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 |
|---|---|---|---|---|---|
AddAtomAction | bc23252b-0326-4540-a20c-edcb2a6bafb1 | mp-558850 | Add one Lv atom at the Cartesian coordinate [9.1 7.035 5.226] to the cif file. | data_image0
_chemical_formula_structural Rb2Nd2W4O16
_chemical_formula_sum "Rb2 Nd2 W4 O16"
_cell_length_a 7.76133376
_cell_length_b 7.76133376
_cell_length_c 7.59294762
_cell_angle_alpha 62.74418263
_cell_angle_beta 62.74418263
_cell_angle_gamma 89.31264594
_space_group_... | data_image0
_chemical_formula_structural Rb2Nd2W4O16Lv
_chemical_formula_sum "Rb2 Nd2 W4 O16 Lv1"
_cell_length_a 7.76133376
_cell_length_b 7.76133376
_cell_length_c 7.59294762
_cell_angle_alpha 62.74418263
_cell_angle_beta 62.74418263
_cell_angle_gamma 89.31264594
_space_... |
AddAtomAction | 053bd87a-4f75-4a10-95a1-59a9afbedb03 | mp-30276 | Add one Nh atom at the Cartesian coordinate [14.299 4.961 3.139] to the cif file. | data_image0
_chemical_formula_structural Ce20Ga10Cl8
_chemical_formula_sum "Ce20 Ga10 Cl8"
_cell_length_a 16.57767287
_cell_length_b 16.577672870000004
_cell_length_c 16.57767287
_cell_angle_alpha 152.84439716
_cell_angle_beta 152.84439716
_cell_angle_gamma 38.781467470000... | data_image0
_chemical_formula_structural Ce20Ga10Cl8Nh
_chemical_formula_sum "Ce20 Ga10 Cl8 Nh1"
_cell_length_a 16.57767287
_cell_length_b 16.577672870000004
_cell_length_c 16.57767287
_cell_angle_alpha 152.84439716
_cell_angle_beta 152.84439716
_cell_angle_gamma 38.781467... |
AddAtomAction | 69f48c74-9d36-4048-854f-02331614830c | mp-1246300 | Add one Ba atom at the Cartesian coordinate [0.274 3.558 9.044] to the cif file. | data_image0
_chemical_formula_structural Bi16Se12N8
_chemical_formula_sum "Bi16 Se12 N8"
_cell_length_a 7.18073703
_cell_length_b 11.15247521
_cell_length_c 11.08990782
_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 Bi16Se12N8Ba
_chemical_formula_sum "Bi16 Se12 N8 Ba1"
_cell_length_a 7.18073703
_cell_length_b 11.15247521
_cell_length_c 11.08990782
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
AddAtomAction | d1afc8f7-a978-4378-bf7d-9950212964bc | mp-5214 | Add one Hf atom at the Cartesian coordinate [3.631 3.3 0.05 ] to the cif file. | data_image0
_chemical_formula_structural Ti4Te12O32
_chemical_formula_sum "Ti4 Te12 O32"
_cell_length_a 9.53573741
_cell_length_b 9.53564435
_cell_length_c 9.53570518
_cell_angle_alpha 109.47124752
_cell_angle_beta 109.4706876
_cell_angle_gamma 109.47161738
_space_group_n... | data_image0
_chemical_formula_structural Ti4Te12O32Hf
_chemical_formula_sum "Ti4 Te12 O32 Hf1"
_cell_length_a 9.53573741
_cell_length_b 9.53564435
_cell_length_c 9.53570518
_cell_angle_alpha 109.47124752
_cell_angle_beta 109.4706876
_cell_angle_gamma 109.47161738
_space_g... |
AddAtomAction | 29f5ff6e-a52c-40bb-9ac8-3edb4a5140c3 | mp-18973 | Add one Xe atom at the Cartesian coordinate [3.42 3.603 6.224] to the cif file. | data_image0
_chemical_formula_structural Co4Se8O20
_chemical_formula_sum "Co4 Se8 O20"
_cell_length_a 6.03250795
_cell_length_b 6.854543640000001
_cell_length_c 10.32688205
_cell_angle_alpha 90.00041396
_cell_angle_beta 89.99939194000001
_cell_angle_gamma 89.99181073
_spa... | data_image0
_chemical_formula_structural Co4Se8O20Xe
_chemical_formula_sum "Co4 Se8 O20 Xe1"
_cell_length_a 6.03250795
_cell_length_b 6.854543640000001
_cell_length_c 10.32688205
_cell_angle_alpha 90.00041396
_cell_angle_beta 89.99939194000001
_cell_angle_gamma 89.99181073... |
AddAtomAction | bffdbe4e-3162-478a-b708-6b6bebf52c74 | mp-1079383 | Add one O atom at the Cartesian coordinate [3.801 5.184 1.482] to the cif file. | data_image0
_chemical_formula_structural Ce4In2Cu4
_chemical_formula_sum "Ce4 In2 Cu4"
_cell_length_a 8.380093
_cell_length_b 8.380093
_cell_length_c 3.154539
_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 Ce4In2Cu4O
_chemical_formula_sum "Ce4 In2 Cu4 O1"
_cell_length_a 8.380093
_cell_length_b 8.380093
_cell_length_c 3.154539
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space... |
AddAtomAction | 5558f6f5-f843-472d-885f-9c7c6081c3f0 | mp-772024 | Add one Si atom at the Cartesian coordinate [ 2.001 7.679 26.967] to the cif file. | data_image0
_chemical_formula_structural Ba12La4Br36
_chemical_formula_sum "Ba12 La4 Br36"
_cell_length_a 7.538961
_cell_length_b 8.100884
_cell_length_c 31.53521157
_cell_angle_alpha 87.93795992
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Ba12La4Br36Si
_chemical_formula_sum "Ba12 La4 Br36 Si1"
_cell_length_a 7.538961
_cell_length_b 8.100884
_cell_length_c 31.53521157
_cell_angle_alpha 87.93795992
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... |
AddAtomAction | f956894a-e48c-4735-a367-d813135e68e0 | mp-15514 | Add one Mt atom at the Cartesian coordinate [-4.003 1.065 5.886] to the cif file. | data_image0
_chemical_formula_structural Na8Se16
_chemical_formula_sum "Na8 Se16"
_cell_length_a 9.43549015
_cell_length_b 9.43548998
_cell_length_c 9.43548941
_cell_angle_alpha 101.08664555
_cell_angle_beta 113.81929890999999
_cell_angle_gamma 113.81929052
_space_group_n... | data_image0
_chemical_formula_structural Na8Se16Mt
_chemical_formula_sum "Na8 Se16 Mt1"
_cell_length_a 9.43549015
_cell_length_b 9.43548998
_cell_length_c 9.43548941
_cell_angle_alpha 101.08664555
_cell_angle_beta 113.81929890999999
_cell_angle_gamma 113.81929052
_space_g... |
AddAtomAction | 1d1cdef8-b5df-46b5-8a46-92541a7546b9 | mp-761166 | Add one Al atom at the Cartesian coordinate [2.458 0.27 0.263] to the cif file. | data_image0
_chemical_formula_structural Li2Fe2F6
_chemical_formula_sum "Li2 Fe2 F6"
_cell_length_a 5.26450736
_cell_length_b 5.26450736
_cell_length_c 5.58662632
_cell_angle_alpha 62.53720544
_cell_angle_beta 62.53720544
_cell_angle_gamma 59.64166649999999
_space_group_n... | data_image0
_chemical_formula_structural Li2Fe2F6Al
_chemical_formula_sum "Li2 Fe2 F6 Al1"
_cell_length_a 5.26450736
_cell_length_b 5.26450736
_cell_length_c 5.58662632
_cell_angle_alpha 62.53720544
_cell_angle_beta 62.53720544
_cell_angle_gamma 59.64166649999999
_space_g... |
AddAtomAction | 52f53cb0-b350-4cd5-9ee2-1bdb578f12cb | mp-1026435 | Add one Ru atom at the Cartesian coordinate [2.966 0.312 4.039] to the cif file. | data_image0
_chemical_formula_structural Mg14TiMo
_chemical_formula_sum "Mg14 Ti1 Mo1"
_cell_length_a 6.29406518
_cell_length_b 6.29406468
_cell_length_c 9.97224972
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000263999999
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Mg14TiMoRu
_chemical_formula_sum "Mg14 Ti1 Mo1 Ru1"
_cell_length_a 6.29406518
_cell_length_b 6.29406468
_cell_length_c 9.97224972
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000263999999
_space_group_name_H... |
AddAtomAction | 5e342da8-4af6-4b35-a2fb-c1935771a6bd | mp-1221912 | Add one La atom at the Cartesian coordinate [16.473 3.657 1.088] to the cif file. | data_image0
_chemical_formula_structural Mn2CrGa3S8
_chemical_formula_sum "Mn2 Cr1 Ga3 S8"
_cell_length_a 12.591627
_cell_length_b 12.591627
_cell_length_c 6.476595429999999
_cell_angle_alpha 85.14436659
_cell_angle_beta 85.14436659
_cell_angle_gamma 16.866044550000005
_s... | data_image0
_chemical_formula_structural Mn2CrGa3S8La
_chemical_formula_sum "Mn2 Cr1 Ga3 S8 La1"
_cell_length_a 12.591627
_cell_length_b 12.591627
_cell_length_c 6.476595429999999
_cell_angle_alpha 85.14436659
_cell_angle_beta 85.14436659
_cell_angle_gamma 16.8660445500000... |
AddAtomAction | a4d6a6a7-f72e-4e89-94a7-28fa977433af | mp-1229052 | Add one H atom at the Cartesian coordinate [15.048 5.695 7.317] to the cif file. | data_image0
_chemical_formula_structural Al41V4
_chemical_formula_sum "Al41 V4"
_cell_length_a 10.13341311
_cell_length_b 10.133404340000002
_cell_length_c 10.13343431
_cell_angle_alpha 60.00027868000001
_cell_angle_beta 60.00000942
_cell_angle_gamma 60.00008363
_space_gr... | data_image0
_chemical_formula_structural Al41V4H
_chemical_formula_sum "Al41 V4 H1"
_cell_length_a 10.13341311
_cell_length_b 10.133404340000002
_cell_length_c 10.13343431
_cell_angle_alpha 60.00027868000001
_cell_angle_beta 60.00000942
_cell_angle_gamma 60.00008363
_spac... |
