b335-9e93523b0c48 | mp-1212808 | Insert a Ge atom in the line between atoms at indices 1 and 8, and the inserted atom must be 3.67 angstrom from atom at 1 in the cif file. | data_image0
_chemical_formula_structural Dy8Rh2
_chemical_formula_sum "Dy8 Rh2"
_cell_length_a 7.58914232
_cell_length_b 7.5891423200000006
_cell_length_c 7.589142319999999
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.9999999... | data_image0
_chemical_formula_structural Dy8Rh2Ge
_chemical_formula_sum "Dy8 Rh2 Ge1"
_cell_length_a 7.58914232
_cell_length_b 7.5891423200000006
_cell_length_c 7.589142319999999
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.9... |
InsertBetweenAtomsAction | 81f2ab90-910f-4cae-932f-80eae08414e3 | mp-1173625 | Insert a O atom in the line between atoms at indices 8 and 45, and the inserted atom must be 8.61 angstrom from atom at 8 in the cif file. | data_image0
_chemical_formula_structural Sr20Mg6Fe4Mo10O60
_chemical_formula_sum "Sr20 Mg6 Fe4 Mo10 O60"
_cell_length_a 5.65487814
_cell_length_b 56.61730067
_cell_length_c 5.668843420000001
_cell_angle_alpha 119.77604449
_cell_angle_beta 119.74319130000002
_cell_angle_gamma ... | data_image0
_chemical_formula_structural Sr20Mg6Fe4Mo10O61
_chemical_formula_sum "Sr20 Mg6 Fe4 Mo10 O61"
_cell_length_a 5.65487814
_cell_length_b 56.61730067
_cell_length_c 5.668843420000001
_cell_angle_alpha 119.77604449
_cell_angle_beta 119.74319130000002
_cell_angle_gamma ... |
InsertBetweenAtomsAction | 2265f752-8185-4e91-992e-13feecca3eb1 | mp-755804 | Insert a Rg atom in the line between atoms at indices 17 and 6, and the inserted atom must be 4.26 angstrom from atom at 17 in the cif file. | data_image0
_chemical_formula_structural Lu6TeO12
_chemical_formula_sum "Lu6 Te1 O12"
_cell_length_a 6.27780857
_cell_length_b 6.27780881
_cell_length_c 6.27780799
_cell_angle_alpha 98.83322104
_cell_angle_beta 98.83322721000002
_cell_angle_gamma 98.83321398
_space_group_... | data_image0
_chemical_formula_structural Lu6TeO12Rg
_chemical_formula_sum "Lu6 Te1 O12 Rg1"
_cell_length_a 6.27780857
_cell_length_b 6.27780881
_cell_length_c 6.27780799
_cell_angle_alpha 98.83322104
_cell_angle_beta 98.83322721000002
_cell_angle_gamma 98.83321398
_space_... |
InsertBetweenAtomsAction | 12f775a1-5df9-4aab-a8cb-e151c806703c | mp-1180177 | Insert a Ds atom in the line between atoms at indices 18 and 15, and the inserted atom must be 7.02 angstrom from atom at 18 in the cif file. | data_image0
_chemical_formula_structural Mn4N4Cl12
_chemical_formula_sum "Mn4 N4 Cl12"
_cell_length_a 6.64319472
_cell_length_b 6.64319472
_cell_length_c 9.495138
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.34296178
_space_group_name_H-M_alt "P 1"... | data_image0
_chemical_formula_structural Mn4N4Cl12Ds
_chemical_formula_sum "Mn4 N4 Cl12 Ds1"
_cell_length_a 6.64319472
_cell_length_b 6.64319472
_cell_length_c 9.495138
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.34296178
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | 4df6750c-1c75-4dcc-97ba-d1ba23dd1f5f | mp-1213024 | Insert a Fl atom in the line between atoms at indices 20 and 14, and the inserted atom must be 1.55 angstrom from atom at 20 in the cif file. | data_image0
_chemical_formula_structural Er4Ge6Pt18
_chemical_formula_sum "Er4 Ge6 Pt18"
_cell_length_a 7.81079378
_cell_length_b 7.81079378
_cell_length_c 10.08773752
_cell_angle_alpha 67.10766358
_cell_angle_beta 67.10766358
_cell_angle_gamma 60.213991459999995
_space_g... | data_image0
_chemical_formula_structural Er4Ge6Pt18Fl
_chemical_formula_sum "Er4 Ge6 Pt18 Fl1"
_cell_length_a 7.81079378
_cell_length_b 7.81079378
_cell_length_c 10.08773752
_cell_angle_alpha 67.10766358
_cell_angle_beta 67.10766358
_cell_angle_gamma 60.213991459999995
_s... |
InsertBetweenAtomsAction | f827b07b-398e-49ac-9eda-c4d2f9194390 | mp-642735 | Insert a Ni atom in the line between atoms at indices 11 and 10, and the inserted atom must be 2.85 angstrom from atom at 11 in the cif file. | data_image0
_chemical_formula_structural Rb4H8Pt2
_chemical_formula_sum "Rb4 H8 Pt2"
_cell_length_a 5.8618533
_cell_length_b 5.8618533
