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 | 1bd72856-0755-4011-8a5e-fb810a0939a3 | mp-1217186 | Insert a Pt atom in the line between atoms at indices 16 and 17, and the inserted atom must be 5.37 angstrom from atom at 16 in the cif file. | data_image0
_chemical_formula_structural Ti3Sn5S12
_chemical_formula_sum "Ti3 Sn5 S12"
_cell_length_a 3.61936051
_cell_length_b 9.1720841
_cell_length_c 13.81562008
_cell_angle_alpha 89.56937859
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Ti3Sn5S12Pt
_chemical_formula_sum "Ti3 Sn5 S12 Pt1"
_cell_length_a 3.61936051
_cell_length_b 9.1720841
_cell_length_c 13.81562008
_cell_angle_alpha 89.56937859
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | 6d6e9644-c980-4daf-b1d3-199e6b9ed2e5 | mp-561216 | Insert a Ac atom in the line between atoms at indices 0 and 19, and the inserted atom must be 1.14 angstrom from atom at 0 in the cif file. | data_image0
_chemical_formula_structural Cu8Ge8O24
_chemical_formula_sum "Cu8 Ge8 O24"
_cell_length_a 7.73822104
_cell_length_b 7.73822104
_cell_length_c 8.71447
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 100.64867754
_space_group_name_H-M_alt "P 1"... | data_image0
_chemical_formula_structural Cu8Ge8O24Ac
_chemical_formula_sum "Cu8 Ge8 O24 Ac1"
_cell_length_a 7.73822104
_cell_length_b 7.73822104
_cell_length_c 8.71447
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 100.64867754
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | 8bd35361-5377-42d1-84f8-d89831c66c00 | mp-1029153 | Insert a Dy atom in the line between atoms at indices 5 and 11, and the inserted atom must be 0.75 angstrom from atom at 5 in the cif file. | data_image0
_chemical_formula_structural Te2Mo2W2Se4S2
_chemical_formula_sum "Te2 Mo2 W2 Se4 S2"
_cell_length_a 3.34167077
_cell_length_b 3.34167077
_cell_length_c 38.037908
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00001524
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Te2Mo2W2Se4S2Dy
_chemical_formula_sum "Te2 Mo2 W2 Se4 S2 Dy1"
_cell_length_a 3.34167077
_cell_length_b 3.34167077
_cell_length_c 38.037908
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00001524
_space_group_nam... |
InsertBetweenAtomsAction | c254628d-7283-49da-a5d0-52d99b826287 | mp-1245133 | Insert a Ni atom in the line between atoms at indices 79 and 6, and the inserted atom must be 4.23 angstrom from atom at 79 in the cif file. | data_image0
_chemical_formula_structural Sn40O40
_chemical_formula_sum "Sn40 O40"
_cell_length_a 11.74637383
_cell_length_b 12.838853849999998
_cell_length_c 11.717428899999998
_cell_angle_alpha 89.04503959
_cell_angle_beta 92.05166865
_cell_angle_gamma 88.32496439999998
... | data_image0
_chemical_formula_structural Sn40O40Ni
_chemical_formula_sum "Sn40 O40 Ni1"
_cell_length_a 11.74637383
_cell_length_b 12.838853849999998
_cell_length_c 11.717428899999998
_cell_angle_alpha 89.04503959
_cell_angle_beta 92.05166865
_cell_angle_gamma 88.3249643999... |
InsertBetweenAtomsAction | 7d20d2d6-f202-4d3f-9e6d-857fd111e0a1 | mp-1522961 | Insert a Pm atom in the line between atoms at indices 2 and 4, and the inserted atom must be 2.45 angstrom from atom at 2 in the cif file. | data_image0
_chemical_formula_structural NaSrNbSbO6
_chemical_formula_sum "Na1 Sr1 Nb1 Sb1 O6"
_cell_length_a 5.82188153
_cell_length_b 5.82188153
_cell_length_c 5.82188153
_cell_angle_alpha 60.00000000000001
_cell_angle_beta 60.00000000000001
_cell_angle_gamma 60.00000000... | data_image0
_chemical_formula_structural NaSrNbSbO6Pm
_chemical_formula_sum "Na1 Sr1 Nb1 Sb1 O6 Pm1"
_cell_length_a 5.82188153
_cell_length_b 5.82188153
_cell_length_c 5.82188153
_cell_angle_alpha 60.00000000000001
_cell_angle_beta 60.00000000000001
_cell_angle_gamma 60.00... |
InsertBetweenAtomsAction | 7a287880-df61-45a6-9bd8-bb1a7dd7d4cd | mp-1181899 | Insert a Rb atom in the line between atoms at indices 3 and 4, and the inserted atom must be 4.81 angstrom from atom at 3 in the cif file. | data_image0
_chemical_formula_structural Cd2Br4O8
_chemical_formula_sum "Cd2 Br4 O8"
_cell_length_a 9.518223
_cell_length_b 3.703541
_cell_length_c 7.59514437
_cell_angle_alpha 63.57413614
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_sp... | data_image0
_chemical_formula_structural Cd2Br4O8Rb
_chemical_formula_sum "Cd2 Br4 O8 Rb1"
_cell_length_a 9.518223
_cell_length_b 3.703541
_cell_length_c 7.59514437
_cell_angle_alpha 63.57413614
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
InsertBetweenAtomsAction | 0ff75fef-75e3-40fa-96dd-c26df6933f50 | mp-1214420 | Insert a Rg atom in the line between atoms at indices 10 and 4, and the inserted atom must be 1.59 angstrom from atom at 10 in the cif file. | data_image0
_chemical_formula_structural Ba2Hf2F12
_chemical_formula_sum "Ba2 Hf2 F12"
_cell_length_a 6.86460262
_cell_length_b 6.864602619999999
_cell_length_c 5.46341565
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 113.32893431999999
_space_group_name_... | data_image0
_chemical_formula_structural Ba2Hf2F12Rg
_chemical_formula_sum "Ba2 Hf2 F12 Rg1"
_cell_length_a 6.86460262
_cell_length_b 6.864602619999999
_cell_length_c 5.46341565
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 113.32893431999999
_space_group... |
InsertBetweenAtomsAction | 67dac6cd-5bed-43ac-9910-5922fabf61bb | mp-30650 | Insert a Sn atom in the line between atoms at indices 1 and 8, and the inserted atom must be 2.29 angstrom from atom at 1 in the cif file. | data_image0
_chemical_formula_structural Mg12Ga6
_chemical_formula_sum "Mg12 Ga6"
_cell_length_a 7.64864885
_cell_length_b 7.64864804
_cell_length_c 6.98307274
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00003825999998
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Mg12Ga6Sn
_chemical_formula_sum "Mg12 Ga6 Sn1"
_cell_length_a 7.64864885
_cell_length_b 7.64864804
_cell_length_c 6.98307274
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00003825999998
_space_group_name_H-M_al... |
InsertBetweenAtomsAction | e7f1dc01-fa38-411e-a3ec-b55687d0b415 | mp-1173764 | Insert a Ag atom in the line between atoms at indices 36 and 3, and the inserted atom must be 1.52 angstrom from atom at 36 in the cif file. | data_image0
_chemical_formula_structural Na5Ce3Ti6Nb2O24
_chemical_formula_sum "Na5 Ce3 Ti6 Nb2 O24"
_cell_length_a 5.53853843
_cell_length_b 5.51219945
_cell_length_c 15.52114946
_cell_angle_alpha 89.94664857
_cell_angle_beta 90.00032967
_cell_angle_gamma 90.0447047100000... | data_image0
_chemical_formula_structural Na5Ce3Ti6Nb2O24Ag
_chemical_formula_sum "Na5 Ce3 Ti6 Nb2 O24 Ag1"
_cell_length_a 5.53853843
_cell_length_b 5.51219945
_cell_length_c 15.52114946
_cell_angle_alpha 89.94664857
_cell_angle_beta 90.00032967
_cell_angle_gamma 90.0447047... |
InsertBetweenAtomsAction | fc9a5be7-f5c6-43de-985a-04d833739851 | mp-773104 | Insert a Bi atom in the line between atoms at indices 10 and 57, and the inserted atom must be 0.72 angstrom from atom at 10 in the cif file. | data_image0
_chemical_formula_structural Sr24Fe16O55
_chemical_formula_sum "Sr24 Fe16 O55"
_cell_length_a 11.92926253
_cell_length_b 11.92926253
_cell_length_c 11.06873282
_cell_angle_alpha 76.58739133
_cell_angle_beta 76.58739133
_cell_angle_gamma 117.50833022000002
_spa... | data_image0
_chemical_formula_structural Sr24Fe16O55Bi
_chemical_formula_sum "Sr24 Fe16 O55 Bi1"
_cell_length_a 11.92926253
_cell_length_b 11.92926253
_cell_length_c 11.06873282
_cell_angle_alpha 76.58739133
_cell_angle_beta 76.58739133
_cell_angle_gamma 117.50833022000002... |
InsertBetweenAtomsAction | eeaaebc0-b64e-45bf-a5a3-f11e74dbaf45 | mp-1193261 | Insert a Rg atom in the line between atoms at indices 7 and 11, and the inserted atom must be 0.23 angstrom from atom at 7 in the cif file. | data_image0
_chemical_formula_structural Cs4H4C4N8O8
_chemical_formula_sum "Cs4 H4 C4 N8 O8"
_cell_length_a 4.875682
_cell_length_b 13.717342
_cell_length_c 7.961561659999999
_cell_angle_alpha 90.0
_cell_angle_beta 97.09784046
_cell_angle_gamma 90.0
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Cs4H4C4N8O8Rg
_chemical_formula_sum "Cs4 H4 C4 N8 O8 Rg1"
_cell_length_a 4.875682
_cell_length_b 13.717342
_cell_length_c 7.961561659999999
_cell_angle_alpha 90.0
_cell_angle_beta 97.09784046
_cell_angle_gamma 90.0
_space_group_nam... |
InsertBetweenAtomsAction | ba1ffd10-4709-4817-bcd0-4a3b55e76982 | mp-761166 | Insert a Pt atom in the line between atoms at indices 2 and 8, and the inserted atom must be 1.93 angstrom from atom at 2 in 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 Li2Fe2F6Pt
_chemical_formula_sum "Li2 Fe2 F6 Pt1"
_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... |
InsertBetweenAtomsAction | d03b9e16-a138-40f1-b951-69efc4e53299 | mp-690575 | Insert a Th atom in the line between atoms at indices 14 and 16, and the inserted atom must be 2.95 angstrom from atom at 14 in the cif file. | data_image0
_chemical_formula_structural Nb4Ni2O12
_chemical_formula_sum "Nb4 Ni2 O12"