AddAtomAction | dae771b4-0662-457a-ba34-890e1105284d | mp-1207687 | Add one Ts atom at the Cartesian coordinate [0.885 1.218 7.51 ] to the cif file. | data_image0
_chemical_formula_structural Zr8In12
_chemical_formula_sum "Zr8 In12"
_cell_length_a 6.867919
_cell_length_b 6.867919
_cell_length_c 11.447915710000002
_cell_angle_alpha 107.45542208
_cell_angle_beta 107.45542208
_cell_angle_gamma 90.0
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural Zr8In12Ts
_chemical_formula_sum "Zr8 In12 Ts1"
_cell_length_a 6.867919
_cell_length_b 6.867919
_cell_length_c 11.447915710000002
_cell_angle_alpha 107.45542208
_cell_angle_beta 107.45542208
_cell_angle_gamma 90.0
_space_group_name_... |
AddAtomAction | 6a61e0cd-dae1-49e9-8001-026d0a8a3695 | mp-1198393 | Add one Ni atom at the Cartesian coordinate [1.96 4.66 4.34] to the cif file. | data_image0
_chemical_formula_structural La4I12O38
_chemical_formula_sum "La4 I12 O38"
_cell_length_a 11.25767
_cell_length_b 7.444486
_cell_length_c 12.97375816
_cell_angle_alpha 57.35239296000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural La4I12O38Ni
_chemical_formula_sum "La4 I12 O38 Ni1"
_cell_length_a 11.25767
_cell_length_b 7.444486
_cell_length_c 12.97375816
_cell_angle_alpha 57.35239296000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_a... |
AddAtomAction | 323d1e40-382d-4620-8555-90a5e19a1eed | mp-1104062 | Add one Ho atom at the Cartesian coordinate [-1.542 3.263 1.835] to the cif file. | data_image0
_chemical_formula_structural Sr2Ga4Se8
_chemical_formula_sum "Sr2 Ga4 Se8"
_cell_length_a 6.32401618
_cell_length_b 6.32401618
_cell_length_c 11.02815678
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.35425012999998
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural Sr2Ga4Se8Ho
_chemical_formula_sum "Sr2 Ga4 Se8 Ho1"
_cell_length_a 6.32401618
_cell_length_b 6.32401618
_cell_length_c 11.02815678
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.35425012999998
_space_group_name_... |
AddAtomAction | d699e97e-eccf-47fb-9e03-1f2c5c5f2cc3 | mp-1105449 | Add one Ra atom at the Cartesian coordinate [1.512 3.341 1.313] to 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 Sm2Tl2P4Se12Ra
_chemical_formula_sum "Sm2 Tl2 P4 Se12 Ra1"
_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... |
AddAtomAction | fca48edd-ecb0-43d4-8dcc-deb1ae20050e | mp-1246014 | Add one Dy atom at the Cartesian coordinate [-3.013 5.447 2.894] to the cif file. | data_image0
_chemical_formula_structural Mg6In4N8
_chemical_formula_sum "Mg6 In4 N8"
_cell_length_a 6.5109743
_cell_length_b 8.86459398
_cell_length_c 5.63378613
_cell_angle_alpha 90.00000371
_cell_angle_beta 91.85940546
_cell_angle_gamma 132.90168955000001
_space_group_n... | data_image0
_chemical_formula_structural Mg6In4N8Dy
_chemical_formula_sum "Mg6 In4 N8 Dy1"
_cell_length_a 6.5109743
_cell_length_b 8.86459398
_cell_length_c 5.63378613
_cell_angle_alpha 90.00000371
_cell_angle_beta 91.85940546
_cell_angle_gamma 132.90168955000001
_space_g... |
AddAtomAction | b66dcdef-7e9f-4c8e-b3c6-d8e491e31a23 | mp-1190081 | Add one Hs atom at the Cartesian coordinate [ 1.068 -2.629 5.263] to the cif file. | data_image0
_chemical_formula_structural Ce4SiRh12
_chemical_formula_sum "Ce4 Si1 Rh12"
_cell_length_a 7.14632626
_cell_length_b 7.14632626
_cell_length_c 7.1463262599999995
_cell_angle_alpha 109.47133709
_cell_angle_beta 109.47133709
_cell_angle_gamma 109.47133709
_space... | data_image0
_chemical_formula_structural Ce4SiRh12Hs
_chemical_formula_sum "Ce4 Si1 Rh12 Hs1"
_cell_length_a 7.14632626
_cell_length_b 7.14632626
_cell_length_c 7.1463262599999995
_cell_angle_alpha 109.47133709
_cell_angle_beta 109.47133709
_cell_angle_gamma 109.47133709
... |
AddAtomAction | 1de81849-c500-4c42-8790-32c4194d4dc6 | mp-800259 | Add one Sm atom at the Cartesian coordinate [ 3.042 -0.709 2.776] to the cif file. | data_image0
_chemical_formula_structural Li5Cr3FeO8
_chemical_formula_sum "Li5 Cr3 Fe1 O8"
_cell_length_a 5.994255
_cell_length_b 5.9972526
_cell_length_c 6.05051969
_cell_angle_alpha 119.50204335000001
_cell_angle_beta 90.27845360999999
_cell_angle_gamma 119.8688950300000... | data_image0
_chemical_formula_structural Li5Cr3FeO8Sm
_chemical_formula_sum "Li5 Cr3 Fe1 O8 Sm1"
_cell_length_a 5.994255
_cell_length_b 5.9972526
_cell_length_c 6.05051969
_cell_angle_alpha 119.50204335000001
_cell_angle_beta 90.27845360999999
_cell_angle_gamma 119.8688950... |
AddAtomAction | 363f1475-0c80-450d-90c2-921c25de4804 | mp-1176748 | Add one Nb atom at the Cartesian coordinate [-1.155 4.124 2.592] to the cif file. | data_image0
_chemical_formula_structural LiCu3Si2O6
_chemical_formula_sum "Li1 Cu3 Si2 O6"
_cell_length_a 4.8388987
_cell_length_b 4.8388987
_cell_length_c 5.90468181
_cell_angle_alpha 82.15013831999998
_cell_angle_beta 82.15013831999998
_cell_angle_gamma 119.94564055
_sp... | data_image0
_chemical_formula_structural LiCu3Si2O6Nb
_chemical_formula_sum "Li1 Cu3 Si2 O6 Nb1"
_cell_length_a 4.8388987
_cell_length_b 4.8388987
_cell_length_c 5.90468181
_cell_angle_alpha 82.15013831999998
_cell_angle_beta 82.15013831999998
_cell_angle_gamma 119.9456405... |
AddAtomAction | 240ea937-f1d1-4070-9ac5-3c1d0816579b | mp-1203991 | Add one O atom at the Cartesian coordinate [-1.103 6.254 6.122] to the cif file. | data_image0
_chemical_formula_structural K2PdS8O26
_chemical_formula_sum "K2 Pd1 S8 O26"
_cell_length_a 7.585394
_cell_length_b 8.946963800000002
_cell_length_c 9.30551478
_cell_angle_alpha 106.89890428999999
_cell_angle_beta 89.10166062999998
_cell_angle_gamma 107.9369395... | data_image0
_chemical_formula_structural K2PdS8O27
_chemical_formula_sum "K2 Pd1 S8 O27"
_cell_length_a 7.585394
_cell_length_b 8.946963800000002
_cell_length_c 9.30551478
_cell_angle_alpha 106.89890428999999
_cell_angle_beta 89.10166062999998
_cell_angle_gamma 107.9369395... |
AddAtomAction | e7cd88aa-2120-44e5-8cb8-ccb8426cec0e | mp-1204031 | Add one Sn atom at the Cartesian coordinate [6.075 9.929 6.708] to the cif file. | data_image0
_chemical_formula_structural Zn6Se6O20
_chemical_formula_sum "Zn6 Se6 O20"
_cell_length_a 8.200582
_cell_length_b 8.33735723
_cell_length_c 8.80680441
_cell_angle_alpha 64.46594991999999
_cell_angle_beta 68.49848698
_cell_angle_gamma 68.82866477
_space_group_n... | data_image0
_chemical_formula_structural Zn6Se6O20Sn
_chemical_formula_sum "Zn6 Se6 O20 Sn1"
_cell_length_a 8.200582
_cell_length_b 8.33735723
_cell_length_c 8.80680441
_cell_angle_alpha 64.46594991999999
_cell_angle_beta 68.49848698
_cell_angle_gamma 68.82866477
_space_g... |
AddAtomAction | 77f506e9-cec9-485b-a36a-550cbef21a27 | mp-35143 | Add one Er atom at the Cartesian coordinate [-0.562 3.011 3.903] to 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 Ba2Nb2S6Er
_chemical_formula_sum "Ba2 Nb2 S6 Er1"
_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... |
AddAtomAction | 23471fe4-1960-44d6-b02b-84c3d56236ab | mp-1047596 | Add one Tb atom at the Cartesian coordinate [1.963 4.865 1.689] to the cif file. | data_image0
_chemical_formula_structural Zn4Bi8O16
_chemical_formula_sum "Zn4 Bi8 O16"
_cell_length_a 3.400661
_cell_length_b 10.694829
_cell_length_c 11.478749
_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 Zn4Bi8O16Tb
_chemical_formula_sum "Zn4 Bi8 O16 Tb1"
_cell_length_a 3.400661
_cell_length_b 10.694829
_cell_length_c 11.478749
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_s... |
AddAtomAction | 81cb9ead-8ce9-46d2-a2f2-2bc66706779e | mp-1522623 | Add one Sm atom at the Cartesian coordinate [4.669 1.8 4.653] to the cif file. | data_image0
_chemical_formula_structural BaCaNi4O12
_chemical_formula_sum "Ba1 Ca1 Ni4 O12"
_cell_length_a 5.53109635
_cell_length_b 5.53109635
_cell_length_c 7.7504093
_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 BaCaNi4O12Sm
_chemical_formula_sum "Ba1 Ca1 Ni4 O12 Sm1"
_cell_length_a 5.53109635
_cell_length_b 5.53109635
_cell_length_c 7.7504093
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
AddAtomAction | 295fbaf5-25dd-420e-ba4a-53529823a088 | mp-557667 | Add one Rf atom at the Cartesian coordinate [5.74 0.791 6.29 ] to the cif file. | data_image0
_chemical_formula_structural Ge9Pb15O33
_chemical_formula_sum "Ge9 Pb15 O33"