_cell_length_c 8.40442138
_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 Rb4H8Pt2Ni
_chemical_formula_sum "Rb4 H8 Pt2 Ni1"
_cell_length_a 5.8618533
_cell_length_b 5.8618533
_cell_length_c 8.40442138
_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 | 738185e8-d7cc-4384-a641-d94c979e0136 | mp-2217675 | Insert a Hg atom in the line between atoms at indices 6 and 8, and the inserted atom must be 2.12 angstrom from atom at 6 in the cif file. | data_image0
_chemical_formula_structural MgMn2Al2O6
_chemical_formula_sum "Mg1 Mn2 Al2 O6"
_cell_length_a 4.99243128
_cell_length_b 5.73153045
_cell_length_c 5.54050531
_cell_angle_alpha 69.57045259
_cell_angle_beta 115.15394843
_cell_angle_gamma 112.72876431000002
_space... | data_image0
_chemical_formula_structural MgMn2Al2O6Hg
_chemical_formula_sum "Mg1 Mn2 Al2 O6 Hg1"
_cell_length_a 4.99243128
_cell_length_b 5.73153045
_cell_length_c 5.54050531
_cell_angle_alpha 69.57045259
_cell_angle_beta 115.15394843
_cell_angle_gamma 112.72876431000002
... |
InsertBetweenAtomsAction | d1ea25c0-aa7d-45f9-9d7d-4ef38c4f8566 | mp-18411 | Insert a Se atom in the line between atoms at indices 9 and 23, and the inserted atom must be 7.77 angstrom from atom at 9 in the cif file. | data_image0
_chemical_formula_structural Na12Ge4Se12
_chemical_formula_sum "Na12 Ge4 Se12"
_cell_length_a 11.90035661
_cell_length_b 8.2376087
_cell_length_c 8.37020124
_cell_angle_alpha 60.720833670000005
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M... | data_image0
_chemical_formula_structural Na12Ge4Se13
_chemical_formula_sum "Na12 Ge4 Se13"
_cell_length_a 11.90035661
_cell_length_b 8.2376087
_cell_length_c 8.37020124
_cell_angle_alpha 60.720833670000005
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M... |
InsertBetweenAtomsAction | 72b2c98c-20e7-413f-9e95-fe94e65399a1 | mp-752888 | Insert a Og atom in the line between atoms at indices 0 and 8, and the inserted atom must be 1.35 angstrom from atom at 0 in the cif file. | data_image0
_chemical_formula_structural Li4Cu2Si2O8
_chemical_formula_sum "Li4 Cu2 Si2 O8"
_cell_length_a 5.27264671
_cell_length_b 5.27264671
_cell_length_c 6.30294
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 93.70135550000002
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural Li4Cu2Si2O8Og
_chemical_formula_sum "Li4 Cu2 Si2 O8 Og1"
_cell_length_a 5.27264671
_cell_length_b 5.27264671
_cell_length_c 6.30294
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 93.70135550000002
_space_group_name_... |
InsertBetweenAtomsAction | 4286959d-87ec-4310-bf0d-d7944d9ce5cb | mp-735491 | Insert a Cf atom in the line between atoms at indices 9 and 43, and the inserted atom must be 0.71 angstrom from atom at 9 in the cif file. | data_image0
_chemical_formula_structural CaMg2H24Cl6O12
_chemical_formula_sum "Ca1 Mg2 H24 Cl6 O12"
_cell_length_a 8.277824
_cell_length_b 8.954916900000002
_cell_length_c 13.061188509999997
_cell_angle_alpha 106.75466694
_cell_angle_beta 90.4882698
_cell_angle_gamma 107.1... | data_image0
_chemical_formula_structural CaMg2H24Cl6O12Cf
_chemical_formula_sum "Ca1 Mg2 H24 Cl6 O12 Cf1"
_cell_length_a 8.277824
_cell_length_b 8.954916900000002
_cell_length_c 13.061188509999997
_cell_angle_alpha 106.75466694
_cell_angle_beta 90.4882698
_cell_angle_gamma ... |
InsertBetweenAtomsAction | dc94b4b1-ce57-4928-bfaf-1ffc3c7a7470 | mp-1028424 | Insert a N atom in the line between atoms at indices 10 and 3, and the inserted atom must be 4.15 angstrom from atom at 10 in the cif file. | data_image0
_chemical_formula_structural CsMg14Co
_chemical_formula_sum "Cs1 Mg14 Co1"
_cell_length_a 6.55760238
_cell_length_b 6.33488309
_cell_length_c 10.66318141
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 118.88271971
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural CsMg14CoN
_chemical_formula_sum "Cs1 Mg14 Co1 N1"
_cell_length_a 6.55760238
_cell_length_b 6.33488309
_cell_length_c 10.66318141
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 118.88271971