_cell_length_a 5.64998711
_cell_length_b 5.64998711
_cell_length_c 6.7760536899999995
_cell_angle_alpha 88.35719593
_cell_angle_beta 88.35719593
_cell_angle_gamma 71.38183627
_space_gro... | data_image0
_chemical_formula_structural Nb4Ni2O12Th
_chemical_formula_sum "Nb4 Ni2 O12 Th1"
_cell_length_a 5.64998711
_cell_length_b 5.64998711
_cell_length_c 6.7760536899999995
_cell_angle_alpha 88.35719593
_cell_angle_beta 88.35719593
_cell_angle_gamma 71.38183627
_spa... |
InsertBetweenAtomsAction | d97c1178-da84-4d84-8320-ef98a8984fb0 | mp-1272968 | Insert a Se atom in the line between atoms at indices 4 and 2, and the inserted atom must be 1.45 angstrom from atom at 4 in the cif file. | data_image0
_chemical_formula_structural Na2V4O8
_chemical_formula_sum "Na2 V4 O8"
_cell_length_a 5.19210069
_cell_length_b 5.94416701
_cell_length_c 6.629173150000001
_cell_angle_alpha 116.63727697
_cell_angle_beta 103.43049897
_cell_angle_gamma 89.99560242
_space_group_... | data_image0
_chemical_formula_structural Na2V4O8Se
_chemical_formula_sum "Na2 V4 O8 Se1"
_cell_length_a 5.19210069
_cell_length_b 5.94416701
_cell_length_c 6.629173150000001
_cell_angle_alpha 116.63727697
_cell_angle_beta 103.43049897
_cell_angle_gamma 89.99560242
_space_... |
InsertBetweenAtomsAction | 2b9df572-a31d-4d3b-b2cd-2e6ebca1e6e9 | mp-1199536 | Insert a Cr atom in the line between atoms at indices 5 and 13, and the inserted atom must be 0.56 angstrom from atom at 5 in the cif file. | data_image0
_chemical_formula_structural Sn4Mo4H24C8O16
_chemical_formula_sum "Sn4 Mo4 H24 C8 O16"
_cell_length_a 7.380515
_cell_length_b 7.443991
_cell_length_c 13.73188
_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 Sn4Mo4H24C8O16Cr
_chemical_formula_sum "Sn4 Mo4 H24 C8 O16 Cr1"
_cell_length_a 7.380515
_cell_length_b 7.443991
_cell_length_c 13.73188
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | 4f81cbae-09ec-45fd-b6c6-3d8c305d6bfc | mp-558119 | Insert a Ho atom in the line between atoms at indices 8 and 44, and the inserted atom must be 1.79 angstrom from atom at 8 in the cif file. | data_image0
_chemical_formula_structural Lu16Mo16O44
_chemical_formula_sum "Lu16 Mo16 O44"
_cell_length_a 5.668748
_cell_length_b 10.6688185
_cell_length_c 15.86257151
_cell_angle_alpha 90.49133601
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Lu16Mo16O44Ho
_chemical_formula_sum "Lu16 Mo16 O44 Ho1"
_cell_length_a 5.668748
_cell_length_b 10.6688185
_cell_length_c 15.86257151
_cell_angle_alpha 90.49133601
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_a... |
InsertBetweenAtomsAction | 8579ea09-2657-4e87-84a9-1b1bd5e74199 | mp-758218 | Insert a Yb atom in the line between atoms at indices 8 and 33, and the inserted atom must be 1.29 angstrom from atom at 8 in the cif file. | data_image0
_chemical_formula_structural Li4Ti4P8O28
_chemical_formula_sum "Li4 Ti4 P8 O28"
_cell_length_a 5.179646
_cell_length_b 8.678552
_cell_length_c 13.48411447
_cell_angle_alpha 62.84568576
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Li4Ti4P8O28Yb
_chemical_formula_sum "Li4 Ti4 P8 O28 Yb1"
_cell_length_a 5.179646
_cell_length_b 8.678552
_cell_length_c 13.48411447
_cell_angle_alpha 62.84568576
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_al... |
InsertBetweenAtomsAction | 653d2ffd-8031-4fa9-a531-49ae323633e4 | mp-557992 | Insert a Cm atom in the line between atoms at indices 21 and 20, and the inserted atom must be 2.58 angstrom from atom at 21 in the cif file. | data_image0
_chemical_formula_structural In4Te4Cl4O12
_chemical_formula_sum "In4 Te4 Cl4 O12"
_cell_length_a 7.031733
_cell_length_b 7.196003
_cell_length_c 8.64328525
_cell_angle_alpha 77.23700394
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural In4Te4Cl4O12Cm
_chemical_formula_sum "In4 Te4 Cl4 O12 Cm1"
_cell_length_a 7.031733
_cell_length_b 7.196003
_cell_length_c 8.64328525
_cell_angle_alpha 77.23700394
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_a... |
InsertBetweenAtomsAction | 5bc6c7eb-91bf-41d4-a824-5e42ca36a4d2 | mp-20817 | Insert a Fr atom in the line between atoms at indices 10 and 5, and the inserted atom must be 2.05 angstrom from atom at 10 in the cif file. | data_image0
_chemical_formula_structural Ge4Pt4Se4
_chemical_formula_sum "Ge4 Pt4 Se4"
_cell_length_a 6.02894882
_cell_length_b 6.05269499
_cell_length_c 6.11051989
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... | data_image0
_chemical_formula_structural Ge4Pt4Se4Fr
_chemical_formula_sum "Ge4 Pt4 Se4 Fr1"
_cell_length_a 6.02894882
_cell_length_b 6.05269499
_cell_length_c 6.11051989
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
InsertBetweenAtomsAction | 53650f0d-1a3b-45e0-981a-5f59ca46c510 | mp-1027923 | Insert a Cn atom in the line between atoms at indices 14 and 2, and the inserted atom must be 1.11 angstrom from atom at 14 in the cif file. | data_image0
_chemical_formula_structural SrMg14Zr
_chemical_formula_sum "Sr1 Mg14 Zr1"
_cell_length_a 6.57608356
_cell_length_b 6.61396989
_cell_length_c 10.42359233
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.19076941
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural SrMg14ZrCn
_chemical_formula_sum "Sr1 Mg14 Zr1 Cn1"
_cell_length_a 6.57608356
_cell_length_b 6.61396989
_cell_length_c 10.42359233
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.19076941
_space_group_name_H-M_al... |
InsertBetweenAtomsAction | db6db3a3-043a-4b8a-bd2b-725deb68fff3 | mp-669334 | Insert a Pu atom in the line between atoms at indices 18 and 3, and the inserted atom must be 15.17 angstrom from atom at 18 in the cif file. | data_image0
_chemical_formula_structural Cd15I30
_chemical_formula_sum "Cd15 I30"
_cell_length_a 4.34447773
_cell_length_b 4.34447773
_cell_length_c 110.424958
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999586
_space_group_name_H-M_alt "P 1"
_... | data_image0
_chemical_formula_structural Cd15I30Pu
_chemical_formula_sum "Cd15 I30 Pu1"
_cell_length_a 4.34447773
_cell_length_b 4.34447773
_cell_length_c 110.424958
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999586
_space_group_name_H-M_alt "... |
InsertBetweenAtomsAction | 5d3c6c2f-598b-4ec2-8896-baa5ff5bc90d | mp-560545 | Insert a Zr atom in the line between atoms at indices 21 and 14, and the inserted atom must be 2.78 angstrom from atom at 21 in the cif file. | data_image0
_chemical_formula_structural Na4Ca2As8O24
_chemical_formula_sum "Na4 Ca2 As8 O24"
_cell_length_a 10.131248
_cell_length_b 10.131248
_cell_length_c 5.239611
_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 Na4Ca2As8O24Zr
_chemical_formula_sum "Na4 Ca2 As8 O24 Zr1"
_cell_length_a 10.131248
_cell_length_b 10.131248
_cell_length_c 5.239611
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... |
InsertBetweenAtomsAction | fa03cd8e-4b2e-42af-8dce-25effcaec278 | mp-20083 | Insert a Yb atom in the line between atoms at indices 4 and 8, and the inserted atom must be 0.92 angstrom from atom at 4 in the cif file. | data_image0
_chemical_formula_structural Sc4Cu4Si4
_chemical_formula_sum "Sc4 Cu4 Si4"
_cell_length_a 3.94833885
_cell_length_b 6.53023046
_cell_length_c 7.16051603
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... | data_image0
_chemical_formula_structural Sc4Cu4Si4Yb
_chemical_formula_sum "Sc4 Cu4 Si4 Yb1"
_cell_length_a 3.94833885
_cell_length_b 6.53023046
_cell_length_c 7.16051603
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
InsertBetweenAtomsAction | 296b0f4f-63bd-45b6-b72c-66f5725829a2 | mp-20250 | Insert a N atom in the line between atoms at indices 6 and 12, and the inserted atom must be 2.97 angstrom from atom at 6 in the cif file. | data_image0
_chemical_formula_structural Pd8S8
_chemical_formula_sum "Pd8 S8"
_cell_length_a 6.47221786
_cell_length_b 6.47221786
_cell_length_c 6.6355318
_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 Pd8S8N
_chemical_formula_sum "Pd8 S8 N1"
_cell_length_a 6.47221786
_cell_length_b 6.47221786
_cell_length_c 6.6355318
_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 | eee01305-a4be-4ec2-b877-f3ffc56199ac | mp-13211 | Insert a Lu atom in the line between atoms at indices 15 and 8, and the inserted atom must be 1.33 angstrom from atom at 15 in the cif file. | data_image0
_chemical_formula_structural Ag4Te4O14
_chemical_formula_sum "Ag4 Te4 O14"
_cell_length_a 7.32596274
_cell_length_b 7.32592416
_cell_length_c 7.32592584
_cell_angle_alpha 120.35561923
_cell_angle_beta 117.89328692000001
_cell_angle_gamma 91.53610832000001
_spa... | data_image0
_chemical_formula_structural Ag4Te4O14Lu
_chemical_formula_sum "Ag4 Te4 O14 Lu1"
_cell_length_a 7.32596274
_cell_length_b 7.32592416
_cell_length_c 7.32592584
_cell_angle_alpha 120.35561923
_cell_angle_beta 117.89328692000001
_cell_angle_gamma 91.53610832000001... |
InsertBetweenAtomsAction | 5d0eab2f-0a06-4fc2-b22b-f22326d5cc33 | mp-10244 | Insert a B atom in the line between atoms at indices 8 and 4, and the inserted atom must be 2.81 angstrom from atom at 8 in the cif file. | data_image0