_cell_length_a 10.41003186
_cell_length_b 10.410031859999998
_cell_length_c 10.863788
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999909000002
_space_group_na... | data_image0
_chemical_formula_structural Ge9Pb15O33Rf
_chemical_formula_sum "Ge9 Pb15 O33 Rf1"
_cell_length_a 10.41003186
_cell_length_b 10.410031859999998
_cell_length_c 10.863788
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999909000002
_space_gr... |
AddAtomAction | 08ac4438-3eca-49d4-a9a4-5e24d316593c | mp-1032803 | Add one At atom at the Cartesian coordinate [4.907 0.496 4.251] to the cif file. | data_image0
_chemical_formula_structural Mg6MnZnO8
_chemical_formula_sum "Mg6 Mn1 Zn1 O8"
_cell_length_a 8.60024287
_cell_length_b 4.31000015
_cell_length_c 4.31000015
_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 Mg6MnZnO8At
_chemical_formula_sum "Mg6 Mn1 Zn1 O8 At1"
_cell_length_a 8.60024287
_cell_length_b 4.31000015
_cell_length_c 4.31000015
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... |
AddAtomAction | a63d933f-8287-4de2-9fa7-474ffab83472 | mp-1211316 | Add one Ru atom at the Cartesian coordinate [4.31 3.214 0.273] to the cif file. | data_image0
_chemical_formula_structural K2V4Ag2O12
_chemical_formula_sum "K2 V4 Ag2 O12"
_cell_length_a 7.44997499
_cell_length_b 7.44997499
_cell_length_c 5.90457238
_cell_angle_alpha 79.77023346
_cell_angle_beta 79.77023346
_cell_angle_gamma 85.51389708
_space_group_na... | data_image0
_chemical_formula_structural K2V4Ag2O12Ru
_chemical_formula_sum "K2 V4 Ag2 O12 Ru1"
_cell_length_a 7.44997499
_cell_length_b 7.44997499
_cell_length_c 5.90457238
_cell_angle_alpha 79.77023346
_cell_angle_beta 79.77023346
_cell_angle_gamma 85.51389708
_space_gr... |
AddAtomAction | 35922937-d0c4-4042-a8ae-275984fce813 | mp-1247150 | Add one Cm atom at the Cartesian coordinate [7.311 2.881 4.618] to the cif file. | data_image0
_chemical_formula_structural Li4Mn24N28
_chemical_formula_sum "Li4 Mn24 N28"
_cell_length_a 13.00233388
_cell_length_b 5.65481
_cell_length_c 7.95383811
_cell_angle_alpha 90.0
_cell_angle_beta 82.02367282
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Li4Mn24N28Cm
_chemical_formula_sum "Li4 Mn24 N28 Cm1"
_cell_length_a 13.00233388
_cell_length_b 5.65481
_cell_length_c 7.95383811
_cell_angle_alpha 90.0
_cell_angle_beta 82.02367282
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
AddAtomAction | c0f0d255-aa06-41dd-8e16-e136de698a45 | mp-1103827 | Add one Sm atom at the Cartesian coordinate [-1.191 3.022 2.817] to the cif file. | data_image0
_chemical_formula_structural Cu2N4F8
_chemical_formula_sum "Cu2 N4 F8"
_cell_length_a 6.85040463
_cell_length_b 6.85040463
_cell_length_c 5.730675
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 130.56855975000002
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Cu2N4F8Sm
_chemical_formula_sum "Cu2 N4 F8 Sm1"
_cell_length_a 6.85040463
_cell_length_b 6.85040463
_cell_length_c 5.730675
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 130.56855975000002
_space_group_name_H-M_alt... |
AddAtomAction | 62d7fd16-f936-4b32-8f6c-7b6197f6e0f2 | mp-1048365 | Add one Xe atom at the Cartesian coordinate [21.985 2.294 0.339] to the cif file. | data_image0
_chemical_formula_structural Y2Cu3O6
_chemical_formula_sum "Y2 Cu3 O6"
_cell_length_a 18.52778685
_cell_length_b 6.30067658
_cell_length_c 6.30067686
_cell_angle_alpha 32.74254941000001
_cell_angle_beta 31.96551137
_cell_angle_gamma 31.96550588999998
_space_gr... | data_image0
_chemical_formula_structural Y2Cu3O6Xe
_chemical_formula_sum "Y2 Cu3 O6 Xe1"
_cell_length_a 18.52778685
_cell_length_b 6.30067658
_cell_length_c 6.30067686
_cell_angle_alpha 32.74254941000001
_cell_angle_beta 31.96551137
_cell_angle_gamma 31.96550588999998
_sp... |
AddAtomAction | 256833fa-8e6e-4838-840d-ca990c5d3664 | mp-1188402 | Add one Xe atom at the Cartesian coordinate [-0.022 0.48 3.696] to the cif file. | data_image0
_chemical_formula_structural Cu3Mo2H2O10
_chemical_formula_sum "Cu3 Mo2 H2 O10"
_cell_length_a 5.86853367
_cell_length_b 5.736943139999999
_cell_length_c 7.85002799
_cell_angle_alpha 103.47643980999999
_cell_angle_beta 111.61979821
_cell_angle_gamma 94.00059654... | data_image0
_chemical_formula_structural Cu3Mo2H2O10Xe
_chemical_formula_sum "Cu3 Mo2 H2 O10 Xe1"
_cell_length_a 5.86853367
_cell_length_b 5.736943139999999
_cell_length_c 7.85002799
_cell_angle_alpha 103.47643980999999
_cell_angle_beta 111.61979821
_cell_angle_gamma 94.00... |
AddAtomAction | 556522f0-e90c-4164-9df5-c68236efff07 | mp-1212423 | Add one Zn atom at the Cartesian coordinate [5.617 0.878 0.941] to the cif file. | data_image0
_chemical_formula_structural Ho12In3Fe2
_chemical_formula_sum "Ho12 In3 Fe2"
_cell_length_a 8.42112116
_cell_length_b 8.42112179
_cell_length_c 8.42111934
_cell_angle_alpha 110.11209296
_cell_angle_beta 110.11212551
_cell_angle_gamma 108.19690694
_space_group_... | data_image0
_chemical_formula_structural Ho12In3Fe2Zn
_chemical_formula_sum "Ho12 In3 Fe2 Zn1"
_cell_length_a 8.42112116
_cell_length_b 8.42112179
_cell_length_c 8.42111934
_cell_angle_alpha 110.11209296
_cell_angle_beta 110.11212551
_cell_angle_gamma 108.19690694
_space_... |
AddAtomAction | 96320b6d-e934-437b-b033-bfb6a55f4823 | mp-1644899 | Add one Ir atom at the Cartesian coordinate [3.431 2.15 1.054] to the cif file. | data_image0
_chemical_formula_structural Li6V4C8O24
_chemical_formula_sum "Li6 V4 C8 O24"
_cell_length_a 7.66037472
_cell_length_b 7.65804484
_cell_length_c 8.93045906
_cell_angle_alpha 106.1839728
_cell_angle_beta 106.37065208
_cell_angle_gamma 72.72422425
_space_group_n... | data_image0
_chemical_formula_structural Li6V4C8O24Ir
_chemical_formula_sum "Li6 V4 C8 O24 Ir1"
_cell_length_a 7.66037472
_cell_length_b 7.65804484
_cell_length_c 8.93045906
_cell_angle_alpha 106.1839728
_cell_angle_beta 106.37065208
_cell_angle_gamma 72.72422425
_space_g... |
AddAtomAction | 4868aa91-a0a1-405d-8c1e-a71134b249f9 | mp-1188929 | Add one In atom at the Cartesian coordinate [2.922 2.168 8.301] to the cif file. | data_image0
_chemical_formula_structural Ti2Nb6S12
_chemical_formula_sum "Ti2 Nb6 S12"
_cell_length_a 5.81280398
_cell_length_b 5.81266
_cell_length_c 12.53619922
_cell_angle_alpha 89.99977779999999
_cell_angle_beta 89.99973722999998
_cell_angle_gamma 119.98633039
_space_... | data_image0
_chemical_formula_structural Ti2Nb6S12In
_chemical_formula_sum "Ti2 Nb6 S12 In1"
_cell_length_a 5.81280398
_cell_length_b 5.81266
_cell_length_c 12.53619922
_cell_angle_alpha 89.99977779999999
_cell_angle_beta 89.99973722999998
_cell_angle_gamma 119.98633039
_... |
AddAtomAction | 4958b493-ea30-40f5-a667-89b77c651d07 | mp-752456 | Add one Gd atom at the Cartesian coordinate [2.9 1.955 7.535] to the cif file. | data_image0
_chemical_formula_structural Fe4O2F6
_chemical_formula_sum "Fe4 O2 F6"
_cell_length_a 3.105808
_cell_length_b 4.851217
_cell_length_c 9.688965
_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 Fe4O2F6Gd
_chemical_formula_sum "Fe4 O2 F6 Gd1"
_cell_length_a 3.105808
_cell_length_b 4.851217
_cell_length_c 9.688965
_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... |
AddAtomAction | 1e91da28-27f0-4e9e-99ca-2f8a26b9d8de | mp-573815 | Add one Sb atom at the Cartesian coordinate [0.599 1.25 7.392] to the cif file. | data_image0
_chemical_formula_structural Re6I18
_chemical_formula_sum "Re6 I18"
_cell_length_a 9.08663881
_cell_length_b 9.82904721
_cell_length_c 11.38253715
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 108.68012977
_space_group_name_H-M_alt "P 1"
_s... | data_image0
_chemical_formula_structural Re6I18Sb
_chemical_formula_sum "Re6 I18 Sb1"
_cell_length_a 9.08663881
_cell_length_b 9.82904721
_cell_length_c 11.38253715
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 108.68012977
_space_group_name_H-M_alt "P... |
AddAtomAction | cea4ebac-b794-4df5-8c23-cdeffb223643 | mp-568136 | Add one Nb atom at the Cartesian coordinate [6.639 1.364 3.974] to the cif file. | data_image0
_chemical_formula_structural Rb6V6Br18
_chemical_formula_sum "Rb6 V6 Br18"
_cell_length_a 12.89200448
_cell_length_b 12.891954179999999
_cell_length_c 6.45834038
_cell_angle_alpha 90.00080995
_cell_angle_beta 89.99957499999998