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | 966267ba-15ba-4d20-b79e-b21a88636a00 | mp-1233972 | Insert a Ho atom in the line between atoms at indices 38 and 39, and the inserted atom must be 1.74 angstrom from atom at 38 in the cif file. | data_image0
_chemical_formula_structural K2MgFe4P6O16F12
_chemical_formula_sum "K2 Mg1 Fe4 P6 O16 F12"
_cell_length_a 7.43008289
_cell_length_b 7.97766556
_cell_length_c 10.67987818
_cell_angle_alpha 100.48071168
_cell_angle_beta 109.86194711999998
_cell_angle_gamma 91.902... | data_image0
_chemical_formula_structural K2MgFe4P6O16F12Ho
_chemical_formula_sum "K2 Mg1 Fe4 P6 O16 F12 Ho1"
_cell_length_a 7.43008289
_cell_length_b 7.97766556
_cell_length_c 10.67987818
_cell_angle_alpha 100.48071168
_cell_angle_beta 109.86194711999998
_cell_angle_gamma ... |
InsertBetweenAtomsAction | 0abc2dc5-4293-405c-827d-4d016ea88532 | mp-22850 | Insert a Pm atom in the line between atoms at indices 12 and 15, and the inserted atom must be 2.01 angstrom from atom at 12 in the cif file. | data_image0
_chemical_formula_structural Ru4Cl12
_chemical_formula_sum "Ru4 Cl12"
_cell_length_a 5.67615011
_cell_length_b 6.23663128
_cell_length_c 10.767188719999998
_cell_angle_alpha 89.99988935
_cell_angle_beta 89.99997873999999
_cell_angle_gamma 90.16930695
_space_gr... | data_image0
_chemical_formula_structural Ru4Cl12Pm
_chemical_formula_sum "Ru4 Cl12 Pm1"
_cell_length_a 5.67615011
_cell_length_b 6.23663128
_cell_length_c 10.767188719999998
_cell_angle_alpha 89.99988935
_cell_angle_beta 89.99997873999999
_cell_angle_gamma 90.16930695
_sp... |
InsertBetweenAtomsAction | b11252a2-ecf1-459f-b2e3-7278b23a0780 | mp-1179847 | Insert a In atom in the line between atoms at indices 0 and 1, and the inserted atom must be 2.43 angstrom from atom at 0 in the cif file. | data_image0
_chemical_formula_structural Pt4N8Cl8
_chemical_formula_sum "Pt4 N8 Cl8"
_cell_length_a 5.209054
_cell_length_b 9.201537
_cell_length_c 9.42545
_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 Pt4N8Cl8In
_chemical_formula_sum "Pt4 N8 Cl8 In1"
_cell_length_a 5.209054
_cell_length_b 9.201537
_cell_length_c 9.42545
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_... |
InsertBetweenAtomsAction | dc191dfb-1f02-4061-9bd9-dcdd4cf90b9e | mp-758641 | Insert a At atom in the line between atoms at indices 29 and 3, and the inserted atom must be 0.43 angstrom from atom at 29 in the cif file. | data_image0
_chemical_formula_structural Li8Fe4Ni10O24
_chemical_formula_sum "Li8 Fe4 Ni10 O24"
_cell_length_a 8.881747
_cell_length_b 5.034984
_cell_length_c 9.77686885
_cell_angle_alpha 79.35162121
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Li8Fe4Ni10O24At
_chemical_formula_sum "Li8 Fe4 Ni10 O24 At1"
_cell_length_a 8.881747
_cell_length_b 5.034984
_cell_length_c 9.77686885
_cell_angle_alpha 79.35162121
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M... |
InsertBetweenAtomsAction | 0ec7a128-ba54-476e-90cf-a9296eaa997d | mp-772952 | Insert a Fm atom in the line between atoms at indices 34 and 11, and the inserted atom must be 3.40 angstrom from atom at 34 in the cif file. | data_image0
_chemical_formula_structural Li8V12Sn4O32
_chemical_formula_sum "Li8 V12 Sn4 O32"
_cell_length_a 8.510521
_cell_length_b 8.510521
_cell_length_c 8.510521
_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 Li8V12Sn4O32Fm
_chemical_formula_sum "Li8 V12 Sn4 O32 Fm1"
_cell_length_a 8.510521
_cell_length_b 8.510521
_cell_length_c 8.510521
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
InsertBetweenAtomsAction | fb594e83-02fc-4c39-bf97-5bf27bfc34d4 | mp-1111040 | Insert a Mt atom in the line between atoms at indices 2 and 7, and the inserted atom must be 1.44 angstrom from atom at 2 in the cif file. | data_image0
_chemical_formula_structural Rb2HgBiI6
_chemical_formula_sum "Rb2 Hg1 Bi1 I6"
_cell_length_a 8.80678303
_cell_length_b 8.80678303
_cell_length_c 8.80678303
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.99999999999... | data_image0
_chemical_formula_structural Rb2HgBiI6Mt
_chemical_formula_sum "Rb2 Hg1 Bi1 I6 Mt1"
_cell_length_a 8.80678303
_cell_length_b 8.80678303
_cell_length_c 8.80678303
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.99999... |