_chemical_formula_structural Zr3Cu4Si4
_chemical_formula_sum "Zr3 Cu4 Si4"
_cell_length_a 3.92810485
_cell_length_b 6.36160577
_cell_length_c 7.52624214
_cell_angle_alpha 115.00265899
_cell_angle_beta 105.09630502
_cell_angle_gamma 90.00160276
_space_group_nam... | data_image0
_chemical_formula_structural Zr3Cu4Si4B
_chemical_formula_sum "Zr3 Cu4 Si4 B1"
_cell_length_a 3.92810485
_cell_length_b 6.36160577
_cell_length_c 7.52624214
_cell_angle_alpha 115.00265899
_cell_angle_beta 105.09630502
_cell_angle_gamma 90.00160276
_space_group... |
InsertBetweenAtomsAction | a134f8a1-2b11-4a71-8809-5690c35e2384 | mp-758795 | Insert a At atom in the line between atoms at indices 43 and 55, and the inserted atom must be 0.91 angstrom from atom at 43 in the cif file. | data_image0
_chemical_formula_structural Li8Fe8Si12O36
_chemical_formula_sum "Li8 Fe8 Si12 O36"
_cell_length_a 7.32447
_cell_length_b 10.657702
_cell_length_c 12.39328977
_cell_angle_alpha 68.47111259
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Li8Fe8Si12O36At
_chemical_formula_sum "Li8 Fe8 Si12 O36 At1"
_cell_length_a 7.32447
_cell_length_b 10.657702
_cell_length_c 12.39328977
_cell_angle_alpha 68.47111259
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-... |
InsertBetweenAtomsAction | 12534d45-f6a9-427c-837f-c28cca5f124a | mp-762374 | Insert a Ge atom in the line between atoms at indices 23 and 2, and the inserted atom must be 2.65 angstrom from atom at 23 in the cif file. | data_image0
_chemical_formula_structural Li4La3Nb12O36
_chemical_formula_sum "Li4 La3 Nb12 O36"
_cell_length_a 9.80564201
_cell_length_b 9.80564201
_cell_length_c 11.309894320000001
_cell_angle_alpha 72.8782134
_cell_angle_beta 72.8782134
_cell_angle_gamma 47.9613330499999... | data_image0
_chemical_formula_structural Li4La3Nb12O36Ge
_chemical_formula_sum "Li4 La3 Nb12 O36 Ge1"
_cell_length_a 9.80564201
_cell_length_b 9.80564201
_cell_length_c 11.309894320000001
_cell_angle_alpha 72.8782134
_cell_angle_beta 72.8782134
_cell_angle_gamma 47.9613330... |
InsertBetweenAtomsAction | a50f7e25-dfa5-480a-888d-2ca9ab9f48e0 | mp-1190647 | Insert a Hs atom in the line between atoms at indices 21 and 13, and the inserted atom must be 3.20 angstrom from atom at 21 in the cif file. | data_image0
_chemical_formula_structural Ge6F16
_chemical_formula_sum "Ge6 F16"
_cell_length_a 4.95938389
_cell_length_b 5.07969646
_cell_length_c 11.6762519
_cell_angle_alpha 90.0
_cell_angle_beta 90.8456569
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spac... | data_image0
_chemical_formula_structural Ge6F16Hs
_chemical_formula_sum "Ge6 F16 Hs1"
_cell_length_a 4.95938389
_cell_length_b 5.07969646
_cell_length_c 11.6762519
_cell_angle_alpha 90.0
_cell_angle_beta 90.8456569
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... |
InsertBetweenAtomsAction | 3d0984ed-cbfe-47ae-9442-0abfb43a3b41 | mp-1201547 | Insert a Cr atom in the line between atoms at indices 25 and 43, and the inserted atom must be 4.09 angstrom from atom at 25 in the cif file. | data_image0
_chemical_formula_structural Ho16B4Cl4O28
_chemical_formula_sum "Ho16 B4 Cl4 O28"
_cell_length_a 8.036807
_cell_length_b 8.596474
_cell_length_c 12.24668418
_cell_angle_alpha 59.98757995999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Ho16B4Cl4O28Cr
_chemical_formula_sum "Ho16 B4 Cl4 O28 Cr1"
_cell_length_a 8.036807
_cell_length_b 8.596474
_cell_length_c 12.24668418
_cell_angle_alpha 59.98757995999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_nam... |
InsertBetweenAtomsAction | 42a35e7e-a91b-4f21-9d29-b3b8a5740adf | mp-541574 | Insert a Br atom in the line between atoms at indices 25 and 21, and the inserted atom must be 4.68 angstrom from atom at 25 in the cif file. | data_image0
_chemical_formula_structural Ba4Y8Co4O20
_chemical_formula_sum "Ba4 Y8 Co4 O20"
_cell_length_a 5.770025
_cell_length_b 7.158529
_cell_length_c 12.39054
_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 Ba4Y8Co4O20Br
_chemical_formula_sum "Ba4 Y8 Co4 O20 Br1"
_cell_length_a 5.770025
_cell_length_b 7.158529
_cell_length_c 12.39054
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... |
InsertBetweenAtomsAction | 2301dece-57dc-447a-9ee5-cb2449d47145 | mp-780652 | Insert a Fm atom in the line between atoms at indices 11 and 87, and the inserted atom must be 2.70 angstrom from atom at 11 in the cif file. | data_image0
_chemical_formula_structural Li8V6P16O58
_chemical_formula_sum "Li8 V6 P16 O58"
_cell_length_a 9.759701
_cell_length_b 9.77116265
_cell_length_c 14.158486300000002
_cell_angle_alpha 90.21434484
_cell_angle_beta 90.02953718999999
_cell_angle_gamma 119.8580864799... | data_image0
_chemical_formula_structural Li8V6P16O58Fm
_chemical_formula_sum "Li8 V6 P16 O58 Fm1"
_cell_length_a 9.759701
_cell_length_b 9.77116265
_cell_length_c 14.158486300000002
_cell_angle_alpha 90.21434484
_cell_angle_beta 90.02953718999999
_cell_angle_gamma 119.8580... |
InsertBetweenAtomsAction | 3a4e7a7d-7bb4-401a-9e1b-82f9b3c01113 | mp-1209287 | Insert a Ds atom in the line between atoms at indices 10 and 43, and the inserted atom must be 1.91 angstrom from atom at 10 in the cif file. | data_image0
_chemical_formula_structural Rb8Sb8Cl8F24
_chemical_formula_sum "Rb8 Sb8 Cl8 F24"
_cell_length_a 8.238391
_cell_length_b 8.530666
_cell_length_c 15.415517
_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 Rb8Sb8Cl8F24Ds
_chemical_formula_sum "Rb8 Sb8 Cl8 F24 Ds1"
_cell_length_a 8.238391
_cell_length_b 8.530666
_cell_length_c 15.415517
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... |
InsertBetweenAtomsAction | c09d4305-0185-423d-b96b-03a91c201ed7 | mp-9619 | Insert a Mn atom in the line between atoms at indices 3 and 16, and the inserted atom must be 4.90 angstrom from atom at 3 in the cif file. | data_image0
_chemical_formula_structural ThFe4P12
_chemical_formula_sum "Th1 Fe4 P12"
_cell_length_a 6.73149237
_cell_length_b 6.73149087
_cell_length_c 6.73149244
_cell_angle_alpha 109.47121618
_cell_angle_beta 109.47121161
_cell_angle_gamma 109.47122107
_space_group_nam... | data_image0
_chemical_formula_structural ThFe4P12Mn
_chemical_formula_sum "Th1 Fe4 P12 Mn1"
_cell_length_a 6.73149237
_cell_length_b 6.73149087
_cell_length_c 6.73149244
_cell_angle_alpha 109.47121618
_cell_angle_beta 109.47121161
_cell_angle_gamma 109.47122107
_space_gro... |
InsertBetweenAtomsAction | c3549683-46e9-4367-b441-b3945787df2f | mp-1120783 | Insert a Ac atom in the line between atoms at indices 29 and 45, and the inserted atom must be 3.75 angstrom from atom at 29 in the cif file. | data_image0
_chemical_formula_structural Al30C30
_chemical_formula_sum "Al30 C30"
_cell_length_a 29.969771
_cell_length_b 8.06643
_cell_length_c 8.10666236
_cell_angle_alpha 89.63626339999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural Al30C30Ac
_chemical_formula_sum "Al30 C30 Ac1"
_cell_length_a 29.969771
_cell_length_b 8.06643
_cell_length_c 8.10666236
_cell_angle_alpha 89.63626339999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | 7db844c7-52e1-4b28-bc81-c7042b3d27ca | mp-1212973 | Insert a Fr atom in the line between atoms at indices 6 and 3, and the inserted atom must be 1.18 angstrom from atom at 6 in the cif file. | data_image0
_chemical_formula_structural Eu3Ti2O7
_chemical_formula_sum "Eu3 Ti2 O7"
_cell_length_a 10.51063287
_cell_length_b 10.510632869999998
_cell_length_c 10.51063287
_cell_angle_alpha 158.47110958
_cell_angle_beta 158.47110958
_cell_angle_gamma 30.631133560000006
_... | data_image0
_chemical_formula_structural Eu3Ti2O7Fr
_chemical_formula_sum "Eu3 Ti2 O7 Fr1"
_cell_length_a 10.51063287
_cell_length_b 10.510632869999998
_cell_length_c 10.51063287
_cell_angle_alpha 158.47110958
_cell_angle_beta 158.47110958
_cell_angle_gamma 30.631133560000... |
InsertBetweenAtomsAction | 0ac74fc1-f875-4ddc-a848-e378e93db3af | mp-699431 | Insert a O atom in the line between atoms at indices 1 and 26, and the inserted atom must be 3.70 angstrom from atom at 1 in the cif file. | data_image0
_chemical_formula_structural Al2H8Se4O16
_chemical_formula_sum "Al2 H8 Se4 O16"
_cell_length_a 6.640272
_cell_length_b 7.408615
_cell_length_c 8.922044719999999
_cell_angle_alpha 54.03288984999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_... | data_image0
_chemical_formula_structural Al2H8Se4O17
_chemical_formula_sum "Al2 H8 Se4 O17"
_cell_length_a 6.640272
_cell_length_b 7.408615
_cell_length_c 8.922044719999999
_cell_angle_alpha 54.03288984999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_... |
InsertBetweenAtomsAction | 8e7be81d-04ec-4e90-8454-c00ac3803c00 | mp-758323 | Insert a Pt atom in the line between atoms at indices 2 and 9, and the inserted atom must be 4.09 angstrom from atom at 2 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 Li2Ti3CoP6O24Pt
_chemical_formula_sum "Li2 Ti3 Co1 P6 O24 Pt1"