_cell_angle_gamma 119.999950160000... | data_image0
_chemical_formula_structural Rb6V6Br18Nb
_chemical_formula_sum "Rb6 V6 Br18 Nb1"
_cell_length_a 12.89200448
_cell_length_b 12.891954179999999
_cell_length_c 6.45834038
_cell_angle_alpha 90.00080995
_cell_angle_beta 89.99957499999998
_cell_angle_gamma 119.999950... |
AddAtomAction | 6a5274de-fca8-4cc8-8227-35134ded3357 | mp-1217691 | Add one As atom at the Cartesian coordinate [16.652 4.325 4.645] to the cif file. | data_image0
_chemical_formula_structural Tb3DyAl8
_chemical_formula_sum "Tb3 Dy1 Al8"
_cell_length_a 9.61162833
_cell_length_b 9.61162833
_cell_length_c 9.61162834
_cell_angle_alpha 33.54500062
_cell_angle_beta 33.54500062
_cell_angle_gamma 33.545002190000005
_space_group... | data_image0
_chemical_formula_structural Tb3DyAl8As
_chemical_formula_sum "Tb3 Dy1 Al8 As1"
_cell_length_a 9.61162833
_cell_length_b 9.61162833
_cell_length_c 9.61162834
_cell_angle_alpha 33.54500062
_cell_angle_beta 33.54500062
_cell_angle_gamma 33.545002190000005
_space... |
AddAtomAction | 19a140cc-90d8-42bb-bd05-53ffb0f58bca | mp-1226415 | Add one Cn atom at the Cartesian coordinate [1.774 4.636 0.779] to the cif file. | data_image0
_chemical_formula_structural Co4Mo4O19
_chemical_formula_sum "Co4 Mo4 O19"
_cell_length_a 6.872225
_cell_length_b 6.94423398
_cell_length_c 9.42774129
_cell_angle_alpha 76.97480465
_cell_angle_beta 81.31897182
_cell_angle_gamma 74.9666926
_space_group_name_H-M... | data_image0
_chemical_formula_structural Co4Mo4O19Cn
_chemical_formula_sum "Co4 Mo4 O19 Cn1"
_cell_length_a 6.872225
_cell_length_b 6.94423398
_cell_length_c 9.42774129
_cell_angle_alpha 76.97480465
_cell_angle_beta 81.31897182
_cell_angle_gamma 74.9666926
_space_group_na... |
AddAtomAction | 2bef501f-67d5-4692-a238-04252320c874 | mp-1336298 | Add one S atom at the Cartesian coordinate [ 4.122 5.53 10.195] to the cif file. | data_image0
_chemical_formula_structural Al8Hg20Se32
_chemical_formula_sum "Al8 Hg20 Se32"
_cell_length_a 8.404517
_cell_length_b 8.44335121
_cell_length_c 27.9220542
_cell_angle_alpha 97.16799001
_cell_angle_beta 90.48170215
_cell_angle_gamma 118.44816971
_space_group_na... | data_image0
_chemical_formula_structural Al8Hg20Se32S
_chemical_formula_sum "Al8 Hg20 Se32 S1"
_cell_length_a 8.404517
_cell_length_b 8.44335121
_cell_length_c 27.9220542
_cell_angle_alpha 97.16799001
_cell_angle_beta 90.48170215
_cell_angle_gamma 118.44816971
_space_grou... |
AddAtomAction | 22946aa6-ef3b-412e-afd6-bce83ca89480 | mp-759254 | Add one Cu atom at the Cartesian coordinate [8.526 2.217 0.325] to the cif file. | data_image0
_chemical_formula_structural Li2Bi8P14O48
_chemical_formula_sum "Li2 Bi8 P14 O48"
_cell_length_a 11.00550326
_cell_length_b 11.136804660000001
_cell_length_c 11.62396838
_cell_angle_alpha 112.28091033
_cell_angle_beta 108.88945785
_cell_angle_gamma 104.86187664... | data_image0
_chemical_formula_structural Li2Bi8P14O48Cu
_chemical_formula_sum "Li2 Bi8 P14 O48 Cu1"
_cell_length_a 11.00550326
_cell_length_b 11.136804660000001
_cell_length_c 11.62396838
_cell_angle_alpha 112.28091033
_cell_angle_beta 108.88945785
_cell_angle_gamma 104.86... |
AddAtomAction | d0684698-c106-4d54-8bd3-d69632bebc92 | mp-1643079 | Add one Eu atom at the Cartesian coordinate [2.064 5.675 4.027] to the cif file. | data_image0
_chemical_formula_structural Li8Mn4O8F4
_chemical_formula_sum "Li8 Mn4 O8 F4"
_cell_length_a 4.606584
_cell_length_b 5.690833
_cell_length_c 8.710385
_cell_angle_alpha 90.00049817
_cell_angle_beta 89.99997441
_cell_angle_gamma 89.99995499
_space_group_name_H-M... | data_image0
_chemical_formula_structural Li8Mn4O8F4Eu
_chemical_formula_sum "Li8 Mn4 O8 F4 Eu1"
_cell_length_a 4.606584
_cell_length_b 5.690833
_cell_length_c 8.710385
_cell_angle_alpha 90.00049817
_cell_angle_beta 89.99997441
_cell_angle_gamma 89.99995499
_space_group_na... |
AddAtomAction | 012b0f00-a6ee-4e26-be08-c3821c34fdaf | mp-779298 | Add one Na atom at the Cartesian coordinate [2.01 3.689 5.87 ] to the cif file. | data_image0
_chemical_formula_structural Mn8O13F3
_chemical_formula_sum "Mn8 O13 F3"
_cell_length_a 4.495611
_cell_length_b 4.97141401
_cell_length_c 11.0541015
_cell_angle_alpha 89.55388368000001
_cell_angle_beta 87.76097084999999
_cell_angle_gamma 89.41852835
_space_gro... | data_image0
_chemical_formula_structural Mn8O13F3Na
_chemical_formula_sum "Mn8 O13 F3 Na1"
_cell_length_a 4.495611
_cell_length_b 4.97141401
_cell_length_c 11.0541015
_cell_angle_alpha 89.55388368000001
_cell_angle_beta 87.76097084999999
_cell_angle_gamma 89.41852835
_spa... |
AddAtomAction | dc1407f8-cc4b-45bd-9751-f9de837d1f42 | mp-1200095 | Add one Rg atom at the Cartesian coordinate [0.968 2.154 0.293] to the cif file. | data_image0
_chemical_formula_structural Sr4Np4P8O32
_chemical_formula_sum "Sr4 Np4 P8 O32"
_cell_length_a 6.97722498
_cell_length_b 6.97722498
_cell_length_c 13.390688
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 99.23259073
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Sr4Np4P8O32Rg
_chemical_formula_sum "Sr4 Np4 P8 O32 Rg1"
_cell_length_a 6.97722498
_cell_length_b 6.97722498
_cell_length_c 13.390688
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 99.23259073
_space_group_name_H-M_... |
AddAtomAction | 59652691-8490-4179-95bc-75162899d8ae | mp-569862 | Add one Mn atom at the Cartesian coordinate [ 7.258 3.677 18.371] to the cif file. | data_image0
_chemical_formula_structural Rb8P4Se18
_chemical_formula_sum "Rb8 P4 Se18"
_cell_length_a 7.22549953
_cell_length_b 7.2254675100000005
_cell_length_c 19.33043277
_cell_angle_alpha 87.82479973999999
_cell_angle_beta 87.82577989999999
_cell_angle_gamma 94.7290038... | data_image0
_chemical_formula_structural Rb8P4Se18Mn
_chemical_formula_sum "Rb8 P4 Se18 Mn1"
_cell_length_a 7.22549953
_cell_length_b 7.2254675100000005
_cell_length_c 19.33043277
_cell_angle_alpha 87.82479973999999
_cell_angle_beta 87.82577989999999
_cell_angle_gamma 94.7... |
AddAtomAction | dbcd220f-7bcb-44ee-a056-60234f47f631 | mp-1191974 | Add one Mg atom at the Cartesian coordinate [10.722 1.24 6.287] to the cif file. | data_image0
_chemical_formula_structural Ca2Ge2P4O16
_chemical_formula_sum "Ca2 Ge2 P4 O16"
_cell_length_a 8.37962501
_cell_length_b 8.37962501
_cell_length_c 7.84020248
_cell_angle_alpha 64.56117764
_cell_angle_beta 64.56117764
_cell_angle_gamma 35.94561599
_space_group_... | data_image0
_chemical_formula_structural Ca2Ge2P4O16Mg
_chemical_formula_sum "Ca2 Ge2 P4 O16 Mg1"
_cell_length_a 8.37962501
_cell_length_b 8.37962501
_cell_length_c 7.84020248
_cell_angle_alpha 64.56117764
_cell_angle_beta 64.56117764
_cell_angle_gamma 35.94561599
_space_... |
AddAtomAction | d708f6ce-13b9-498c-b4a2-c37ae183269f | mp-1192809 | Add one Md atom at the Cartesian coordinate [5.474 2.519 7.03 ] to the cif file. | data_image0
_chemical_formula_structural Ag4N12O12
_chemical_formula_sum "Ag4 N12 O12"
_cell_length_a 6.029281
_cell_length_b 7.930658
_cell_length_c 10.435859
_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 Ag4N12O12Md
_chemical_formula_sum "Ag4 N12 O12 Md1"
_cell_length_a 6.029281
_cell_length_b 7.930658
_cell_length_c 10.435859
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_sp... |
AddAtomAction | 03983d63-0465-4d32-ace6-1ea1e1c97b47 | mp-779754 | Add one Ir atom at the Cartesian coordinate [9.911 7.412 5.277] to the cif file. | data_image0
_chemical_formula_structural Na10Ni4As2C8O32
_chemical_formula_sum "Na10 Ni4 As2 C8 O32"
_cell_length_a 9.95923284
_cell_length_b 9.952258090000003
_cell_length_c 9.93538448
_cell_angle_alpha 60.10249329000001
_cell_angle_beta 60.03277886
_cell_angle_gamma 59.8... | data_image0
_chemical_formula_structural Na10Ni4As2C8O32Ir
_chemical_formula_sum "Na10 Ni4 As2 C8 O32 Ir1"
_cell_length_a 9.95923284
_cell_length_b 9.952258090000003
_cell_length_c 9.93538448
_cell_angle_alpha 60.10249329000001
_cell_angle_beta 60.03277886
_cell_angle_gamma ... |
AddAtomAction | 8c52d92b-2c8c-4a5b-b963-91cf3151b707 | mp-771953 | Add one Pr atom at the Cartesian coordinate [0.267 4.081 6.674] to 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 Li4Nb2Ni6O16Pr
_chemical_formula_sum "Li4 Nb2 Ni6 O16 Pr1"