InsertBetweenAtomsAction | 3e4404a9-40b5-4fc6-8ec0-bd9df5debd4d | mp-1216284 | Insert a Bh atom in the line between atoms at indices 22 and 8, and the inserted atom must be 3.00 angstrom from atom at 22 in the cif file. | data_image0
_chemical_formula_structural V4Re4O16
_chemical_formula_sum "V4 Re4 O16"
_cell_length_a 4.77833602
_cell_length_b 7.50857354
_cell_length_c 7.50850184
_cell_angle_alpha 100.99219614000002
_cell_angle_beta 91.2023349
_cell_angle_gamma 91.20688056
_space_group_n... | data_image0
_chemical_formula_structural V4Re4O16Bh
_chemical_formula_sum "V4 Re4 O16 Bh1"
_cell_length_a 4.77833602
_cell_length_b 7.50857354
_cell_length_c 7.50850184
_cell_angle_alpha 100.99219614000002
_cell_angle_beta 91.2023349
_cell_angle_gamma 91.20688056
_space_g... |
InsertBetweenAtomsAction | b36cfa68-bdc9-4d2b-9001-5545ca877200 | mp-1048483 | Insert a Tc atom in the line between atoms at indices 0 and 4, and the inserted atom must be 1.21 angstrom from atom at 0 in the cif file. | data_image0
_chemical_formula_structural Ba2AlNi3O7
_chemical_formula_sum "Ba2 Al1 Ni3 O7"
_cell_length_a 3.750112
_cell_length_b 3.911509
_cell_length_c 11.334825
_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 Ba2AlNi3O7Tc
_chemical_formula_sum "Ba2 Al1 Ni3 O7 Tc1"
_cell_length_a 3.750112
_cell_length_b 3.911509
_cell_length_c 11.334825
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... |
InsertBetweenAtomsAction | 2903b941-f843-4fb0-8276-1e073c942b4f | mp-1196290 | Insert a Kr atom in the line between atoms at indices 9 and 2, and the inserted atom must be 2.63 angstrom from atom at 9 in the cif file. | data_image0
_chemical_formula_structural Ge4P8O36
_chemical_formula_sum "Ge4 P8 O36"
_cell_length_a 4.876505
_cell_length_b 8.41757901
_cell_length_c 15.602034999999999
_cell_angle_alpha 99.61125826
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ge4P8O36Kr
_chemical_formula_sum "Ge4 P8 O36 Kr1"
_cell_length_a 4.876505
_cell_length_b 8.41757901
_cell_length_c 15.602034999999999
_cell_angle_alpha 99.61125826
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... |
InsertBetweenAtomsAction | 71b54005-381a-4fb6-90d8-54dfae16d634 | mp-532700 | Insert a F atom in the line between atoms at indices 49 and 5, and the inserted atom must be 2.65 angstrom from atom at 49 in the cif file. | data_image0
_chemical_formula_structural Sr3La21Zn2Cu10O48
_chemical_formula_sum "Sr3 La21 Zn2 Cu10 O48"
_cell_length_a 5.36805
_cell_length_b 5.533925
_cell_length_c 39.24638072
_cell_angle_alpha 89.80141967
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_... | data_image0
_chemical_formula_structural Sr3La21Zn2Cu10O48F
_chemical_formula_sum "Sr3 La21 Zn2 Cu10 O48 F1"
_cell_length_a 5.36805
_cell_length_b 5.533925
_cell_length_c 39.24638072
_cell_angle_alpha 89.80141967
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_n... |
InsertBetweenAtomsAction | 35e184f4-132c-41e1-ab33-42bbc740fd0e | mp-779525 | Insert a Xe atom in the line between atoms at indices 33 and 53, and the inserted atom must be 0.83 angstrom from atom at 33 in the cif file. | data_image0
_chemical_formula_structural Li6Sb6P16O58
_chemical_formula_sum "Li6 Sb6 P16 O58"
_cell_length_a 9.81431617
_cell_length_b 9.814316169999998
_cell_length_c 14.34933458
_cell_angle_alpha 89.75970408
_cell_angle_beta 89.75970408
_cell_angle_gamma 60.18746356
_sp... | data_image0
_chemical_formula_structural Li6Sb6P16O58Xe
_chemical_formula_sum "Li6 Sb6 P16 O58 Xe1"
_cell_length_a 9.81431617
_cell_length_b 9.814316169999998
_cell_length_c 14.34933458
_cell_angle_alpha 89.75970408
_cell_angle_beta 89.75970408
_cell_angle_gamma 60.1874635... |
InsertBetweenAtomsAction | a9630160-efce-4546-b294-88335760b5ee | mp-1020620 | Insert a Dy atom in the line between atoms at indices 27 and 26, and the inserted atom must be 1.22 angstrom from atom at 27 in the cif file. | data_image0
_chemical_formula_structural Rb5Li6B11O22
_chemical_formula_sum "Rb5 Li6 B11 O22"
_cell_length_a 6.9108715
_cell_length_b 6.910871500000001
_cell_length_c 13.90918786
_cell_angle_alpha 75.49352378
_cell_angle_beta 75.49352378