_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 | ccdd5dde-b9c1-4cb2-9418-6648dc1671c2 | mp-1213028 | Insert a Pd atom in the line between atoms at indices 3 and 7, and the inserted atom must be 3.33 angstrom from atom at 3 in the cif file. | data_image0
_chemical_formula_structural ErMn6Sn4Ge2
_chemical_formula_sum "Er1 Mn6 Sn4 Ge2"
_cell_length_a 5.3464204
_cell_length_b 5.3464204
_cell_length_c 8.664624
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000494
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural ErMn6Sn4Ge2Pd
_chemical_formula_sum "Er1 Mn6 Sn4 Ge2 Pd1"
_cell_length_a 5.3464204
_cell_length_b 5.3464204
_cell_length_c 8.664624
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000494
_space_group_name_H-M_a... |
InsertBetweenAtomsAction | 7c369fef-e96f-4625-b329-833b5a68e330 | mp-707519 | Insert a Al atom in the line between atoms at indices 2 and 41, and the inserted atom must be 7.51 angstrom from atom at 2 in the cif file. | data_image0
_chemical_formula_structural Mg16Si8HO32
_chemical_formula_sum "Mg16 Si8 H1 O32"
_cell_length_a 6.102962
_cell_length_b 9.63574753
_cell_length_c 10.39727497
_cell_angle_alpha 90.16461189
_cell_angle_beta 90.64687078
_cell_angle_gamma 90.73067906
_space_group_... | data_image0
_chemical_formula_structural Mg16Si8HO32Al
_chemical_formula_sum "Mg16 Si8 H1 O32 Al1"
_cell_length_a 6.102962
_cell_length_b 9.63574753
_cell_length_c 10.39727497
_cell_angle_alpha 90.16461189
_cell_angle_beta 90.64687078
_cell_angle_gamma 90.73067906
_space_... |
InsertBetweenAtomsAction | 33e2aac2-d2cd-41e9-9b22-b22c78d354ff | mp-1043069 | Insert a Db atom in the line between atoms at indices 7 and 6, and the inserted atom must be 1.46 angstrom from atom at 7 in the cif file. | data_image0
_chemical_formula_structural ZnCr4Cu3O12
_chemical_formula_sum "Zn1 Cr4 Cu3 O12"
_cell_length_a 6.35183077
_cell_length_b 6.365661799999999
_cell_length_c 6.36522988
_cell_angle_alpha 70.48853784
_cell_angle_beta 70.56204123999999
_cell_angle_gamma 109.42098417... | data_image0
_chemical_formula_structural ZnCr4Cu3O12Db
_chemical_formula_sum "Zn1 Cr4 Cu3 O12 Db1"
_cell_length_a 6.35183077
_cell_length_b 6.365661799999999
_cell_length_c 6.36522988
_cell_angle_alpha 70.48853784
_cell_angle_beta 70.56204123999999
_cell_angle_gamma 109.42... |
InsertBetweenAtomsAction | 4b154358-c1a2-43ae-aff8-60385a0d062b | mp-1188929 | Insert a Te atom in the line between atoms at indices 5 and 18, and the inserted atom must be 1.65 angstrom from atom at 5 in 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 Ti2Nb6S12Te
_chemical_formula_sum "Ti2 Nb6 S12 Te1"
_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
_... |
InsertBetweenAtomsAction | 841b158e-f1e1-44a3-a9a4-4d431186c7f2 | mp-29591 | Insert a Nb atom in the line between atoms at indices 12 and 4, and the inserted atom must be 4.49 angstrom from atom at 12 in the cif file. | data_image0
_chemical_formula_structural Sb6Cl2O8
_chemical_formula_sum "Sb6 Cl2 O8"
_cell_length_a 5.32733935
_cell_length_b 5.62084491
_cell_length_c 9.74475617
_cell_angle_alpha 94.99436294000002
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Sb6Cl2O8Nb
_chemical_formula_sum "Sb6 Cl2 O8 Nb1"
_cell_length_a 5.32733935
_cell_length_b 5.62084491
_cell_length_c 9.74475617
_cell_angle_alpha 94.99436294000002
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... |
InsertBetweenAtomsAction | 3a95d81c-6475-4f51-a367-b9f195af7137 | mp-1223532 | Insert a Sb atom in the line between atoms at indices 3 and 7, and the inserted atom must be 3.33 angstrom from atom at 3 in the cif file. | data_image0
_chemical_formula_structural K2La2C2O8
_chemical_formula_sum "K2 La2 C2 O8"
_cell_length_a 3.686097
_cell_length_b 4.760619
_cell_length_c 12.196384
_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 K2La2C2O8Sb
_chemical_formula_sum "K2 La2 C2 O8 Sb1"
_cell_length_a 3.686097
_cell_length_b 4.760619
_cell_length_c 12.196384
_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 | b7467055-5348-43d4-a9fa-5a454dfe75bc | mp-764512 | Insert a Ti atom in the line between atoms at indices 25 and 18, and the inserted atom must be 2.94 angstrom from atom at 25 in the cif file. | data_image0
_chemical_formula_structural Li5Fe8B8O24
_chemical_formula_sum "Li5 Fe8 B8 O24"
_cell_length_a 5.271667
_cell_length_b 9.04378802
_cell_length_c 11.420092480000001
_cell_angle_alpha 113.07253968
_cell_angle_beta 102.26797147
_cell_angle_gamma 89.8232808
_space... | data_image0
_chemical_formula_structural Li5Fe8B8O24Ti
_chemical_formula_sum "Li5 Fe8 B8 O24 Ti1"
_cell_length_a 5.271667
_cell_length_b 9.04378802
_cell_length_c 11.420092480000001
_cell_angle_alpha 113.07253968
_cell_angle_beta 102.26797147
_cell_angle_gamma 89.8232808
... |
InsertBetweenAtomsAction | 656f44d1-3fa6-41d3-8110-1db416632440 | mp-556425 | Insert a Sb atom in the line between atoms at indices 69 and 56, and the inserted atom must be 2.52 angstrom from atom at 69 in the cif file. | data_image0
_chemical_formula_structural Sb16F64
_chemical_formula_sum "Sb16 F64"
_cell_length_a 11.93503364
_cell_length_b 9.27435759
_cell_length_c 11.57642252
_cell_angle_alpha 72.80936813
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural Sb16F64Sb
_chemical_formula_sum "Sb17 F64"
_cell_length_a 11.93503364
_cell_length_b 9.27435759
_cell_length_c 11.57642252
_cell_angle_alpha 72.80936813
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
InsertBetweenAtomsAction | ddb82dd8-f3a4-4cc7-a9a4-5380489c5abf | mp-1376805 | Insert a Te atom in the line between atoms at indices 11 and 17, and the inserted atom must be 2.80 angstrom from atom at 11 in the cif file. | data_image0
_chemical_formula_structural Li3Fe5OF11
_chemical_formula_sum "Li3 Fe5 O1 F11"
_cell_length_a 5.256081
_cell_length_b 5.68770732
_cell_length_c 9.29113358
_cell_angle_alpha 107.28857676
_cell_angle_beta 89.09800657
_cell_angle_gamma 116.84259537
_space_group_n... | data_image0
_chemical_formula_structural Li3Fe5OF11Te
_chemical_formula_sum "Li3 Fe5 O1 F11 Te1"
_cell_length_a 5.256081
_cell_length_b 5.68770732
_cell_length_c 9.29113358
_cell_angle_alpha 107.28857676
_cell_angle_beta 89.09800657
_cell_angle_gamma 116.84259537
_space_g... |
InsertBetweenAtomsAction | 2b815e75-f10f-4934-a79a-381ea67b5d3b | mp-769018 | Insert a La atom in the line between atoms at indices 26 and 21, and the inserted atom must be 3.28 angstrom from atom at 26 in the cif file. | data_image0
_chemical_formula_structural Li4Fe8S12O48
_chemical_formula_sum "Li4 Fe8 S12 O48"
_cell_length_a 8.81743
_cell_length_b 8.529569
_cell_length_c 14.69161559
_cell_angle_alpha 55.572251030000004
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Li4Fe8S12O48La
_chemical_formula_sum "Li4 Fe8 S12 O48 La1"
_cell_length_a 8.81743
_cell_length_b 8.529569
_cell_length_c 14.69161559
_cell_angle_alpha 55.572251030000004
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_nam... |
InsertBetweenAtomsAction | 95d1da06-c10b-48cc-a0d4-d2baa22cc9f8 | mp-1190454 | Insert a Cs atom in the line between atoms at indices 12 and 0, and the inserted atom must be 0.45 angstrom from atom at 12 in the cif file. | data_image0
_chemical_formula_structural Ba2Hg2As4O14
_chemical_formula_sum "Ba2 Hg2 As4 O14"
_cell_length_a 5.946996
_cell_length_b 7.62598166
_cell_length_c 7.976073309999999
_cell_angle_alpha 101.61846343
_cell_angle_beta 90.95418678000001
_cell_angle_gamma 96.90320637
... | data_image0
_chemical_formula_structural Ba2Hg2As4O14Cs
_chemical_formula_sum "Ba2 Hg2 As4 O14 Cs1"
_cell_length_a 5.946996
_cell_length_b 7.62598166
_cell_length_c 7.976073309999999
_cell_angle_alpha 101.61846343
_cell_angle_beta 90.95418678000001
_cell_angle_gamma 96.903... |
InsertBetweenAtomsAction | 0c3b8d70-ad70-4577-b511-dd5d0ef3b721 | mp-26956 | Insert a Db atom in the line between atoms at indices 60 and 62, and the inserted atom must be 3.64 angstrom from atom at 60 in the cif file. | data_image0
_chemical_formula_structural V4P16O48
_chemical_formula_sum "V4 P16 O48"
_cell_length_a 8.410582
_cell_length_b 9.194688
_cell_length_c 12.866543
_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 V4P16O48Db
_chemical_formula_sum "V4 P16 O48 Db1"
_cell_length_a 8.410582
_cell_length_b 9.194688
_cell_length_c 12.866543
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spac... |
InsertBetweenAtomsAction | 2a0dfa4d-5109-4980-a76b-8362be9a6153 | mp-685100 | Insert a S atom in the line between atoms at indices 1 and 26, and the inserted atom must be 7.03 angstrom from atom at 1 in the cif file. | data_image0
_chemical_formula_structural Cu14I19
_chemical_formula_sum "Cu14 I19"
_cell_length_a 4.22313188
_cell_length_b 4.22313188
_cell_length_c 67.35931072000001
_cell_angle_alpha 88.48193098
_cell_angle_beta 88.48193098
_cell_angle_gamma 60.305504539999994
_space_gr... | data_image0
_chemical_formula_structural Cu14I19S
_chemical_formula_sum "Cu14 I19 S1"
_cell_length_a 4.22313188
_cell_length_b 4.22313188
_cell_length_c 67.35931072000001