_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-... |
AddAtomAction | 7134313a-ca3e-45a5-b9d5-e5ea97e8b172 | mp-1021352 | Add one Cs atom at the Cartesian coordinate [4.651 2.08 3.47 ] to the cif file. | data_image0
_chemical_formula_structural Mg12Ti2Nb2
_chemical_formula_sum "Mg12 Ti2 Nb2"
_cell_length_a 4.863481
_cell_length_b 6.094816
_cell_length_c 11.228815
_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 Mg12Ti2Nb2Cs
_chemical_formula_sum "Mg12 Ti2 Nb2 Cs1"
_cell_length_a 4.863481
_cell_length_b 6.094816
_cell_length_c 11.228815
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
AddAtomAction | 6b7f402d-c54b-44b3-a317-6739b44bd4a3 | mp-616196 | Add one V atom at the Cartesian coordinate [5.578 2.583 4.445] to the cif file. | data_image0
_chemical_formula_structural Os2C6I4O6
_chemical_formula_sum "Os2 C6 I4 O6"
_cell_length_a 6.82384482
_cell_length_b 6.82384482
_cell_length_c 9.83623365
_cell_angle_alpha 75.91690472
_cell_angle_beta 75.91690472
_cell_angle_gamma 69.75854996
_space_group_name... | data_image0
_chemical_formula_structural Os2C6I4O6V
_chemical_formula_sum "Os2 C6 I4 O6 V1"
_cell_length_a 6.82384482
_cell_length_b 6.82384482
_cell_length_c 9.83623365
_cell_angle_alpha 75.91690472
_cell_angle_beta 75.91690472
_cell_angle_gamma 69.75854996
_space_group_... |
AddAtomAction | 88b8c45b-1cd1-419e-b961-1d33e1840ddb | mp-757370 | Add one Si atom at the Cartesian coordinate [3.083 6.248 6.16 ] to the cif file. | data_image0
_chemical_formula_structural Ti5Fe11O24
_chemical_formula_sum "Ti5 Fe11 O24"
_cell_length_a 5.539158
_cell_length_b 9.14850058
_cell_length_c 9.16015664
_cell_angle_alpha 68.49942817
_cell_angle_beta 85.28037202000002
_cell_angle_gamma 85.01354387
_space_group... | data_image0
_chemical_formula_structural Ti5Fe11O24Si
_chemical_formula_sum "Ti5 Fe11 O24 Si1"
_cell_length_a 5.539158
_cell_length_b 9.14850058
_cell_length_c 9.16015664
_cell_angle_alpha 68.49942817
_cell_angle_beta 85.28037202000002
_cell_angle_gamma 85.01354387
_space... |
AddAtomAction | 9d3ffbde-f721-49e2-b3d8-9d93496c20fd | mp-1177530 | Add one Yb atom at the Cartesian coordinate [3.026 4.094 0.114] to the cif file. | data_image0
_chemical_formula_structural Li4Mn2Ni3Sn3O16
_chemical_formula_sum "Li4 Mn2 Ni3 Sn3 O16"
_cell_length_a 6.03544694
_cell_length_b 6.03544694
_cell_length_c 9.53802986
_cell_angle_alpha 89.87409019
_cell_angle_beta 89.87409019
_cell_angle_gamma 60.49918437000001... | data_image0
_chemical_formula_structural Li4Mn2Ni3Sn3O16Yb
_chemical_formula_sum "Li4 Mn2 Ni3 Sn3 O16 Yb1"
_cell_length_a 6.03544694
_cell_length_b 6.03544694
_cell_length_c 9.53802986
_cell_angle_alpha 89.87409019
_cell_angle_beta 89.87409019
_cell_angle_gamma 60.49918437... |
AddAtomAction | 614fec41-fd19-41d4-834c-cbd5a56967e3 | mp-1035975 | Add one Yb atom at the Cartesian coordinate [7.153 8.588 0.976] to the cif file. | data_image0
_chemical_formula_structural YMg14SnO16
_chemical_formula_sum "Y1 Mg14 Sn1 O16"
_cell_length_a 8.842513
_cell_length_b 8.842513
_cell_length_c 4.451059
_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 YMg14SnO16Yb
_chemical_formula_sum "Y1 Mg14 Sn1 O16 Yb1"
_cell_length_a 8.842513
_cell_length_b 8.842513
_cell_length_c 4.451059
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... |
AddAtomAction | a6ac2b89-f9a0-4c9e-a612-659d583c48ac | mp-38951 | Add one Pr atom at the Cartesian coordinate [4.723 4.608 1.712] to the cif file. | data_image0
_chemical_formula_structural Mg2Ga4O8
_chemical_formula_sum "Mg2 Ga4 O8"
_cell_length_a 5.85014315
_cell_length_b 5.850142989999999
_cell_length_c 5.9059647
_cell_angle_alpha 59.68385123000001
_cell_angle_beta 59.68384724
_cell_angle_gamma 59.68611803999999
_s... | data_image0
_chemical_formula_structural Mg2Ga4O8Pr
_chemical_formula_sum "Mg2 Ga4 O8 Pr1"
_cell_length_a 5.85014315
_cell_length_b 5.850142989999999
_cell_length_c 5.9059647
_cell_angle_alpha 59.68385123000001
_cell_angle_beta 59.68384724
_cell_angle_gamma 59.686118039999... |
AddAtomAction | 68c5b8c1-ce9b-497f-84c1-6adf251f4711 | mp-2227841 | Add one Cs atom at the Cartesian coordinate [-0.303 2.122 2.543] to the cif file. | data_image0
_chemical_formula_structural Tm2MgV2O8
_chemical_formula_sum "Tm2 Mg1 V2 O8"
_cell_length_a 6.01689922
_cell_length_b 6.01689898
_cell_length_c 6.16204598
_cell_angle_alpha 106.12743468
_cell_angle_beta 106.12742743000001
_cell_angle_gamma 115.30210931
_space_... | data_image0
_chemical_formula_structural Tm2MgV2O8Cs
_chemical_formula_sum "Tm2 Mg1 V2 O8 Cs1"
_cell_length_a 6.01689922
_cell_length_b 6.01689898
_cell_length_c 6.16204598
_cell_angle_alpha 106.12743468
_cell_angle_beta 106.12742743000001
_cell_angle_gamma 115.30210931
_... |
AddAtomAction | 748a5b9e-7efe-4981-84f3-011be5a9788e | mp-1235688 | Add one Ts atom at the Cartesian coordinate [4.972 3.799 5.534] to the cif file. | data_image0
_chemical_formula_structural RbLiCu2H3S2O10
_chemical_formula_sum "Rb1 Li1 Cu2 H3 S2 O10"
_cell_length_a 5.93216975
_cell_length_b 5.92723735
_cell_length_c 7.79515509
_cell_angle_alpha 74.74008437
_cell_angle_beta 82.56761922
_cell_angle_gamma 118.980709840000... | data_image0
_chemical_formula_structural RbLiCu2H3S2O10Ts
_chemical_formula_sum "Rb1 Li1 Cu2 H3 S2 O10 Ts1"
_cell_length_a 5.93216975
_cell_length_b 5.92723735
_cell_length_c 7.79515509
_cell_angle_alpha 74.74008437
_cell_angle_beta 82.56761922
_cell_angle_gamma 118.980709... |
AddAtomAction | 40be95bc-159c-4e07-bc09-5345a724dfaf | mp-1219272 | Add one Ga atom at the Cartesian coordinate [7.254 1.807 7.22 ] to the cif file. | data_image0
_chemical_formula_structural Sm4CrFe33C4
_chemical_formula_sum "Sm4 Cr1 Fe33 C4"
_cell_length_a 6.50403639
_cell_length_b 6.48021192
_cell_length_c 13.00634797
_cell_angle_alpha 83.55663481
_cell_angle_beta 83.5493849
_cell_angle_gamma 83.68356637
_space_group... | data_image0
_chemical_formula_structural Sm4CrFe33C4Ga
_chemical_formula_sum "Sm4 Cr1 Fe33 C4 Ga1"
_cell_length_a 6.50403639
_cell_length_b 6.48021192
_cell_length_c 13.00634797
_cell_angle_alpha 83.55663481
_cell_angle_beta 83.5493849
_cell_angle_gamma 83.68356637
_space... |
AddAtomAction | b2d54c7c-b548-4cb9-bda1-589c14eea68b | mp-22575 | Add one Ts atom at the Cartesian coordinate [1.925 6.492 9.517] to the cif file. | data_image0
_chemical_formula_structural Sc12As8
_chemical_formula_sum "Sc12 As8"
_cell_length_a 3.83119668
_cell_length_b 10.43635929
_cell_length_c 10.33871181
_cell_angle_alpha 89.99998295
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural Sc12As8Ts
_chemical_formula_sum "Sc12 As8 Ts1"
_cell_length_a 3.83119668
_cell_length_b 10.43635929
_cell_length_c 10.33871181
_cell_angle_alpha 89.99998295
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
AddAtomAction | 158c9ac3-b34a-4c3e-a0f2-b1b5ff5a7c63 | mp-1026581 | Add one Mo atom at the Cartesian coordinate [-1.218 2.166 0.9 ] to the cif file. | data_image0
_chemical_formula_structural BaSrMg14
_chemical_formula_sum "Ba1 Sr1 Mg14"
_cell_length_a 6.76431275
_cell_length_b 6.70564346
_cell_length_c 10.82343123
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.71350604000001
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural BaSrMg14Mo
_chemical_formula_sum "Ba1 Sr1 Mg14 Mo1"
_cell_length_a 6.76431275
_cell_length_b 6.70564346
_cell_length_c 10.82343123
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.71350604000001
_space_group_name_... |
AddAtomAction | f7f8280c-fd88-41c2-9d5a-2b65afb218e8 | mp-684816 | Add one Cr atom at the Cartesian coordinate [5.206 0.573 6.873] to the cif file. | data_image0
_chemical_formula_structural K4Na2Nb2O4F8
_chemical_formula_sum "K4 Na2 Nb2 O4 F8"
_cell_length_a 6.078101
_cell_length_b 6.08342755
_cell_length_c 8.639495609999999
_cell_angle_alpha 89.814529
_cell_angle_beta 89.94245549000001
_cell_angle_gamma 89.97564418
_... | data_image0
_chemical_formula_structural K4Na2Nb2O4F8Cr
_chemical_formula_sum "K4 Na2 Nb2 O4 F8 Cr1"
_cell_length_a 6.078101
_cell_length_b 6.08342755
_cell_length_c 8.639495609999999
_cell_angle_alpha 89.814529
_cell_angle_beta 89.94245549000001
_cell_angle_gamma 89.97564... |