_cell_angle_gamma 62.92486309999999... | data_image0
_chemical_formula_structural Rb5Li6B11O22Dy
_chemical_formula_sum "Rb5 Li6 B11 O22 Dy1"
_cell_length_a 6.9108715
_cell_length_b 6.910871500000001
_cell_length_c 13.90918786
_cell_angle_alpha 75.49352378
_cell_angle_beta 75.49352378
_cell_angle_gamma 62.92486309... |
InsertBetweenAtomsAction | d7acb41d-040d-4408-a1fb-789432e47f13 | mp-722910 | Insert a Rn atom in the line between atoms at indices 3 and 31, and the inserted atom must be 0.51 angstrom from atom at 3 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 K4B12H10N2O4Rn
_chemical_formula_sum "K4 B12 H10 N2 O4 Rn1"
_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... |
InsertBetweenAtomsAction | e5f2aef4-247a-4243-a9ce-c501229e4144 | mp-2452 | Insert a Ca atom in the line between atoms at indices 6 and 9, and the inserted atom must be 1.09 angstrom from atom at 6 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 P4O10Ca
_chemical_formula_sum "P4 O10 Ca1"
_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 | e0ce7511-5e0c-4670-bdd1-56780e7cf560 | mp-2747986 | Insert a Au atom in the line between atoms at indices 10 and 15, and the inserted atom must be 3.33 angstrom from atom at 10 in the cif file. | data_image0
_chemical_formula_structural Cs2U4O12
_chemical_formula_sum "Cs2 U4 O12"
_cell_length_a 7.91228418
_cell_length_b 7.91201927
_cell_length_c 7.86210432
_cell_angle_alpha 60.17598872
_cell_angle_beta 60.17802232
_cell_angle_gamma 60.41923994999999
_space_group_n... | data_image0
_chemical_formula_structural Cs2U4O12Au
_chemical_formula_sum "Cs2 U4 O12 Au1"
_cell_length_a 7.91228418
_cell_length_b 7.91201927
_cell_length_c 7.86210432
_cell_angle_alpha 60.17598872
_cell_angle_beta 60.17802232
_cell_angle_gamma 60.41923994999999
_space_g... |
InsertBetweenAtomsAction | ebe79913-719f-4bb5-99cf-090d9b56c8e2 | mp-22663 | Insert a O atom in the line between atoms at indices 13 and 9, and the inserted atom must be 2.50 angstrom from atom at 13 in the cif file. | data_image0
_chemical_formula_structural Rb4Li2Fe2F12
_chemical_formula_sum "Rb4 Li2 Fe2 F12"
_cell_length_a 10.3533976
_cell_length_b 10.3533976
_cell_length_c 10.3533979
_cell_angle_alpha 33.65900677
_cell_angle_beta 33.65900677000001
_cell_angle_gamma 33.65901299999999
... | data_image0
_chemical_formula_structural Rb4Li2Fe2F12O
_chemical_formula_sum "Rb4 Li2 Fe2 F12 O1"
_cell_length_a 10.3533976
_cell_length_b 10.3533976
_cell_length_c 10.3533979
_cell_angle_alpha 33.65900677
_cell_angle_beta 33.65900677000001
_cell_angle_gamma 33.65901299999... |
InsertBetweenAtomsAction | bf25df21-2a93-4500-8eb1-e1be37db6148 | mp-10935 | Insert a Og atom in the line between atoms at indices 14 and 0, and the inserted atom must be 2.20 angstrom from atom at 14 in the cif file. | data_image0
_chemical_formula_structural Na2Er2P2O8F2
_chemical_formula_sum "Na2 Er2 P2 O8 F2"
_cell_length_a 5.66893758
_cell_length_b 5.66893758
_cell_length_c 6.50182419
_cell_angle_alpha 77.28592238000002
_cell_angle_beta 77.28592238000002
_cell_angle_gamma 75.5885696
... | data_image0
_chemical_formula_structural Na2Er2P2O8F2Og
_chemical_formula_sum "Na2 Er2 P2 O8 F2 Og1"
_cell_length_a 5.66893758
_cell_length_b 5.66893758
_cell_length_c 6.50182419
_cell_angle_alpha 77.28592238000002
_cell_angle_beta 77.28592238000002
_cell_angle_gamma 75.58... |
InsertBetweenAtomsAction | 264ee4a3-0c90-44af-94e8-a1091e127cac | mp-779533 | Insert a O atom in the line between atoms at indices 17 and 23, and the inserted atom must be 5.02 angstrom from atom at 17 in the cif file. | data_image0
_chemical_formula_structural Ba12Br8O8
_chemical_formula_sum "Ba12 Br8 O8"
_cell_length_a 6.367137
_cell_length_b 7.584598
_cell_length_c 19.738796
_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 Ba12Br8O9
_chemical_formula_sum "Ba12 Br8 O9"
_cell_length_a 6.367137
_cell_length_b 7.584598
_cell_length_c 19.738796
_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... |
InsertBetweenAtomsAction | fa8d6d87-dbd8-4c6f-bcb5-3f2695ceb33e | mp-601716 | Insert a Hf atom in the line between atoms at indices 8 and 23, and the inserted atom must be 3.52 angstrom from atom at 8 in the cif file. | data_image0