_cell_angle_alpha 88.48193098
_cell_angle_beta 88.48193098
_cell_angle_gamma 60.305504539999994
_spac... |
InsertBetweenAtomsAction | 13191914-2bd3-4fb7-9d5b-8d54bfe69023 | mp-758465 | Insert a Cu atom in the line between atoms at indices 27 and 13, and the inserted atom must be 1.83 angstrom from atom at 27 in the cif file. | data_image0
_chemical_formula_structural Li8Fe4Si4O16
_chemical_formula_sum "Li8 Fe4 Si4 O16"
_cell_length_a 5.036854
_cell_length_b 6.341048
_cell_length_c 10.98591249
_cell_angle_alpha 87.58882018000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Li8Fe4Si4O16Cu
_chemical_formula_sum "Li8 Fe4 Si4 O16 Cu1"
_cell_length_a 5.036854
_cell_length_b 6.341048
_cell_length_c 10.98591249
_cell_angle_alpha 87.58882018000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_nam... |
InsertBetweenAtomsAction | cbfd6230-2549-4b47-b4f8-d383cfd1282c | mp-1236405 | Insert a Lu atom in the line between atoms at indices 9 and 2, and the inserted atom must be 5.50 angstrom from atom at 9 in the cif file. | data_image0
_chemical_formula_structural Cs7LiAu5O2
_chemical_formula_sum "Cs7 Li1 Au5 O2"
_cell_length_a 5.97147771
_cell_length_b 10.33391587
_cell_length_c 10.80351527
_cell_angle_alpha 118.57563323999999
_cell_angle_beta 105.98975446
_cell_angle_gamma 89.99598372000001... | data_image0
_chemical_formula_structural Cs7LiAu5O2Lu
_chemical_formula_sum "Cs7 Li1 Au5 O2 Lu1"
_cell_length_a 5.97147771
_cell_length_b 10.33391587
_cell_length_c 10.80351527
_cell_angle_alpha 118.57563323999999
_cell_angle_beta 105.98975446
_cell_angle_gamma 89.99598372... |
InsertBetweenAtomsAction | c3eec274-4a73-4bdb-a648-0ee450537818 | mp-26069 | Insert a Au atom in the line between atoms at indices 59 and 65, and the inserted atom must be 5.74 angstrom from atom at 59 in the cif file. | data_image0
_chemical_formula_structural Li12Fe8P12O48
_chemical_formula_sum "Li12 Fe8 P12 O48"
_cell_length_a 8.756093
_cell_length_b 8.50317
_cell_length_c 14.72001694
_cell_angle_alpha 55.23547895
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Li12Fe8P12O48Au
_chemical_formula_sum "Li12 Fe8 P12 O48 Au1"
_cell_length_a 8.756093
_cell_length_b 8.50317
_cell_length_c 14.72001694
_cell_angle_alpha 55.23547895
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M... |
InsertBetweenAtomsAction | 4258da24-7c69-4127-9644-9ac3f1e41df6 | mp-1220955 | Insert a Lr atom in the line between atoms at indices 8 and 10, and the inserted atom must be 1.87 angstrom from atom at 8 in the cif file. | data_image0
_chemical_formula_structural NaSr2Fe6As6
_chemical_formula_sum "Na1 Sr2 Fe6 As6"
_cell_length_a 5.51590271
_cell_length_b 6.51737211
_cell_length_c 8.85506829
_cell_angle_alpha 114.12208189
_cell_angle_beta 71.85308938
_cell_angle_gamma 90.0
_space_group_name_... | data_image0
_chemical_formula_structural NaSr2Fe6As6Lr
_chemical_formula_sum "Na1 Sr2 Fe6 As6 Lr1"
_cell_length_a 5.51590271
_cell_length_b 6.51737211
_cell_length_c 8.85506829
_cell_angle_alpha 114.12208189
_cell_angle_beta 71.85308938
_cell_angle_gamma 90.0
_space_group... |
InsertBetweenAtomsAction | a8809aaf-670c-4307-8aea-048da387d0f6 | mp-1218118 | Insert a W atom in the line between atoms at indices 4 and 1, and the inserted atom must be 1.53 angstrom from atom at 4 in the cif file. | data_image0
_chemical_formula_structural SrSm3Mn4O12
_chemical_formula_sum "Sr1 Sm3 Mn4 O12"
_cell_length_a 7.759847
_cell_length_b 5.466754
_cell_length_c 5.65238137
_cell_angle_alpha 89.69635752
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural SrSm3Mn4O12W
_chemical_formula_sum "Sr1 Sm3 Mn4 O12 W1"
_cell_length_a 7.759847
_cell_length_b 5.466754
_cell_length_c 5.65238137
_cell_angle_alpha 89.69635752
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | 214d454d-5d1e-4c46-8e33-ce72fb3bbb0b | mp-1111394 | Insert a In atom in the line between atoms at indices 2 and 3, and the inserted atom must be 3.11 angstrom from atom at 2 in the cif file. | data_image0
_chemical_formula_structural CsRb2IrF6
_chemical_formula_sum "Cs1 Rb2 Ir1 F6"
_cell_length_a 6.78428369
_cell_length_b 6.78428369
_cell_length_c 6.78428369
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.999999999999... | data_image0
_chemical_formula_structural CsRb2IrF6In
_chemical_formula_sum "Cs1 Rb2 Ir1 F6 In1"
_cell_length_a 6.78428369
_cell_length_b 6.78428369
_cell_length_c 6.78428369
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.999999... |
InsertBetweenAtomsAction | 4af51e39-e99f-4dd0-a08f-750267cbe58b | mp-757501 | Insert a Rg atom in the line between atoms at indices 24 and 13, and the inserted atom must be 3.68 angstrom from atom at 24 in the cif file. | data_image0
_chemical_formula_structural Ba6Mn6O18
_chemical_formula_sum "Ba6 Mn6 O18"
_cell_length_a 5.69121041
_cell_length_b 5.6912105
_cell_length_c 14.053766149999998
_cell_angle_alpha 90.0000012
_cell_angle_beta 89.9999992
_cell_angle_gamma 120.00005113
_space_group... | data_image0
_chemical_formula_structural Ba6Mn6O18Rg
_chemical_formula_sum "Ba6 Mn6 O18 Rg1"
_cell_length_a 5.69121041
_cell_length_b 5.6912105
_cell_length_c 14.053766149999998
_cell_angle_alpha 90.0000012
_cell_angle_beta 89.9999992
_cell_angle_gamma 120.00005113
_space... |
InsertBetweenAtomsAction | 8ceb3e4d-95be-4f0c-9392-be88d3aa62c8 | mp-757811 | Insert a Sn atom in the line between atoms at indices 5 and 35, and the inserted atom must be 1.30 angstrom from atom at 5 in the cif file. | data_image0
_chemical_formula_structural Li6V6P8O32
_chemical_formula_sum "Li6 V6 P8 O32"
_cell_length_a 11.287402
_cell_length_b 6.188605
_cell_length_c 8.723597300000002
_cell_angle_alpha 79.1560149
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Li6V6P8O32Sn
_chemical_formula_sum "Li6 V6 P8 O32 Sn1"
_cell_length_a 11.287402
_cell_length_b 6.188605
_cell_length_c 8.723597300000002
_cell_angle_alpha 79.1560149
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-... |
InsertBetweenAtomsAction | 706f52b8-453b-401e-b99f-6227d8097b47 | mp-1239124 | Insert a Sg atom in the line between atoms at indices 10 and 3, and the inserted atom must be 3.37 angstrom from atom at 10 in the cif file. | data_image0
_chemical_formula_structural Zr2Cr2Cu2S8
_chemical_formula_sum "Zr2 Cr2 Cu2 S8"
_cell_length_a 7.15543779
_cell_length_b 6.081561600000001
_cell_length_c 5.95362075
_cell_angle_alpha 92.72278084
_cell_angle_beta 89.99806957
_cell_angle_gamma 90.00046963
_space... | data_image0
_chemical_formula_structural Zr2Cr2Cu2S8Sg
_chemical_formula_sum "Zr2 Cr2 Cu2 S8 Sg1"
_cell_length_a 7.15543779
_cell_length_b 6.081561600000001
_cell_length_c 5.95362075
_cell_angle_alpha 92.72278084
_cell_angle_beta 89.99806957
_cell_angle_gamma 90.00046963
... |
InsertBetweenAtomsAction | 7ee62d2e-0d1f-4d95-87d0-553630eae899 | mp-1224356 | Insert a Ne atom in the line between atoms at indices 5 and 8, and the inserted atom must be 7.08 angstrom from atom at 5 in the cif file. | data_image0
_chemical_formula_structural Ge5Te4Se
_chemical_formula_sum "Ge5 Te4 Se1"
_cell_length_a 15.39442332
_cell_length_b 15.394423320000001
_cell_length_c 15.394423320000001
_cell_angle_alpha 164.30776993999996
_cell_angle_beta 164.30776994
_cell_angle_gamma 22.2626... | data_image0
_chemical_formula_structural Ge5Te4SeNe
_chemical_formula_sum "Ge5 Te4 Se1 Ne1"
_cell_length_a 15.39442332
_cell_length_b 15.394423320000001
_cell_length_c 15.394423320000001
_cell_angle_alpha 164.30776993999996
_cell_angle_beta 164.30776994
_cell_angle_gamma 2... |
InsertBetweenAtomsAction | 33cc4ad4-c3cf-4319-818a-f8dbe80ff5bc | mp-23043 | Insert a Pm atom in the line between atoms at indices 13 and 0, and the inserted atom must be 4.42 angstrom from atom at 13 in the cif file. | data_image0
_chemical_formula_structural Rb2Pb4Br10
_chemical_formula_sum "Rb2 Pb4 Br10"
_cell_length_a 9.54845393
_cell_length_b 9.54845393
_cell_length_c 9.54845393
_cell_angle_alpha 127.32959069999995
_cell_angle_beta 127.32959069999998
_cell_angle_gamma 77.71361011
_s... | data_image0
_chemical_formula_structural Rb2Pb4Br10Pm
_chemical_formula_sum "Rb2 Pb4 Br10 Pm1"
_cell_length_a 9.54845393
_cell_length_b 9.54845393
_cell_length_c 9.54845393
_cell_angle_alpha 127.32959069999995
_cell_angle_beta 127.32959069999998
_cell_angle_gamma 77.713610... |
InsertBetweenAtomsAction | d3018620-1011-468a-9aee-4995a6948479 | mp-1110869 | Insert a Nd atom in the line between atoms at indices 1 and 3, and the inserted atom must be 3.46 angstrom from atom at 1 in the cif file. | data_image0
_chemical_formula_structural K2LiBiCl6
_chemical_formula_sum "K2 Li1 Bi1 Cl6"
_cell_length_a 7.45983371
_cell_length_b 7.45983371
_cell_length_c 7.45983371
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999999999999... | data_image0
_chemical_formula_structural K2LiBiCl6Nd
_chemical_formula_sum "K2 Li1 Bi1 Cl6 Nd1"
_cell_length_a 7.45983371
_cell_length_b 7.45983371
_cell_length_c 7.45983371
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999999... |