AddAtomAction | 1c85725b-456f-40dd-a93a-9b5f120dd401 | mp-1232221 | Add one U atom at the Cartesian coordinate [1.483 7.732 5.096] to the cif file. | data_image0
_chemical_formula_structural Pm4Se8
_chemical_formula_sum "Pm4 Se8"
_cell_length_a 4.16700646
_cell_length_b 8.38218923
_cell_length_c 8.46326189
_cell_angle_alpha 89.80386038
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... | data_image0
_chemical_formula_structural Pm4Se8U
_chemical_formula_sum "Pm4 Se8 U1"
_cell_length_a 4.16700646
_cell_length_b 8.38218923
_cell_length_c 8.46326189
_cell_angle_alpha 89.80386038
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... |
AddAtomAction | 97c2f8f8-ccb8-410d-b588-cdb209b9ce7a | mp-1017477 | Add one Rg atom at the Cartesian coordinate [3.541 0.925 2.508] to the cif file. | data_image0
_chemical_formula_structural La2Mg12W2
_chemical_formula_sum "La2 Mg12 W2"
_cell_length_a 5.020477
_cell_length_b 6.432658
_cell_length_c 11.360022
_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 La2Mg12W2Rg
_chemical_formula_sum "La2 Mg12 W2 Rg1"
_cell_length_a 5.020477
_cell_length_b 6.432658
_cell_length_c 11.360022
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_sp... |
AddAtomAction | 5dfd4512-4709-4603-bc14-ea90634b872c | mp-753255 | Add one Fr atom at the Cartesian coordinate [2.409 4.124 2.895] to the cif file. | data_image0
_chemical_formula_structural Li8Fe5O10
_chemical_formula_sum "Li8 Fe5 O10"
_cell_length_a 5.439789
_cell_length_b 6.7722361
_cell_length_c 8.02902207
_cell_angle_alpha 90.43750103999999
_cell_angle_beta 102.80415826
_cell_angle_gamma 113.38418846
_space_group_... | data_image0
_chemical_formula_structural Li8Fe5O10Fr
_chemical_formula_sum "Li8 Fe5 O10 Fr1"
_cell_length_a 5.439789
_cell_length_b 6.7722361
_cell_length_c 8.02902207
_cell_angle_alpha 90.43750103999999
_cell_angle_beta 102.80415826
_cell_angle_gamma 113.38418846
_space_... |
AddAtomAction | add3146a-7b0c-417a-a8a0-cc8b883c37eb | mp-1048964 | Add one Dy atom at the Cartesian coordinate [1.626 3.11 2.685] to the cif file. | data_image0
_chemical_formula_structural Ca6Cr12O24
_chemical_formula_sum "Ca6 Cr12 O24"
_cell_length_a 6.23193746
_cell_length_b 6.23193746
_cell_length_c 15.366012
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999427
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Ca6Cr12O24Dy
_chemical_formula_sum "Ca6 Cr12 O24 Dy1"
_cell_length_a 6.23193746
_cell_length_b 6.23193746
_cell_length_c 15.366012
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999427
_space_group_name_H-M_al... |
AddAtomAction | ccd4bb65-b719-4207-b99a-b20e4802e9fe | mp-2229308 | Add one Gd atom at the Cartesian coordinate [4.498 1.568 6.743] to the cif file. | data_image0
_chemical_formula_structural Rb4MgV2Ag2S8
_chemical_formula_sum "Rb4 Mg1 V2 Ag2 S8"
_cell_length_a 5.87448564
_cell_length_b 7.112471019999999
_cell_length_c 13.97644637
_cell_angle_alpha 82.97004932999998
_cell_angle_beta 72.83283597
_cell_angle_gamma 65.57111... | data_image0
_chemical_formula_structural Rb4MgV2Ag2S8Gd
_chemical_formula_sum "Rb4 Mg1 V2 Ag2 S8 Gd1"
_cell_length_a 5.87448564
_cell_length_b 7.112471019999999
_cell_length_c 13.97644637
_cell_angle_alpha 82.97004932999998
_cell_angle_beta 72.83283597
_cell_angle_gamma 65... |
AddAtomAction | 51afb0d3-aa56-44a8-8c5e-50514cd5bb39 | mp-1029421 | Add one I atom at the Cartesian coordinate [0.286 1.941 9.374] to the cif file. | data_image0
_chemical_formula_structural Te2MoW3Se6
_chemical_formula_sum "Te2 Mo1 W3 Se6"
_cell_length_a 3.37792624
_cell_length_b 3.37792624
_cell_length_c 38.521538
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000461000002
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Te2MoW3Se6I
_chemical_formula_sum "Te2 Mo1 W3 Se6 I1"
_cell_length_a 3.37792624
_cell_length_b 3.37792624
_cell_length_c 38.521538
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000461000002
_space_group_name_... |
AddAtomAction | 4775671f-b54b-4339-a42f-0675f57893a3 | mp-1192830 | Add one Ge atom at the Cartesian coordinate [0.248 6.329 3.454] to the cif file. | data_image0
_chemical_formula_structural Cu6Mo4O20
_chemical_formula_sum "Cu6 Mo4 O20"
_cell_length_a 13.928992
_cell_length_b 5.539769
_cell_length_c 7.51960498
_cell_angle_alpha 47.58404186
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural Cu6Mo4O20Ge
_chemical_formula_sum "Cu6 Mo4 O20 Ge1"
_cell_length_a 13.928992
_cell_length_b 5.539769
_cell_length_c 7.51960498
_cell_angle_alpha 47.58404186
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
AddAtomAction | d594cd15-7d77-4206-9a0a-26df3f1917aa | mp-558595 | Add one Zn atom at the Cartesian coordinate [ 1.529 4.1 10.439] to the cif file. | data_image0
_chemical_formula_structural Ba6Ru3Cl2O12
_chemical_formula_sum "Ba6 Ru3 Cl2 O12"
_cell_length_a 5.918419
_cell_length_b 5.91841994
_cell_length_c 15.047761
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000034000001
_space_group_name_H-M... | data_image0
_chemical_formula_structural Ba6Ru3Cl2O12Zn
_chemical_formula_sum "Ba6 Ru3 Cl2 O12 Zn1"
_cell_length_a 5.918419
_cell_length_b 5.91841994
_cell_length_c 15.047761
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000034000001
_space_group_na... |
AddAtomAction | 4cb2d764-3c81-483d-96ab-5925be6da413 | mp-675770 | Add one Pr atom at the Cartesian coordinate [12.486 6.346 4.416] to the cif file. | data_image0
_chemical_formula_structural Nd3U2O10
_chemical_formula_sum "Nd3 U2 O10"
_cell_length_a 6.5796035
_cell_length_b 6.5796035
_cell_length_c 8.478072710000001
_cell_angle_alpha 51.801004170000006
_cell_angle_beta 51.801004170000006
_cell_angle_gamma 49.08860705999... | data_image0
_chemical_formula_structural Nd3U2O10Pr
_chemical_formula_sum "Nd3 U2 O10 Pr1"
_cell_length_a 6.5796035
_cell_length_b 6.5796035
_cell_length_c 8.478072710000001
_cell_angle_alpha 51.801004170000006
_cell_angle_beta 51.801004170000006
_cell_angle_gamma 49.08860... |
AddAtomAction | 1a4ce8e8-92c3-4dd6-8e40-30e4443b885f | mp-1041539 | Add one Gd atom at the Cartesian coordinate [0.017 3.082 0.988] to the cif file. | data_image0
_chemical_formula_structural Ti4Zn2O8
_chemical_formula_sum "Ti4 Zn2 O8"
_cell_length_a 6.1031153
_cell_length_b 6.103115300000001
_cell_length_c 6.1031153
_cell_angle_alpha 121.13934974
_cell_angle_beta 119.7363984
_cell_angle_gamma 89.24758957
_space_group_n... | data_image0
_chemical_formula_structural Ti4Zn2O8Gd
_chemical_formula_sum "Ti4 Zn2 O8 Gd1"
_cell_length_a 6.1031153
_cell_length_b 6.103115300000001
_cell_length_c 6.1031153
_cell_angle_alpha 121.13934974
_cell_angle_beta 119.7363984
_cell_angle_gamma 89.24758957
_space_g... |
AddAtomAction | c6d23f51-41a5-4361-947a-6602bed3a915 | mp-770874 | Add one Li atom at the Cartesian coordinate [11.421 9.185 6.065] to the cif file. | data_image0
_chemical_formula_structural Na12Co4P2C8O32
_chemical_formula_sum "Na12 Co4 P2 C8 O32"
_cell_length_a 9.86786888
_cell_length_b 9.86786888
_cell_length_c 9.86786888
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999... | data_image0
_chemical_formula_structural Na12Co4P2C8O32Li
_chemical_formula_sum "Na12 Co4 P2 C8 O32 Li1"
_cell_length_a 9.86786888
_cell_length_b 9.86786888
_cell_length_c 9.86786888
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 5... |
AddAtomAction | 3e734071-7e4c-41be-992a-c7b2396f67ee | mp-1252807 | Add one Mo atom at the Cartesian coordinate [3.512 1.724 5.345] to the cif file. | data_image0
_chemical_formula_structural Sr4Al2Ga2Co4O14
_chemical_formula_sum "Sr4 Al2 Ga2 Co4 O14"
_cell_length_a 5.43339978
_cell_length_b 5.63672228
_cell_length_c 11.76159832
_cell_angle_alpha 103.73141681999999
_cell_angle_beta 103.37081140999999
_cell_angle_gamma 90... | data_image0
_chemical_formula_structural Sr4Al2Ga2Co4O14Mo
_chemical_formula_sum "Sr4 Al2 Ga2 Co4 O14 Mo1"
_cell_length_a 5.43339978
_cell_length_b 5.63672228
_cell_length_c 11.76159832
_cell_angle_alpha 103.73141681999999
_cell_angle_beta 103.37081140999999
_cell_angle_gamma... |
AddAtomAction | 1f617548-9988-4152-8cda-5482b5419311 | mp-752963 | Add one Fm atom at the Cartesian coordinate [3.472 5.018 4.261] to the cif file. | data_image0
_chemical_formula_structural Li4Ti3Ni3O12
_chemical_formula_sum "Li4 Ti3 Ni3 O12"
_cell_length_a 5.21179628