_chemical_formula_structural Fe4Bi4Sb4S16
_chemical_formula_sum "Fe4 Bi4 Sb4 S16"
_cell_length_a 3.652695
_cell_length_b 11.587656
_cell_length_c 13.842758
_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 Fe4Bi4Sb4S16Hf
_chemical_formula_sum "Fe4 Bi4 Sb4 S16 Hf1"
_cell_length_a 3.652695
_cell_length_b 11.587656
_cell_length_c 13.842758
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... |
InsertBetweenAtomsAction | df515e25-741a-4294-a18f-1372e016bc36 | mp-19808 | Insert a Kr atom in the line between atoms at indices 0 and 3, and the inserted atom must be 2.96 angstrom from atom at 0 in the cif file. | data_image0
_chemical_formula_structural Eu2Zn4Ge4
_chemical_formula_sum "Eu2 Zn4 Ge4"
_cell_length_a 4.31729603
_cell_length_b 4.31729603
_cell_length_c 10.51005343
_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 Eu2Zn4Ge4Kr
_chemical_formula_sum "Eu2 Zn4 Ge4 Kr1"
_cell_length_a 4.31729603
_cell_length_b 4.31729603
_cell_length_c 10.51005343
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
InsertBetweenAtomsAction | 2a089cbc-a3db-4a07-9216-0b72e9592ffb | mp-780186 | Insert a At atom in the line between atoms at indices 19 and 14, and the inserted atom must be 3.03 angstrom from atom at 19 in the cif file. | data_image0
_chemical_formula_structural Li9Mn10O20
_chemical_formula_sum "Li9 Mn10 O20"
_cell_length_a 5.130761
_cell_length_b 7.95721245
_cell_length_c 10.58464303
_cell_angle_alpha 105.63652019
_cell_angle_beta 101.21512979
_cell_angle_gamma 105.78322504
_space_group_n... | data_image0
_chemical_formula_structural Li9Mn10O20At
_chemical_formula_sum "Li9 Mn10 O20 At1"
_cell_length_a 5.130761
_cell_length_b 7.95721245
_cell_length_c 10.58464303
_cell_angle_alpha 105.63652019
_cell_angle_beta 101.21512979
_cell_angle_gamma 105.78322504
_space_g... |
InsertBetweenAtomsAction | 04833149-3fa5-4e1f-a5e8-101593126afb | mp-765943 | Insert a Cd atom in the line between atoms at indices 0 and 11, and the inserted atom must be 1.16 angstrom from atom at 0 in the cif file. | data_image0
_chemical_formula_structural Li12V8O16F8
_chemical_formula_sum "Li12 V8 O16 F8"
_cell_length_a 5.28340534
_cell_length_b 14.97931066
_cell_length_c 5.89211982
_cell_angle_alpha 100.62400067999998
_cell_angle_beta 91.38468044
_cell_angle_gamma 87.02975482
_spac... | data_image0
_chemical_formula_structural Li12V8O16F8Cd
_chemical_formula_sum "Li12 V8 O16 F8 Cd1"
_cell_length_a 5.28340534
_cell_length_b 14.97931066
_cell_length_c 5.89211982
_cell_angle_alpha 100.62400067999998
_cell_angle_beta 91.38468044
_cell_angle_gamma 87.02975482
... |
InsertBetweenAtomsAction | 58a7e0a8-93af-4b25-b3cf-c6bb32203e63 | mp-20268 | Insert a V atom in the line between atoms at indices 6 and 9, and the inserted atom must be 1.86 angstrom from atom at 6 in the cif file. | data_image0
_chemical_formula_structural Ti4Ge4Pd4
_chemical_formula_sum "Ti4 Ge4 Pd4"
_cell_length_a 3.84471038
_cell_length_b 6.4022481
_cell_length_c 7.552176479999999
_cell_angle_alpha 89.99749709
_cell_angle_beta 89.99999969999999
_cell_angle_gamma 89.99999966999998
... | data_image0
_chemical_formula_structural Ti4Ge4Pd4V
_chemical_formula_sum "Ti4 Ge4 Pd4 V1"
_cell_length_a 3.84471038
_cell_length_b 6.4022481
_cell_length_c 7.552176479999999
_cell_angle_alpha 89.99749709
_cell_angle_beta 89.99999969999999
_cell_angle_gamma 89.999999669999... |
InsertBetweenAtomsAction | ae17f381-0585-4ffd-a5ea-4c052eca4b9f | mp-17753 | Insert a O atom in the line between atoms at indices 12 and 6, and the inserted atom must be 2.71 angstrom from atom at 12 in the cif file. | data_image0
_chemical_formula_structural Nd6Ru2O14
_chemical_formula_sum "Nd6 Ru2 O14"
_cell_length_a 6.60662235
_cell_length_b 6.606622350000001
_cell_length_c 7.52891995
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 112.20727569
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural Nd6Ru2O15
_chemical_formula_sum "Nd6 Ru2 O15"
_cell_length_a 6.60662235
_cell_length_b 6.606622350000001
_cell_length_c 7.52891995