InsertBetweenAtomsAction | 066b81e1-c29d-4fe9-8bea-d0265f83b702 | mp-29276 | Insert a Sb atom in the line between atoms at indices 21 and 40, and the inserted atom must be 1.61 angstrom from atom at 21 in the cif file. | data_image0
_chemical_formula_structural Cd4P12O34
_chemical_formula_sum "Cd4 P12 O34"
_cell_length_a 18.14337869
_cell_length_b 5.50104233
_cell_length_c 7.61768762
_cell_angle_alpha 68.48695643
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Cd4P12O34Sb
_chemical_formula_sum "Cd4 P12 O34 Sb1"
_cell_length_a 18.14337869
_cell_length_b 5.50104233
_cell_length_c 7.61768762
_cell_angle_alpha 68.48695643
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... |
InsertBetweenAtomsAction | 638524e8-96ff-4b07-ac9c-ceb6eadc3be8 | mp-504659 | Insert a Cl atom in the line between atoms at indices 29 and 34, and the inserted atom must be 4.47 angstrom from atom at 29 in the cif file. | data_image0
_chemical_formula_structural Hf24P12
_chemical_formula_sum "Hf24 P12"
_cell_length_a 3.58496007
_cell_length_b 12.21962583
_cell_length_c 15.00803885
_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 Hf24P12Cl
_chemical_formula_sum "Hf24 P12 Cl1"
_cell_length_a 3.58496007
_cell_length_b 12.21962583
_cell_length_c 15.00803885
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
InsertBetweenAtomsAction | 61ad2a91-8a84-48fc-9891-2ca4736a907e | mp-1221529 | Insert a Ce atom in the line between atoms at indices 10 and 6, and the inserted atom must be 1.97 angstrom from atom at 10 in the cif file. | data_image0
_chemical_formula_structural Mn2Zn2S8
_chemical_formula_sum "Mn2 Zn2 S8"
_cell_length_a 5.725862
_cell_length_b 5.715813
_cell_length_c 5.7419629
_cell_angle_alpha 89.56709164
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... | data_image0
_chemical_formula_structural Mn2Zn2S8Ce
_chemical_formula_sum "Mn2 Zn2 S8 Ce1"
_cell_length_a 5.725862
_cell_length_b 5.715813
_cell_length_c 5.7419629
_cell_angle_alpha 89.56709164
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
InsertBetweenAtomsAction | e2e1fff5-894e-4771-940d-95e053076a5c | mp-31273 | Insert a Ds atom in the line between atoms at indices 20 and 11, and the inserted atom must be 2.50 angstrom from atom at 20 in the cif file. | data_image0
_chemical_formula_structural La8Cu4S16
_chemical_formula_sum "La8 Cu4 S16"
_cell_length_a 7.57804436
_cell_length_b 7.7499303
_cell_length_c 10.90141497
_cell_angle_alpha 75.46525323
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural La8Cu4S16Ds
_chemical_formula_sum "La8 Cu4 S16 Ds1"
_cell_length_a 7.57804436
_cell_length_b 7.7499303
_cell_length_c 10.90141497
_cell_angle_alpha 75.46525323
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | d38aed26-89ab-48ec-9f91-b85173a790fa | mp-1221103 | Insert a Sm atom in the line between atoms at indices 6 and 4, and the inserted atom must be 7.00 angstrom from atom at 6 in the cif file. | data_image0
_chemical_formula_structural NaV2S4O4
_chemical_formula_sum "Na1 V2 S4 O4"
_cell_length_a 3.786281
_cell_length_b 5.825814
_cell_length_c 10.46489165
_cell_angle_alpha 74.1597122
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... | data_image0
_chemical_formula_structural NaV2S4O4Sm
_chemical_formula_sum "Na1 V2 S4 O4 Sm1"
_cell_length_a 3.786281
_cell_length_b 5.825814
_cell_length_c 10.46489165
_cell_angle_alpha 74.1597122
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... |
InsertBetweenAtomsAction | 7d0ceabd-b6ba-4739-9922-b08598defde0 | mp-23973 | Insert a Ga atom in the line between atoms at indices 14 and 17, and the inserted atom must be 1.31 angstrom from atom at 14 in the cif file. | data_image0
_chemical_formula_structural K4Mn4P4H8O20
_chemical_formula_sum "K4 Mn4 P4 H8 O20"
_cell_length_a 7.57882163
_cell_length_b 7.5755201
_cell_length_c 9.82198348
_cell_angle_alpha 70.94888752
_cell_angle_beta 70.91164623
_cell_angle_gamma 98.87216427999999
_spac... | data_image0
_chemical_formula_structural K4Mn4P4H8O20Ga
_chemical_formula_sum "K4 Mn4 P4 H8 O20 Ga1"
_cell_length_a 7.57882163
_cell_length_b 7.5755201
_cell_length_c 9.82198348
_cell_angle_alpha 70.94888752
_cell_angle_beta 70.91164623
_cell_angle_gamma 98.87216427999999
... |
InsertBetweenAtomsAction | 3372ced5-c57c-428d-9a24-aaada0ca0071 | mp-1188654 | Insert a Cl atom in the line between atoms at indices 11 and 17, and the inserted atom must be 1.45 angstrom from atom at 11 in the cif file. | data_image0
_chemical_formula_structural W4N4Cl12
_chemical_formula_sum "W4 N4 Cl12"
_cell_length_a 8.12441992
_cell_length_b 8.26346325
_cell_length_c 9.19329053
_cell_angle_alpha 97.92750325
_cell_angle_beta 107.37182531999999
_cell_angle_gamma 110.76745427000002
_space... | data_image0
_chemical_formula_structural W4N4Cl13
_chemical_formula_sum "W4 N4 Cl13"
_cell_length_a 8.12441992
_cell_length_b 8.26346325
_cell_length_c 9.19329053
_cell_angle_alpha 97.92750325
_cell_angle_beta 107.37182531999999
_cell_angle_gamma 110.76745427000002
_space... |
InsertBetweenAtomsAction | 07f0eeed-26ae-49b4-bee8-a9b197121721 | mp-571242 | Insert a Ge atom in the line between atoms at indices 5 and 24, and the inserted atom must be 4.14 angstrom from atom at 5 in the cif file. | data_image0
_chemical_formula_structural Rb8Co4Cl16
_chemical_formula_sum "Rb8 Co4 Cl16"
_cell_length_a 7.387085
_cell_length_b 9.38057
_cell_length_c 12.932925
_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 Rb8Co4Cl16Ge
_chemical_formula_sum "Rb8 Co4 Cl16 Ge1"
_cell_length_a 7.387085
_cell_length_b 9.38057
_cell_length_c 12.932925
_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 | c5aef55a-4fae-4386-9dfb-05fc0e1dcec0 | mp-505638 | Insert a Am atom in the line between atoms at indices 10 and 26, and the inserted atom must be 1.72 angstrom from atom at 10 in the cif file. | data_image0
_chemical_formula_structural Tb12Cr4Se24
_chemical_formula_sum "Tb12 Cr4 Se24"
_cell_length_a 3.93849841
_cell_length_b 13.95269839
_cell_length_c 16.78435688
_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 Tb12Cr4Se24Am
_chemical_formula_sum "Tb12 Cr4 Se24 Am1"
_cell_length_a 3.93849841
_cell_length_b 13.95269839
_cell_length_c 16.78435688
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | 9cdc5d3e-6d25-487a-9284-cff362e22790 | mp-1210133 | Insert a Ge atom in the line between atoms at indices 36 and 25, and the inserted atom must be 0.37 angstrom from atom at 36 in the cif file. | data_image0
_chemical_formula_structural Na4Ga4P8O28
_chemical_formula_sum "Na4 Ga4 P8 O28"
_cell_length_a 7.923065
_cell_length_b 7.374088
_cell_length_c 9.57433286
_cell_angle_alpha 67.84418012
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Na4Ga4P8O28Ge
_chemical_formula_sum "Na4 Ga4 P8 O28 Ge1"
_cell_length_a 7.923065
_cell_length_b 7.374088
_cell_length_c 9.57433286
_cell_angle_alpha 67.84418012
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... |
InsertBetweenAtomsAction | 4f0586de-9733-4412-b6df-dc9faa8053a9 | mp-2217302 | Insert a Eu atom in the line between atoms at indices 2 and 7, and the inserted atom must be 0.79 angstrom from atom at 2 in the cif file. | data_image0
_chemical_formula_structural Ba2MgNi2O6
_chemical_formula_sum "Ba2 Mg1 Ni2 O6"
_cell_length_a 5.769695
_cell_length_b 5.76969214
_cell_length_c 5.579483
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99997936
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Ba2MgNi2O6Eu
_chemical_formula_sum "Ba2 Mg1 Ni2 O6 Eu1"
_cell_length_a 5.769695
_cell_length_b 5.76969214
_cell_length_c 5.579483
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99997936
_space_group_name_H-M_alt... |
InsertBetweenAtomsAction | dfd9d6bd-b365-41ab-b25f-06285b195f9e | mp-2715515 | Insert a W atom in the line between atoms at indices 47 and 53, and the inserted atom must be 13.74 angstrom from atom at 47 in the cif file. | data_image0
_chemical_formula_structural Na12Sc4In4P12O48
_chemical_formula_sum "Na12 Sc4 In4 P12 O48"
_cell_length_a 15.76486001
_cell_length_b 9.08651758
_cell_length_c 9.08837646
_cell_angle_alpha 90.03804390000002
_cell_angle_beta 125.0957745
_cell_angle_gamma 89.99739... | data_image0
_chemical_formula_structural Na12Sc4In4P12O48W
_chemical_formula_sum "Na12 Sc4 In4 P12 O48 W1"
_cell_length_a 15.76486001
_cell_length_b 9.08651758
_cell_length_c 9.08837646
_cell_angle_alpha 90.03804390000002
_cell_angle_beta 125.0957745
_cell_angle_gamma 89.9... |
InsertBetweenAtomsAction | 0c829d9f-cffc-4b13-be22-5f3cec0868a9 | mp-1102140 | Insert a P atom in the line between atoms at indices 4 and 6, and the inserted atom must be 1.14 angstrom from atom at 4 in the cif file. | data_image0
_chemical_formula_structural Nd4Si4Ir4
_chemical_formula_sum "Nd4 Si4 Ir4"
_cell_length_a 6.33666694
_cell_length_b 6.33666694
_cell_length_c 6.33666694
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... | data_image0
_chemical_formula_structural Nd4Si4Ir4P
_chemical_formula_sum "Nd4 Si4 Ir4 P1"
_cell_length_a 6.33666694