_cell_length_b 7.62971581
_cell_length_c 5.56986462
_cell_angle_alpha 68.58211896
_cell_angle_beta 89.97362202
_cell_angle_gamma 95.94842560000001
_spac... | data_image0
_chemical_formula_structural Li4Ti3Ni3O12Fm
_chemical_formula_sum "Li4 Ti3 Ni3 O12 Fm1"
_cell_length_a 5.21179628
_cell_length_b 7.62971581
_cell_length_c 5.56986462
_cell_angle_alpha 68.58211896
_cell_angle_beta 89.97362202
_cell_angle_gamma 95.94842560000001
... |
AddAtomAction | cfce5316-7f49-4382-a4cc-e420e5d3aca4 | mp-760650 | Add one Ni atom at the Cartesian coordinate [5.896 3.342 7.598] to the cif file. | data_image0
_chemical_formula_structural Li6Bi2P4O16
_chemical_formula_sum "Li6 Bi2 P4 O16"
_cell_length_a 5.20425907
_cell_length_b 5.20425907
_cell_length_c 15.14421391
_cell_angle_alpha 83.44138098
_cell_angle_beta 83.44138098
_cell_angle_gamma 54.37259545
_space_group... | data_image0
_chemical_formula_structural Li6Bi2P4O16Ni
_chemical_formula_sum "Li6 Bi2 P4 O16 Ni1"
_cell_length_a 5.20425907
_cell_length_b 5.20425907
_cell_length_c 15.14421391
_cell_angle_alpha 83.44138098
_cell_angle_beta 83.44138098
_cell_angle_gamma 54.37259545
_space... |
AddAtomAction | cd7e678b-c8ff-47e4-876a-142e51297b12 | mp-1520689 | Add one Mc atom at the Cartesian coordinate [0.389 0.782 0.627] to the cif file. | data_image0
_chemical_formula_structural BaSrTi4O12
_chemical_formula_sum "Ba1 Sr1 Ti4 O12"
_cell_length_a 5.5757866
_cell_length_b 5.5757866
_cell_length_c 7.87964887
_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 BaSrTi4O12Mc
_chemical_formula_sum "Ba1 Sr1 Ti4 O12 Mc1"
_cell_length_a 5.5757866
_cell_length_b 5.5757866
_cell_length_c 7.87964887
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... |
AddAtomAction | 1b4d9cc8-aea4-4a73-91be-a501ede20187 | mp-753442 | Add one Np atom at the Cartesian coordinate [0.456 4.768 4.849] to the cif file. | data_image0
_chemical_formula_structural Cr4Co4O16
_chemical_formula_sum "Cr4 Co4 O16"
_cell_length_a 4.951287
_cell_length_b 6.083637
_cell_length_c 10.46366
_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 Cr4Co4O16Np
_chemical_formula_sum "Cr4 Co4 O16 Np1"
_cell_length_a 4.951287
_cell_length_b 6.083637
_cell_length_c 10.46366
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... |
AddAtomAction | c0abd526-2d09-4147-bd2f-1004e9d8c478 | mp-1218036 | Add one Ag atom at the Cartesian coordinate [9.893 2.049 1.971] to the cif file. | data_image0
_chemical_formula_structural Ta8VC4S8
_chemical_formula_sum "Ta8 V1 C4 S8"
_cell_length_a 9.39611043
_cell_length_b 9.39611043
_cell_length_c 9.39611066
_cell_angle_alpha 41.33561769
_cell_angle_beta 41.33561769
_cell_angle_gamma 41.33562008000001
_space_group... | data_image0
_chemical_formula_structural Ta8VC4S8Ag
_chemical_formula_sum "Ta8 V1 C4 S8 Ag1"
_cell_length_a 9.39611043
_cell_length_b 9.39611043
_cell_length_c 9.39611066
_cell_angle_alpha 41.33561769
_cell_angle_beta 41.33561769
_cell_angle_gamma 41.33562008000001
_space... |
AddAtomAction | 28cc6535-dc6e-49a8-bc22-8fa25f57242e | mp-696656 | Add one Po atom at the Cartesian coordinate [2.3 3.42 0.133] to the cif file. | data_image0
_chemical_formula_structural B4H16O8F12
_chemical_formula_sum "B4 H16 O8 F12"
_cell_length_a 7.43387
_cell_length_b 5.643563
_cell_length_c 8.77295044
_cell_angle_alpha 89.9492871
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural B4H16O8F12Po
_chemical_formula_sum "B4 H16 O8 F12 Po1"
_cell_length_a 7.43387
_cell_length_b 5.643563
_cell_length_c 8.77295044
_cell_angle_alpha 89.9492871
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
AddAtomAction | 95b3b725-95fd-488f-9d0a-5d7ae83b2a06 | mp-1224390 | Add one Ca atom at the Cartesian coordinate [6.338 1.977 1.847] to the cif file. | data_image0
_chemical_formula_structural HfAu9
_chemical_formula_sum "Hf1 Au9"
_cell_length_a 5.0602821
_cell_length_b 5.0602821
_cell_length_c 9.40062687
_cell_angle_alpha 88.11660357
_cell_angle_beta 88.11660357
_cell_angle_gamma 47.58412455
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural HfAu9Ca
_chemical_formula_sum "Hf1 Au9 Ca1"
_cell_length_a 5.0602821
_cell_length_b 5.0602821
_cell_length_c 9.40062687
_cell_angle_alpha 88.11660357
_cell_angle_beta 88.11660357
_cell_angle_gamma 47.58412455
_space_group_name_H-M_... |
AddAtomAction | e6ad6101-cc51-42a2-8025-4702589bd0c3 | mp-1036209 | Add one Nh atom at the Cartesian coordinate [4.991 1.836 2.231] to the cif file. | data_image0
_chemical_formula_structural Mg14TiMnO16
_chemical_formula_sum "Mg14 Ti1 Mn1 O16"
_cell_length_a 8.608746
_cell_length_b 8.608746
_cell_length_c 4.274209
_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 Mg14TiMnO16Nh
_chemical_formula_sum "Mg14 Ti1 Mn1 O16 Nh1"
_cell_length_a 8.608746
_cell_length_b 8.608746
_cell_length_c 4.274209
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
AddAtomAction | 66c2f758-982e-4120-b88a-e6c8ef6748c9 | mp-1023294 | Add one Cs atom at the Cartesian coordinate [0.476 0.915 9.031] to the cif file. | data_image0
_chemical_formula_structural Mg12Al2Mo2
_chemical_formula_sum "Mg12 Al2 Mo2"
_cell_length_a 4.818345
_cell_length_b 6.156911
_cell_length_c 10.642447
_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 Mg12Al2Mo2Cs
_chemical_formula_sum "Mg12 Al2 Mo2 Cs1"
_cell_length_a 4.818345
_cell_length_b 6.156911
_cell_length_c 10.642447
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
AddAtomAction | 7d43b6e3-12a2-46be-9383-0e8c14f377a3 | mp-1411095 | Add one Na atom at the Cartesian coordinate [0.527 4.559 8.074] to the cif file. | data_image0
_chemical_formula_structural Mg2V4O10
_chemical_formula_sum "Mg2 V4 O10"
_cell_length_a 3.430803
_cell_length_b 4.901301
_cell_length_c 11.601949
_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 Mg2V4O10Na
_chemical_formula_sum "Mg2 V4 O10 Na1"
_cell_length_a 3.430803
_cell_length_b 4.901301
_cell_length_c 11.601949
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spac... |
AddAtomAction | f12f349f-793d-435a-8b7e-3098dbe6726d | mp-1179989 | Add one F atom at the Cartesian coordinate [3.771 4.253 8.9 ] to the cif file. | data_image0
_chemical_formula_structural Pd2C8S8I4N16
_chemical_formula_sum "Pd2 C8 S8 I4 N16"
_cell_length_a 8.47762463
_cell_length_b 8.47762463
_cell_length_c 11.65951481
_cell_angle_alpha 89.15109476999999
_cell_angle_beta 89.15109476999999
_cell_angle_gamma 76.8727395... | data_image0
_chemical_formula_structural Pd2C8S8I4N16F
_chemical_formula_sum "Pd2 C8 S8 I4 N16 F1"
_cell_length_a 8.47762463
_cell_length_b 8.47762463
_cell_length_c 11.65951481
_cell_angle_alpha 89.15109476999999
_cell_angle_beta 89.15109476999999
_cell_angle_gamma 76.872... |
AddAtomAction | 54eb71d7-daaf-4aec-8bda-6b0cb567550a | mp-1106066 | Add one Li atom at the Cartesian coordinate [ 2.713 -1.018 4.321] to the cif file. | data_image0
_chemical_formula_structural LaSb12Os4
_chemical_formula_sum "La1 Sb12 Os4"
_cell_length_a 8.11137695
_cell_length_b 8.11136872
_cell_length_c 8.11137401
_cell_angle_alpha 109.47122651999997
_cell_angle_beta 109.47125878999998
_cell_angle_gamma 109.47122363
_s... | data_image0
_chemical_formula_structural LaSb12Os4Li
_chemical_formula_sum "La1 Sb12 Os4 Li1"
_cell_length_a 8.11137695
_cell_length_b 8.11136872
_cell_length_c 8.11137401
_cell_angle_alpha 109.47122651999997
_cell_angle_beta 109.47125878999998
_cell_angle_gamma 109.471223... |
AddAtomAction | 3dadc789-25cd-4b9b-a62d-ad2ac20ec872 | mp-975336 | Add one Si atom at the Cartesian coordinate [0.863 4.342 3.05 ] to the cif file. | data_image0
_chemical_formula_structural K4C4S4N4
_chemical_formula_sum "K4 C4 S4 N4"
_cell_length_a 6.479805
_cell_length_b 6.515581
_cell_length_c 11.139016
_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 K4C4S4N4Si
_chemical_formula_sum "K4 C4 S4 N4 Si1"
_cell_length_a 6.479805
_cell_length_b 6.515581
_cell_length_c 11.139016
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... |
AddAtomAction | 03da6d26-e179-4f59-b6cc-5486cbacc95e | mp-624221 | Add one Ru atom at the Cartesian coordinate [3.575 5.427 3.041] to the cif file. | data_image0
_chemical_formula_structural Ge6Rh10
_chemical_formula_sum "Ge6 Rh10"
_cell_length_a 3.94900962
_cell_length_b 5.48650678
