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 | 1ad86d7e-c8d1-4764-abfc-03a33a4631d2 | mp-780431 | Insert a Co atom in the line between atoms at indices 43 and 42, and the inserted atom must be 7.82 angstrom from atom at 43 in the cif file. | data_image0
_chemical_formula_structural Li8Fe8P8H16O40
_chemical_formula_sum "Li8 Fe8 P8 H16 O40"
_cell_length_a 5.156879
_cell_length_b 10.022673
_cell_length_c 16.99323
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Li8Fe8P8H16O40Co
_chemical_formula_sum "Li8 Fe8 P8 H16 O40 Co1"
_cell_length_a 5.156879
_cell_length_b 10.022673
_cell_length_c 16.99323
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | c78b667b-e129-4869-a9d0-3357d80fbcd6 | mp-1225649 | Insert a Os atom in the line between atoms at indices 4 and 11, and the inserted atom must be 6.67 angstrom from atom at 4 in the cif file. | data_image0
_chemical_formula_structural Er4Al4Fe4
_chemical_formula_sum "Er4 Al4 Fe4"
_cell_length_a 5.31253061
_cell_length_b 5.31253061
_cell_length_c 8.71620123
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.32671753999999
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Er4Al4Fe4Os
_chemical_formula_sum "Er4 Al4 Fe4 Os1"
_cell_length_a 5.31253061
_cell_length_b 5.31253061
_cell_length_c 8.71620123
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.32671753999999
_space_group_name_H... |
InsertBetweenAtomsAction | aa434a2f-f14e-4c9f-878c-9dc230906f63 | mp-1306670 | Insert a Tc atom in the line between atoms at indices 28 and 16, and the inserted atom must be 2.64 angstrom from atom at 28 in the cif file. | data_image0
_chemical_formula_structural Li6Ti2Ni6O16
_chemical_formula_sum "Li6 Ti2 Ni6 O16"
_cell_length_a 5.8156342
_cell_length_b 5.870601
_cell_length_c 10.035355149999997
_cell_angle_alpha 88.64157279999999
_cell_angle_beta 106.33273585
_cell_angle_gamma 118.96438166... | data_image0
_chemical_formula_structural Li6Ti2Ni6O16Tc
_chemical_formula_sum "Li6 Ti2 Ni6 O16 Tc1"
_cell_length_a 5.8156342
_cell_length_b 5.870601
_cell_length_c 10.035355149999997
_cell_angle_alpha 88.64157279999999
_cell_angle_beta 106.33273585
_cell_angle_gamma 118.96... |
InsertBetweenAtomsAction | f56a78f6-18e5-4038-856c-d8323aedf1e0 | mp-1027965 | Insert a Rb atom in the line between atoms at indices 4 and 7, and the inserted atom must be 0.73 angstrom from atom at 4 in the cif file. | data_image0
_chemical_formula_structural YMg14Ga
_chemical_formula_sum "Y1 Mg14 Ga1"
_cell_length_a 6.4783171
_cell_length_b 6.2636730499999995
_cell_length_c 10.37809344
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 118.90990617
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural YMg14GaRb
_chemical_formula_sum "Y1 Mg14 Ga1 Rb1"
_cell_length_a 6.4783171
_cell_length_b 6.2636730499999995
_cell_length_c 10.37809344
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 118.90990617
_space_group_name_H... |
InsertBetweenAtomsAction | cd6173b5-712d-4ac5-9935-82883d84c34e | mp-29778 | Insert a Ho atom in the line between atoms at indices 0 and 5, and the inserted atom must be 3.04 angstrom from atom at 0 in the cif file. | data_image0
_chemical_formula_structural Nd8Ge14
_chemical_formula_sum "Nd8 Ge14"
_cell_length_a 6.03140039
_cell_length_b 7.60319809
_cell_length_c 12.06374994
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 113.36803510000001
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Nd8Ge14Ho
_chemical_formula_sum "Nd8 Ge14 Ho1"
_cell_length_a 6.03140039
_cell_length_b 7.60319809
_cell_length_c 12.06374994
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 113.36803510000001
_space_group_name_H-M_a... |
InsertBetweenAtomsAction | 5168921e-1542-4e59-8bd4-9f739f73b47a | mp-762220 | Insert a Cl atom in the line between atoms at indices 33 and 53, and the inserted atom must be 2.27 angstrom from atom at 33 in the cif file. | data_image0
_chemical_formula_structural Li8Cu8P8O32
_chemical_formula_sum "Li8 Cu8 P8 O32"
_cell_length_a 5.471277
_cell_length_b 7.589947