_cell_length_b 6.33666694
_cell_length_c 6.33666694
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... |
InsertBetweenAtomsAction | bf10047a-f5b1-408e-bd7f-6927beb654b9 | mp-1194264 | Insert a Co atom in the line between atoms at indices 12 and 23, and the inserted atom must be 0.58 angstrom from atom at 12 in the cif file. | data_image0
_chemical_formula_structural Sc6Al16Ni7
_chemical_formula_sum "Sc6 Al16 Ni7"
_cell_length_a 8.53691573
_cell_length_b 8.53691573
_cell_length_c 8.53691573
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999... | data_image0
_chemical_formula_structural Sc6Al16Ni7Co
_chemical_formula_sum "Sc6 Al16 Ni7 Co1"
_cell_length_a 8.53691573
_cell_length_b 8.53691573
_cell_length_c 8.53691573
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999... |
InsertBetweenAtomsAction | 53b6ad52-b3bd-4f7a-80b9-dea0cff23fee | mp-2226919 | Insert a Tb atom in the line between atoms at indices 13 and 2, and the inserted atom must be 2.18 angstrom from atom at 13 in the cif file. | data_image0
_chemical_formula_structural MgFe2Mo2Cl2O8
_chemical_formula_sum "Mg1 Fe2 Mo2 Cl2 O8"
_cell_length_a 5.33320689
_cell_length_b 7.18641312
_cell_length_c 7.20677149
_cell_angle_alpha 92.84107388
_cell_angle_beta 89.34579586
_cell_angle_gamma 89.2235641
_space_g... | data_image0
_chemical_formula_structural MgFe2Mo2Cl2O8Tb
_chemical_formula_sum "Mg1 Fe2 Mo2 Cl2 O8 Tb1"
_cell_length_a 5.33320689
_cell_length_b 7.18641312
_cell_length_c 7.20677149
_cell_angle_alpha 92.84107388
_cell_angle_beta 89.34579586
_cell_angle_gamma 89.2235641
_s... |
InsertBetweenAtomsAction | ef6dc24d-6154-4879-98c9-ef38ae169da8 | mp-2240560 | Insert a Ar atom in the line between atoms at indices 8 and 6, and the inserted atom must be 2.14 angstrom from atom at 8 in the cif file. | data_image0
_chemical_formula_structural MgTiCo2O6
_chemical_formula_sum "Mg1 Ti1 Co2 O6"
_cell_length_a 6.73686587
_cell_length_b 3.0145380700000004
_cell_length_c 5.8034589599999995
_cell_angle_alpha 75.93404697
_cell_angle_beta 104.75206637
_cell_angle_gamma 89.44645409... | data_image0
_chemical_formula_structural MgTiCo2O6Ar
_chemical_formula_sum "Mg1 Ti1 Co2 O6 Ar1"
_cell_length_a 6.73686587
_cell_length_b 3.0145380700000004
_cell_length_c 5.8034589599999995
_cell_angle_alpha 75.93404697
_cell_angle_beta 104.75206637
_cell_angle_gamma 89.44... |
InsertBetweenAtomsAction | d26df6e1-8f40-41d9-a188-c15ccc4362d7 | mp-770718 | Insert a Rh atom in the line between atoms at indices 9 and 35, and the inserted atom must be 1.27 angstrom from atom at 9 in the cif file. | data_image0
_chemical_formula_structural Mg4I8O24
_chemical_formula_sum "Mg4 I8 O24"
_cell_length_a 5.390324
_cell_length_b 5.70446
_cell_length_c 17.26379
_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 Mg4I8O24Rh
_chemical_formula_sum "Mg4 I8 O24 Rh1"
_cell_length_a 5.390324
_cell_length_b 5.70446
_cell_length_c 17.26379
_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 | f690032b-8fd8-4877-92a1-940ffbaf7488 | mp-704184 | Insert a Rg atom in the line between atoms at indices 57 and 42, and the inserted atom must be 2.16 angstrom from atom at 57 in the cif file. | data_image0
_chemical_formula_structural Li4Mn4P16O48
_chemical_formula_sum "Li4 Mn4 P16 O48"
_cell_length_a 9.314677
_cell_length_b 9.314677
_cell_length_c 9.332751
_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 Li4Mn4P16O48Rg
_chemical_formula_sum "Li4 Mn4 P16 O48 Rg1"
_cell_length_a 9.314677
_cell_length_b 9.314677
_cell_length_c 9.332751
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
InsertBetweenAtomsAction | 187959f1-9f9e-4369-8bce-786c70b78a39 | mp-1336779 | Insert a No atom in the line between atoms at indices 60 and 41, and the inserted atom must be 15.86 angstrom from atom at 60 in the cif file. | data_image0
_chemical_formula_structural Lu20Fe10S40
_chemical_formula_sum "Lu20 Fe10 S40"
_cell_length_a 7.560596
_cell_length_b 7.682109979999999
_cell_length_c 31.038779590000004
_cell_angle_alpha 96.46261670999999
_cell_angle_beta 90.21349288999998
_cell_angle_gamma 11... | data_image0
_chemical_formula_structural Lu20Fe10S40No
_chemical_formula_sum "Lu20 Fe10 S40 No1"
_cell_length_a 7.560596
_cell_length_b 7.682109979999999
_cell_length_c 31.038779590000004
_cell_angle_alpha 96.46261670999999
_cell_angle_beta 90.21349288999998
_cell_angle_gamma... |
InsertBetweenAtomsAction | fd18f4ae-dd2d-4b5c-9c97-d1b785d111b6 | mp-1516503 | Insert a Se atom in the line between atoms at indices 5 and 1, and the inserted atom must be 6.52 angstrom from atom at 5 in the cif file. | data_image0
_chemical_formula_structural KHfNbInO6
_chemical_formula_sum "K1 Hf1 Nb1 In1 O6"
_cell_length_a 5.78982912
_cell_length_b 5.78982912
_cell_length_c 5.78982912
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999999999... | data_image0
_chemical_formula_structural KHfNbInO6Se
_chemical_formula_sum "K1 Hf1 Nb1 In1 O6 Se1"
_cell_length_a 5.78982912
_cell_length_b 5.78982912
_cell_length_c 5.78982912
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999... |
InsertBetweenAtomsAction | 2238c618-8b4b-4140-a90a-70810b5f3a98 | mp-1195261 | Insert a Cs atom in the line between atoms at indices 43 and 54, and the inserted atom must be 2.15 angstrom from atom at 43 in the cif file. | data_image0
_chemical_formula_structural Ag6Sb8F48
_chemical_formula_sum "Ag6 Sb8 F48"
_cell_length_a 10.98733358
_cell_length_b 10.987333580000001
_cell_length_c 10.987333580000001
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063... | data_image0
_chemical_formula_structural Ag6Sb8F48Cs
_chemical_formula_sum "Ag6 Sb8 F48 Cs1"
_cell_length_a 10.98733358
_cell_length_b 10.987333580000001
_cell_length_c 10.987333580000001
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47... |
InsertBetweenAtomsAction | 884412d9-5a5f-4728-aee3-147f75bc445f | mp-1099676 | Insert a K atom in the line between atoms at indices 31 and 15, and the inserted atom must be 0.80 angstrom from atom at 31 in the cif file. | data_image0
_chemical_formula_structural Ba4Sr4CoCu7O24
_chemical_formula_sum "Ba4 Sr4 Co1 Cu7 O24"
_cell_length_a 7.91666219
_cell_length_b 7.91666219
_cell_length_c 7.92090246
_cell_angle_alpha 89.93417752
_cell_angle_beta 89.93417752
_cell_angle_gamma 90.00985648
_spac... | data_image0
_chemical_formula_structural Ba4Sr4CoCu7O24K
_chemical_formula_sum "Ba4 Sr4 Co1 Cu7 O24 K1"
_cell_length_a 7.91666219
_cell_length_b 7.91666219
_cell_length_c 7.92090246
_cell_angle_alpha 89.93417752
_cell_angle_beta 89.93417752
_cell_angle_gamma 90.00985648
_... |
InsertBetweenAtomsAction | 85e91223-1551-4c51-8a64-9b41f763f082 | mp-779526 | Insert a Xe atom in the line between atoms at indices 12 and 2, and the inserted atom must be 1.61 angstrom from atom at 12 in the cif file. | data_image0
_chemical_formula_structural Fe10O14F6
_chemical_formula_sum "Fe10 O14 F6"
_cell_length_a 4.66250841
_cell_length_b 4.662508409999999
_cell_length_c 15.263086439999999
_cell_angle_alpha 89.97313512
_cell_angle_beta 89.97313512
_cell_angle_gamma 91.42331972
_sp... | data_image0
_chemical_formula_structural Fe10O14F6Xe
_chemical_formula_sum "Fe10 O14 F6 Xe1"
_cell_length_a 4.66250841
_cell_length_b 4.662508409999999
_cell_length_c 15.263086439999999
_cell_angle_alpha 89.97313512
_cell_angle_beta 89.97313512
_cell_angle_gamma 91.4233197... |
InsertBetweenAtomsAction | d3a63f43-6c04-4460-8a10-1370298b32a3 | mp-770481 | Insert a Cs atom in the line between atoms at indices 28 and 13, and the inserted atom must be 1.20 angstrom from atom at 28 in the cif file. | data_image0
_chemical_formula_structural Ta9PO25
_chemical_formula_sum "Ta9 P1 O25"
_cell_length_a 11.21513065
_cell_length_b 11.21512517
_cell_length_c 11.21509722
_cell_angle_alpha 91.67753232
_cell_angle_beta 91.67759269
_cell_angle_gamma 160.29681594
_space_group_name... | data_image0
_chemical_formula_structural Ta9PO25Cs
_chemical_formula_sum "Ta9 P1 O25 Cs1"
_cell_length_a 11.21513065
_cell_length_b 11.21512517
_cell_length_c 11.21509722
_cell_angle_alpha 91.67753232
_cell_angle_beta 91.67759269
_cell_angle_gamma 160.29681594
_space_grou... |
InsertBetweenAtomsAction | 840a76c7-a52c-46fa-8b43-815eafe0915f | mp-505712 | Insert a Ce atom in the line between atoms at indices 9 and 11, and the inserted atom must be 8.10 angstrom from atom at 9 in the cif file. | data_image0
_chemical_formula_structural Cs2Ho2Zn2Se6
_chemical_formula_sum "Cs2 Ho2 Zn2 Se6"
_cell_length_a 8.28448384
_cell_length_b 8.28448384
_cell_length_c 10.92566093
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 151.10575998000002
_space_group_name... | data_image0
_chemical_formula_structural Cs2Ho2Zn2Se6Ce
_chemical_formula_sum "Cs2 Ho2 Zn2 Se6 Ce1"
_cell_length_a 8.28448384
_cell_length_b 8.28448384
_cell_length_c 10.92566093
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 151.10575998000002
_space_grou... |