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 112.20727569
_space_group_name_H-M_al... |
InsertBetweenAtomsAction | f412d45b-d5d9-4ea1-99d1-dfe60cfdad2d | mp-35143 | Insert a Cu atom in the line between atoms at indices 4 and 6, and the inserted atom must be 5.25 angstrom from atom at 4 in the cif file. | data_image0
_chemical_formula_structural Ba2Nb2S6
_chemical_formula_sum "Ba2 Nb2 S6"
_cell_length_a 6.95265609
_cell_length_b 6.95265518
_cell_length_c 5.73582701
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99998911000002
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ba2Nb2S6Cu
_chemical_formula_sum "Ba2 Nb2 S6 Cu1"
_cell_length_a 6.95265609
_cell_length_b 6.95265518
_cell_length_c 5.73582701
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99998911000002
_space_group_name_H-M... |
InsertBetweenAtomsAction | 140d6d6b-07ef-4a50-8fa2-22147e9e0378 | mp-1354855 | Insert a Co atom in the line between atoms at indices 24 and 41, and the inserted atom must be 3.81 angstrom from atom at 24 in the cif file. | data_image0
_chemical_formula_structural Ca6Ti12O24
_chemical_formula_sum "Ca6 Ti12 O24"
_cell_length_a 6.36776819
_cell_length_b 6.36776819
_cell_length_c 15.235737000000002
_cell_angle_alpha 89.08057055
_cell_angle_beta 89.08057055
_cell_angle_gamma 58.024068789999994
_... | data_image0
_chemical_formula_structural Ca6Ti12O24Co
_chemical_formula_sum "Ca6 Ti12 O24 Co1"
_cell_length_a 6.36776819
_cell_length_b 6.36776819
_cell_length_c 15.235737000000002
_cell_angle_alpha 89.08057055
_cell_angle_beta 89.08057055
_cell_angle_gamma 58.024068789999... |
InsertBetweenAtomsAction | e253ddec-964b-476b-942f-ee0fe0731dad | mp-1233843 | Insert a Te atom in the line between atoms at indices 9 and 0, and the inserted atom must be 1.37 angstrom from atom at 9 in the cif file. | data_image0
_chemical_formula_structural MgCo6O2F10
_chemical_formula_sum "Mg1 Co6 O2 F10"
_cell_length_a 5.20676922
_cell_length_b 5.20369253
_cell_length_c 9.241906809999998
_cell_angle_alpha 89.57896289
_cell_angle_beta 90.10114559
_cell_angle_gamma 99.40809487
_space_... | data_image0
_chemical_formula_structural MgCo6O2F10Te
_chemical_formula_sum "Mg1 Co6 O2 F10 Te1"
_cell_length_a 5.20676922
_cell_length_b 5.20369253
_cell_length_c 9.241906809999998
_cell_angle_alpha 89.57896289
_cell_angle_beta 90.10114559
_cell_angle_gamma 99.40809487
_... |
InsertBetweenAtomsAction | 167b263b-f401-4c30-ad8b-c3fd35f710a2 | mp-1246916 | Insert a O atom in the line between atoms at indices 0 and 6, and the inserted atom must be 0.85 angstrom from atom at 0 in the cif file. | data_image0
_chemical_formula_structural Mg2Ni10N8
_chemical_formula_sum "Mg2 Ni10 N8"
_cell_length_a 7.759587
_cell_length_b 6.009984
_cell_length_c 4.348536
_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 Mg2Ni10N8O
_chemical_formula_sum "Mg2 Ni10 N8 O1"
_cell_length_a 7.759587
_cell_length_b 6.009984
_cell_length_c 4.348536
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space... |
InsertBetweenAtomsAction | 7340ab96-3c72-4baf-be89-60288492531a | mp-1043721 | Insert a Sr atom in the line between atoms at indices 1 and 11, and the inserted atom must be 2.85 angstrom from atom at 1 in the cif file. | data_image0
_chemical_formula_structural Mg4Sn4Bi4O20
_chemical_formula_sum "Mg4 Sn4 Bi4 O20"
_cell_length_a 11.054845
_cell_length_b 5.442748
_cell_length_c 8.7199251
_cell_angle_alpha 68.83335382
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Mg4Sn4Bi4O20Sr
_chemical_formula_sum "Mg4 Sn4 Bi4 O20 Sr1"
_cell_length_a 11.054845
_cell_length_b 5.442748
_cell_length_c 8.7199251
_cell_angle_alpha 68.83335382
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_a... |
InsertBetweenAtomsAction | 72757fa4-71ba-43b7-85a5-0aafe7e65333 | mp-1026795 | Insert a Tc atom in the line between atoms at indices 1 and 13, and the inserted atom must be 1.00 angstrom from atom at 1 in the cif file. | data_image0
_chemical_formula_structural LiMg14W
_chemical_formula_sum "Li1 Mg14 W1"
_cell_length_a 6.29929991
_cell_length_b 6.299299410000001
_cell_length_c 9.95323684
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000267