_cell_length_c 10.49249257
_cell_angle_alpha 90.00030664
_cell_angle_beta 90.0
_cell_angle_gamma 89.99993892999998
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural Ge6Rh10Ru
_chemical_formula_sum "Ge6 Rh10 Ru1"
_cell_length_a 3.94900962
_cell_length_b 5.48650678
_cell_length_c 10.49249257
_cell_angle_alpha 90.00030664
_cell_angle_beta 90.0
_cell_angle_gamma 89.99993892999998
_space_group_name... |
AddAtomAction | 23780f2d-77b9-4a2b-89ae-a3a2ebdcb5d6 | mp-662499 | Add one At atom at the Cartesian coordinate [3.036 1.508 0.872] to the cif file. | data_image0
_chemical_formula_structural Rb6Mg6Cl18
_chemical_formula_sum "Rb6 Mg6 Cl18"
_cell_length_a 7.09519963
_cell_length_b 7.09519975
_cell_length_c 17.608760289999996
_cell_angle_alpha 89.99999958
_cell_angle_beta 89.99999952
_cell_angle_gamma 119.99928184000001
_... | data_image0
_chemical_formula_structural Rb6Mg6Cl18At
_chemical_formula_sum "Rb6 Mg6 Cl18 At1"
_cell_length_a 7.09519963
_cell_length_b 7.09519975
_cell_length_c 17.608760289999996
_cell_angle_alpha 89.99999958
_cell_angle_beta 89.99999952
_cell_angle_gamma 119.99928184000... |
AddAtomAction | 6fa8c834-911d-474a-9e98-354ba07c88c4 | mp-757606 | Add one Dy atom at the Cartesian coordinate [4.086 2.675 6.804] to the cif file. | data_image0
_chemical_formula_structural Li4Ni4P4O16
_chemical_formula_sum "Li4 Ni4 P4 O16"
_cell_length_a 5.49464502
_cell_length_b 6.239611080000001
_cell_length_c 9.28187495
_cell_angle_alpha 105.10267002000002
_cell_angle_beta 80.98396444
_cell_angle_gamma 103.96264312... | data_image0
_chemical_formula_structural Li4Ni4P4O16Dy
_chemical_formula_sum "Li4 Ni4 P4 O16 Dy1"
_cell_length_a 5.49464502
_cell_length_b 6.239611080000001
_cell_length_c 9.28187495
_cell_angle_alpha 105.10267002000002
_cell_angle_beta 80.98396444
_cell_angle_gamma 103.96... |
AddAtomAction | db34ef18-0c5d-4ea0-bc55-9db5d5583d49 | mp-1102836 | Add one Ds atom at the Cartesian coordinate [3.45 0.869 2.625] to the cif file. | data_image0
_chemical_formula_structural Bi4Ir4S4
_chemical_formula_sum "Bi4 Ir4 S4"
_cell_length_a 6.219056
_cell_length_b 6.219056
_cell_length_c 6.219056
_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 Bi4Ir4S4Ds
_chemical_formula_sum "Bi4 Ir4 S4 Ds1"
_cell_length_a 6.219056
_cell_length_b 6.219056
_cell_length_c 6.219056
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space... |
AddAtomAction | 8589b25e-436e-4158-9865-04b2c42b81bd | mp-1188838 | Add one Cl atom at the Cartesian coordinate [4.494 4.422 0.68 ] to the cif file. | data_image0
_chemical_formula_structural Cs2P2H4O8
_chemical_formula_sum "Cs2 P2 H4 O8"
_cell_length_a 4.94896353
_cell_length_b 6.589359
_cell_length_c 8.03895871
_cell_angle_alpha 90.0
_cell_angle_beta 107.81996615
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Cs2P2H4O8Cl
_chemical_formula_sum "Cs2 P2 H4 O8 Cl1"
_cell_length_a 4.94896353
_cell_length_b 6.589359
_cell_length_c 8.03895871
_cell_angle_alpha 90.0
_cell_angle_beta 107.81996615
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
AddAtomAction | 2e6ff182-cc51-42ff-a77a-78986fff175b | mp-28092 | Add one Np atom at the Cartesian coordinate [12.998 3.998 6.302] to the cif file. | 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 B40H52O2Np
_chemical_formula_sum "B40 H52 O2 Np1"
_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_grou... |
AddAtomAction | e2abbe38-cfc9-4e0e-af82-23f45a85cf87 | mp-2229854 | Add one Gd atom at the Cartesian coordinate [3.961 0.233 4.609] to the cif file. | data_image0
_chemical_formula_structural MgPb4W2O10
_chemical_formula_sum "Mg1 Pb4 W2 O10"
_cell_length_a 5.87975561
_cell_length_b 7.77356628
_cell_length_c 10.18141938
_cell_angle_alpha 119.91521942
_cell_angle_beta 106.78309567999999
_cell_angle_gamma 89.99999797
_spac... | data_image0
_chemical_formula_structural MgPb4W2O10Gd
_chemical_formula_sum "Mg1 Pb4 W2 O10 Gd1"
_cell_length_a 5.87975561
_cell_length_b 7.77356628
_cell_length_c 10.18141938
_cell_angle_alpha 119.91521942
_cell_angle_beta 106.78309567999999
_cell_angle_gamma 89.99999797
... |
AddAtomAction | e3212ea6-4078-42ea-9548-decaa89629da | mp-1200769 | Add one Pb atom at the Cartesian coordinate [-1.87 -1.121 4.437] to the cif file. | data_image0
_chemical_formula_structural Yb3Ga24Cu12
_chemical_formula_sum "Yb3 Ga24 Cu12"
_cell_length_a 10.18707419
_cell_length_b 10.18707419
_cell_length_c 10.18707419
_cell_angle_alpha 129.68595507
_cell_angle_beta 129.68595507
_cell_angle_gamma 73.90931848
_space_gr... | data_image0
_chemical_formula_structural Yb3Ga24Cu12Pb
_chemical_formula_sum "Yb3 Ga24 Cu12 Pb1"
_cell_length_a 10.18707419
_cell_length_b 10.18707419
_cell_length_c 10.18707419
_cell_angle_alpha 129.68595507
_cell_angle_beta 129.68595507
_cell_angle_gamma 73.90931848
_sp... |
AddAtomAction | f3fa0b7c-6913-4d25-b634-80ca7e44d9a5 | mp-1245678 | Add one P atom at the Cartesian coordinate [5.108 3.505 3.304] to the cif file. | data_image0
_chemical_formula_structural Y16Al16N32
_chemical_formula_sum "Y16 Al16 N32"
_cell_length_a 5.117963
_cell_length_b 10.130638
_cell_length_c 16.120956
_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 Y16Al16N32P
_chemical_formula_sum "Y16 Al16 N32 P1"
_cell_length_a 5.117963
_cell_length_b 10.130638
_cell_length_c 16.120956
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_s... |
AddAtomAction | cc26faf2-7748-4b48-abe0-7db89397756f | mp-754770 | Add one Th atom at the Cartesian coordinate [0.282 0.819 6.545] to the cif file. | data_image0
_chemical_formula_structural Li4Mn4F12
_chemical_formula_sum "Li4 Mn4 F12"
_cell_length_a 10.224994
_cell_length_b 3.803119
_cell_length_c 6.94525512
_cell_angle_alpha 87.3230362
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... | data_image0
_chemical_formula_structural Li4Mn4F12Th
_chemical_formula_sum "Li4 Mn4 F12 Th1"
_cell_length_a 10.224994
_cell_length_b 3.803119
_cell_length_c 6.94525512
_cell_angle_alpha 87.3230362
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... |
AddAtomAction | da9dfe55-6191-4178-8173-c0521a9ec521 | mp-1225843 | Add one Ge atom at the Cartesian coordinate [3.217 5.355 1.771] to the cif file. | data_image0
_chemical_formula_structural K6Te3H32O28
_chemical_formula_sum "K6 Te3 H32 O28"
_cell_length_a 8.16066967
_cell_length_b 9.343131350000002
_cell_length_c 10.28043837
_cell_angle_alpha 101.91143083
_cell_angle_beta 106.78901273
_cell_angle_gamma 95.86402284
_sp... | data_image0
_chemical_formula_structural K6Te3H32O28Ge
_chemical_formula_sum "K6 Te3 H32 O28 Ge1"
_cell_length_a 8.16066967
_cell_length_b 9.343131350000002
_cell_length_c 10.28043837
_cell_angle_alpha 101.91143083
_cell_angle_beta 106.78901273
_cell_angle_gamma 95.8640228... |
AddAtomAction | 9b8bd678-3024-4ad2-a9b6-432c9a4c080a | mp-774653 | Add one N atom at the Cartesian coordinate [-0.094 0.571 3.297] to the cif file. | data_image0
_chemical_formula_structural Li4Mn3Cu2Sn3O16
_chemical_formula_sum "Li4 Mn3 Cu2 Sn3 O16"
_cell_length_a 6.08433247
_cell_length_b 6.10424729
_cell_length_c 9.81937428
_cell_angle_alpha 89.99063356
_cell_angle_beta 87.51752301
_cell_angle_gamma 120.1096729200000... | data_image0
_chemical_formula_structural Li4Mn3Cu2Sn3O16N
_chemical_formula_sum "Li4 Mn3 Cu2 Sn3 O16 N1"
_cell_length_a 6.08433247
_cell_length_b 6.10424729
_cell_length_c 9.81937428
_cell_angle_alpha 89.99063356
_cell_angle_beta 87.51752301
_cell_angle_gamma 120.109672920... |
AddAtomAction | f31124b0-a71b-4041-83ab-16cfdc5de65b | mp-16623 | Add one Cs atom at the Cartesian coordinate [7.484 6.71 0.684] to the cif file. | data_image0
_chemical_formula_structural Dy2Al14Au6
_chemical_formula_sum "Dy2 Al14 Au6"
_cell_length_a 8.38060428
_cell_length_b 8.38060428
_cell_length_c 8.38060463
_cell_angle_alpha 57.34452265999998
_cell_angle_beta 57.344522659999996
_cell_angle_gamma 57.34453745
_sp... | data_image0
_chemical_formula_structural Dy2Al14Au6Cs
_chemical_formula_sum "Dy2 Al14 Au6 Cs1"
_cell_length_a 8.38060428
_cell_length_b 8.38060428
_cell_length_c 8.38060463
_cell_angle_alpha 57.34452265999998
_cell_angle_beta 57.344522659999996
_cell_angle_gamma 57.3445374... |
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