InsertBetweenAtomsAction | 1037cd31-8798-483d-b421-4512cc2cb902 | mp-27148 | Insert a He atom in the line between atoms at indices 15 and 16, and the inserted atom must be 4.56 angstrom from atom at 15 in the cif file. | data_image0
_chemical_formula_structural Be8P16
_chemical_formula_sum "Be8 P16"
_cell_length_a 7.09559749
_cell_length_b 7.09554379
_cell_length_c 7.91790262
_cell_angle_alpha 102.93066382999999
_cell_angle_beta 102.93109404
_cell_angle_gamma 89.99270083
_space_group_name... | data_image0
_chemical_formula_structural Be8P16He
_chemical_formula_sum "Be8 P16 He1"
_cell_length_a 7.09559749
_cell_length_b 7.09554379
_cell_length_c 7.91790262
_cell_angle_alpha 102.93066382999999
_cell_angle_beta 102.93109404
_cell_angle_gamma 89.99270083
_space_grou... |
InsertBetweenAtomsAction | 24a27bca-c43c-49e2-b5d4-efdbb19416d8 | mp-756674 | Insert a Au atom in the line between atoms at indices 9 and 22, and the inserted atom must be 1.55 angstrom from atom at 9 in the cif file. | data_image0
_chemical_formula_structural Li12Mn4O8F4
_chemical_formula_sum "Li12 Mn4 O8 F4"
_cell_length_a 9.02285
_cell_length_b 9.97236
_cell_length_c 3.55013
_cell_angle_alpha 89.99999425
_cell_angle_beta 89.99999365
_cell_angle_gamma 90.00002418999999
_space_group_nam... | data_image0
_chemical_formula_structural Li12Mn4O8F4Au
_chemical_formula_sum "Li12 Mn4 O8 F4 Au1"
_cell_length_a 9.02285
_cell_length_b 9.97236
_cell_length_c 3.55013
_cell_angle_alpha 89.99999425
_cell_angle_beta 89.99999365
_cell_angle_gamma 90.00002418999999
_space_gro... |
InsertBetweenAtomsAction | 753a1797-c804-4b8f-9769-d36b355da419 | mp-766361 | Insert a S atom in the line between atoms at indices 61 and 55, and the inserted atom must be 3.50 angstrom from atom at 61 in the cif file. | data_image0
_chemical_formula_structural Nb20O50
_chemical_formula_sum "Nb20 O50"
_cell_length_a 11.51573649
_cell_length_b 7.73121522
_cell_length_c 11.39097549
_cell_angle_alpha 99.72313305
_cell_angle_beta 92.01661777
_cell_angle_gamma 80.29335282
_space_group_name_H-M... | data_image0
_chemical_formula_structural Nb20O50S
_chemical_formula_sum "Nb20 O50 S1"
_cell_length_a 11.51573649
_cell_length_b 7.73121522
_cell_length_c 11.39097549
_cell_angle_alpha 99.72313305
_cell_angle_beta 92.01661777
_cell_angle_gamma 80.29335282
_space_group_name... |
InsertBetweenAtomsAction | e3db1cc2-0c27-4564-af31-d2284b2fd54e | mp-1185716 | Insert a W atom in the line between atoms at indices 0 and 27, and the inserted atom must be 3.80 angstrom from atom at 0 in the cif file. | data_image0
_chemical_formula_structural Mg16Al12V
_chemical_formula_sum "Mg16 Al12 V1"
_cell_length_a 9.00457005
_cell_length_b 9.004570050000002
_cell_length_c 9.00456959
_cell_angle_alpha 108.85703769
_cell_angle_beta 108.85703769
_cell_angle_gamma 108.85703914999999
_... | data_image0
_chemical_formula_structural Mg16Al12VW
_chemical_formula_sum "Mg16 Al12 V1 W1"
_cell_length_a 9.00457005
_cell_length_b 9.004570050000002
_cell_length_c 9.00456959
_cell_angle_alpha 108.85703769
_cell_angle_beta 108.85703769
_cell_angle_gamma 108.8570391499999... |
InsertBetweenAtomsAction | 7229b02c-4f03-4911-abe4-27fc00861d44 | mp-1212246 | Insert a Zn atom in the line between atoms at indices 10 and 12, and the inserted atom must be 2.61 angstrom from atom at 10 in the cif file. | data_image0
_chemical_formula_structural Ho10In8Pt4
_chemical_formula_sum "Ho10 In8 Pt4"
_cell_length_a 3.60929981
_cell_length_b 8.03796694
_cell_length_c 18.09545145
_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 Ho10In8Pt4Zn
_chemical_formula_sum "Ho10 In8 Pt4 Zn1"
_cell_length_a 3.60929981
_cell_length_b 8.03796694
_cell_length_c 18.09545145
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... |
InsertBetweenAtomsAction | 79e9017e-64bb-45b2-97d8-f6294b78055c | mp-1567262 | Insert a Bk atom in the line between atoms at indices 0 and 21, and the inserted atom must be 2.65 angstrom from atom at 0 in the cif file. | data_image0
_chemical_formula_structural Li4Mn4Sb2O12
_chemical_formula_sum "Li4 Mn4 Sb2 O12"
_cell_length_a 5.35664327
_cell_length_b 10.29296225
_cell_length_c 5.35654319
_cell_angle_alpha 90.01538012
_cell_angle_beta 117.52396316000001
_cell_angle_gamma 90.0107835499999... | data_image0
_chemical_formula_structural Li4Mn4Sb2O12Bk
_chemical_formula_sum "Li4 Mn4 Sb2 O12 Bk1"
_cell_length_a 5.35664327
_cell_length_b 10.29296225
_cell_length_c 5.35654319
_cell_angle_alpha 90.01538012
_cell_angle_beta 117.52396316000001
_cell_angle_gamma 90.0107835... |
InsertBetweenAtomsAction | 80e87ee2-0090-4b8b-9218-e90c477dc962 | mp-26157 | Insert a Sm atom in the line between atoms at indices 66 and 67, and the inserted atom must be 6.75 angstrom from atom at 66 in the cif file. | data_image0
_chemical_formula_structural Li4Sb4P16O48
_chemical_formula_sum "Li4 Sb4 P16 O48"
_cell_length_a 9.35226
_cell_length_b 10.356422
_cell_length_c 12.580853009999998
_cell_angle_alpha 55.11360417
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M... | data_image0
_chemical_formula_structural Li4Sb4P16O48Sm
_chemical_formula_sum "Li4 Sb4 P16 O48 Sm1"
_cell_length_a 9.35226
_cell_length_b 10.356422
_cell_length_c 12.580853009999998
_cell_angle_alpha 55.11360417
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_na... |
InsertBetweenAtomsAction | aac7ed3f-f040-407c-bc81-d9d10338b4c0 | mp-8876 | Insert a Np atom in the line between atoms at indices 22 and 15, and the inserted atom must be 1.21 angstrom from atom at 22 in the cif file. | data_image0
_chemical_formula_structural Ca4Al6SO12
_chemical_formula_sum "Ca4 Al6 S1 O12"
_cell_length_a 7.87792826
_cell_length_b 7.87792826
_cell_length_c 7.87792826
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_space_grou... | data_image0
_chemical_formula_structural Ca4Al6SO12Np
_chemical_formula_sum "Ca4 Al6 S1 O12 Np1"
_cell_length_a 7.87792826
_cell_length_b 7.87792826
_cell_length_c 7.87792826
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_spac... |
InsertBetweenAtomsAction | 0ab8200e-d21d-47f3-9c9a-a902a431d0a1 | mp-1276479 | Insert a Ra atom in the line between atoms at indices 23 and 19, and the inserted atom must be 2.25 angstrom from atom at 23 in the cif file. | data_image0
_chemical_formula_structural Na2Ni10O12
_chemical_formula_sum "Na2 Ni10 O12"
_cell_length_a 5.18668659
_cell_length_b 5.186747049999999
_cell_length_c 9.91314397
_cell_angle_alpha 94.55001394
_cell_angle_beta 94.54833658
_cell_angle_gamma 119.34237754000002
_s... | data_image0
_chemical_formula_structural Na2Ni10O12Ra
_chemical_formula_sum "Na2 Ni10 O12 Ra1"
_cell_length_a 5.18668659
_cell_length_b 5.186747049999999
_cell_length_c 9.91314397
_cell_angle_alpha 94.55001394
_cell_angle_beta 94.54833658
_cell_angle_gamma 119.342377540000... |
InsertBetweenAtomsAction | 6dd37275-a053-4a3e-9552-ca75188598f5 | mp-23662 | Insert a Ti atom in the line between atoms at indices 34 and 5, and the inserted atom must be 2.47 angstrom from atom at 34 in the cif file. | data_image0
_chemical_formula_structural Li8B8H32O32
_chemical_formula_sum "Li8 B8 H32 O32"
_cell_length_a 7.844409
_cell_length_b 8.634831
_cell_length_c 9.266105
_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 Li8B8H32O32Ti
_chemical_formula_sum "Li8 B8 H32 O32 Ti1"
_cell_length_a 7.844409
_cell_length_b 8.634831
_cell_length_c 9.266105
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... |
InsertBetweenAtomsAction | fdbf6db9-5030-4930-b1af-6692f79d3a7c | mp-29127 | Insert a Rb atom in the line between atoms at indices 0 and 5, and the inserted atom must be 1.46 angstrom from atom at 0 in the cif file. | data_image0
_chemical_formula_structural Bi2Te4Br8
_chemical_formula_sum "Bi2 Te4 Br8"
_cell_length_a 7.514459
_cell_length_b 8.04406023
_cell_length_c 9.36347189
_cell_angle_alpha 91.57138378999998
_cell_angle_beta 102.75868788
_cell_angle_gamma 94.76176305
_space_group_... | data_image0
_chemical_formula_structural Bi2Te4Br8Rb
_chemical_formula_sum "Bi2 Te4 Br8 Rb1"
_cell_length_a 7.514459
_cell_length_b 8.04406023
_cell_length_c 9.36347189
_cell_angle_alpha 91.57138378999998
_cell_angle_beta 102.75868788
_cell_angle_gamma 94.76176305
_space_... |
InsertBetweenAtomsAction | 6dd0ecc0-21fd-47de-bf60-6796695fd0bc | mp-1219592 | Insert a Cs atom in the line between atoms at indices 13 and 8, and the inserted atom must be 3.32 angstrom from atom at 13 in the cif file. | data_image0
_chemical_formula_structural Sb8Cl2O11
_chemical_formula_sum "Sb8 Cl2 O11"
_cell_length_a 4.215232
_cell_length_b 9.16309455
_cell_length_c 11.47414414
_cell_angle_alpha 82.3210295
_cell_angle_beta 86.84209477
_cell_angle_gamma 79.9924929
_space_group_name_H-M... | data_image0
_chemical_formula_structural Sb8Cl2O11Cs
_chemical_formula_sum "Sb8 Cl2 O11 Cs1"
_cell_length_a 4.215232
_cell_length_b 9.16309455
_cell_length_c 11.47414414
_cell_angle_alpha 82.3210295
_cell_angle_beta 86.84209477
_cell_angle_gamma 79.9924929
_space_group_na... |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.