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural LiMg14WTc
_chemical_formula_sum "Li1 Mg14 W1 Tc1"
_cell_length_a 6.29929991
_cell_length_b 6.299299410000001
_cell_length_c 9.95323684
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000267
_space_group_name_H-... |
InsertBetweenAtomsAction | ef1df736-30d8-48f3-b086-fcb197a04a59 | mp-763051 | Insert a La atom in the line between atoms at indices 15 and 8, and the inserted atom must be 4.81 angstrom from atom at 15 in the cif file. | data_image0
_chemical_formula_structural Li8V4O8F4
_chemical_formula_sum "Li8 V4 O8 F4"
_cell_length_a 5.13099459
_cell_length_b 5.93920482
_cell_length_c 7.86264398
_cell_angle_alpha 100.88303528999998
_cell_angle_beta 70.52889016
_cell_angle_gamma 90.00075203
_space_gro... | data_image0
_chemical_formula_structural Li8V4O8F4La
_chemical_formula_sum "Li8 V4 O8 F4 La1"
_cell_length_a 5.13099459
_cell_length_b 5.93920482
_cell_length_c 7.86264398
_cell_angle_alpha 100.88303528999998
_cell_angle_beta 70.52889016
_cell_angle_gamma 90.00075203
_spa... |
InsertBetweenAtomsAction | 9e229eef-74b3-4c4b-a831-ecb798c6b859 | mp-1227489 | Insert a He atom in the line between atoms at indices 20 and 32, and the inserted atom must be 8.00 angstrom from atom at 20 in the cif file. | data_image0
_chemical_formula_structural Ca2Al24O38
_chemical_formula_sum "Ca2 Al24 O38"
_cell_length_a 5.61109181
_cell_length_b 5.61109181
_cell_length_c 22.067731
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999779999999
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural Ca2Al24O38He
_chemical_formula_sum "Ca2 Al24 O38 He1"
_cell_length_a 5.61109181
_cell_length_b 5.61109181
_cell_length_c 22.067731
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999779999999
_space_group_name_... |
InsertBetweenAtomsAction | 133ea24c-79ed-446a-b9e6-8e6056f79c02 | mp-759328 | Insert a Zn atom in the line between atoms at indices 28 and 11, and the inserted atom must be 4.50 angstrom from atom at 28 in the cif file. | data_image0
_chemical_formula_structural Li4Ti4V6O20
_chemical_formula_sum "Li4 Ti4 V6 O20"
_cell_length_a 5.14849813
_cell_length_b 7.73748258
_cell_length_c 10.46219472
_cell_angle_alpha 104.39594751
_cell_angle_beta 103.46170253
_cell_angle_gamma 78.20151557
_space_gro... | data_image0
_chemical_formula_structural Li4Ti4V6O20Zn
_chemical_formula_sum "Li4 Ti4 V6 O20 Zn1"
_cell_length_a 5.14849813
_cell_length_b 7.73748258
_cell_length_c 10.46219472
_cell_angle_alpha 104.39594751
_cell_angle_beta 103.46170253
_cell_angle_gamma 78.20151557
_spa... |
InsertBetweenAtomsAction | 0de4d9a5-83bc-465a-aa84-6c3d0637ecfb | mp-1217947 | Insert a Be atom in the line between atoms at indices 17 and 34, and the inserted atom must be 3.93 angstrom from atom at 17 in the cif file. | data_image0
_chemical_formula_structural Ta4Nb4Ag8O24
_chemical_formula_sum "Ta4 Nb4 Ag8 O24"
_cell_length_a 5.614271
_cell_length_b 5.686728
_cell_length_c 15.851884
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_s... | data_image0
_chemical_formula_structural Ta4Nb4Ag8O24Be
_chemical_formula_sum "Ta4 Nb4 Ag8 O24 Be1"
_cell_length_a 5.614271
_cell_length_b 5.686728
_cell_length_c 15.851884
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... |
InsertBetweenAtomsAction | 70bb5bb9-17dc-439c-9d49-bc4372fccb4c | mp-17728 | Insert a Fe atom in the line between atoms at indices 10 and 5, and the inserted atom must be 0.66 angstrom from atom at 10 in the cif file. | data_image0
_chemical_formula_structural Ta12Ge4
_chemical_formula_sum "Ta12 Ge4"
_cell_length_a 5.16276376
_cell_length_b 7.76695316
_cell_length_c 7.766400059999999
_cell_angle_alpha 83.6458981
_cell_angle_beta 70.5954467
_cell_angle_gamma 70.59385505
_space_group_name_... | data_image0
_chemical_formula_structural Ta12Ge4Fe
_chemical_formula_sum "Ta12 Ge4 Fe1"
_cell_length_a 5.16276376
_cell_length_b 7.76695316
_cell_length_c 7.766400059999999
_cell_angle_alpha 83.6458981
_cell_angle_beta 70.5954467
_cell_angle_gamma 70.59385505
_space_group... |
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