_cell_length_c 15.418015
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... | data_image0
_chemical_formula_structural Li8Cu8P8O32Cl
_chemical_formula_sum "Li8 Cu8 P8 O32 Cl1"
_cell_length_a 5.471277
_cell_length_b 7.589947
_cell_length_c 15.418015
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
InsertBetweenAtomsAction | bcd3b413-4624-4de4-b873-1c40b3c96cd5 | mp-530303 | Insert a F atom in the line between atoms at indices 26 and 36, and the inserted atom must be 3.90 angstrom from atom at 26 in the cif file. | data_image0
_chemical_formula_structural Mg8Ga16O32
_chemical_formula_sum "Mg8 Ga16 O32"
_cell_length_a 5.93530032
_cell_length_b 5.93530032
_cell_length_c 19.652703019999997
_cell_angle_alpha 81.47070874
_cell_angle_beta 81.47070874
_cell_angle_gamma 60.480380989999986
_... | data_image0
_chemical_formula_structural Mg8Ga16O32F
_chemical_formula_sum "Mg8 Ga16 O32 F1"
_cell_length_a 5.93530032
_cell_length_b 5.93530032
_cell_length_c 19.652703019999997
_cell_angle_alpha 81.47070874
_cell_angle_beta 81.47070874
_cell_angle_gamma 60.48038098999998... |
InsertBetweenAtomsAction | e487e6b3-3844-4356-9808-12660294bde5 | mp-39647 | Insert a Rh atom in the line between atoms at indices 18 and 15, and the inserted atom must be 1.04 angstrom from atom at 18 in the cif file. | data_image0
_chemical_formula_structural Na6Al4FeSi8O26
_chemical_formula_sum "Na6 Al4 Fe1 Si8 O26"
_cell_length_a 8.60414738
_cell_length_b 8.60414738
_cell_length_c 10.59008016
_cell_angle_alpha 68.95860384
_cell_angle_beta 68.95860384
_cell_angle_gamma 56.18613096
_spa... | data_image0
_chemical_formula_structural Na6Al4FeSi8O26Rh
_chemical_formula_sum "Na6 Al4 Fe1 Si8 O26 Rh1"
_cell_length_a 8.60414738
_cell_length_b 8.60414738
_cell_length_c 10.59008016
_cell_angle_alpha 68.95860384
_cell_angle_beta 68.95860384
_cell_angle_gamma 56.18613096... |
InsertBetweenAtomsAction | 31254848-2466-4540-97ec-bb2da2faf53c | mp-1193985 | Insert a Sr atom in the line between atoms at indices 28 and 13, and the inserted atom must be 1.60 angstrom from atom at 28 in the cif file. | data_image0
_chemical_formula_structural Ta2Co21B6
_chemical_formula_sum "Ta2 Co21 B6"
_cell_length_a 7.42278272
_cell_length_b 7.42278272
_cell_length_c 7.42278272
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
... | data_image0
_chemical_formula_structural Ta2Co21B6Sr
_chemical_formula_sum "Ta2 Co21 B6 Sr1"
_cell_length_a 7.42278272
_cell_length_b 7.42278272
_cell_length_c 7.42278272
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999999999... |
InsertBetweenAtomsAction | 49491d73-b7ed-416c-9aa8-6aaec369899e | mp-770417 | Insert a Ds atom in the line between atoms at indices 6 and 8, and the inserted atom must be 5.84 angstrom from atom at 6 in the cif file. | data_image0
_chemical_formula_structural Li4Mn2VNi3P6O24
_chemical_formula_sum "Li4 Mn2 V1 Ni3 P6 O24"
_cell_length_a 8.47454817
_cell_length_b 8.82226272
_cell_length_c 8.80750627
_cell_angle_alpha 60.09155733000001
_cell_angle_beta 59.35909993
_cell_angle_gamma 59.477256... | data_image0
_chemical_formula_structural Li4Mn2VNi3P6O24Ds
_chemical_formula_sum "Li4 Mn2 V1 Ni3 P6 O24 Ds1"
_cell_length_a 8.47454817
_cell_length_b 8.82226272
_cell_length_c 8.80750627
_cell_angle_alpha 60.09155733000001
_cell_angle_beta 59.35909993
_cell_angle_gamma 59.... |
InsertBetweenAtomsAction | 53f27fff-46ca-4bd9-8982-caa87ffa8a94 | mp-1037998 | Insert a P atom in the line between atoms at indices 57 and 39, and the inserted atom must be 2.06 angstrom from atom at 57 in the cif file. | data_image0
_chemical_formula_structural Mg30AlCdO32
_chemical_formula_sum "Mg30 Al1 Cd1 O32"
_cell_length_a 8.577996
_cell_length_b 8.577996
_cell_length_c 8.569637
_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 Mg30AlCdO32P
_chemical_formula_sum "Mg30 Al1 Cd1 O32 P1"
_cell_length_a 8.577996
_cell_length_b 8.577996
_cell_length_c 8.569637
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... |
InsertBetweenAtomsAction | d4f5aa6b-7aa5-45cc-9722-9899d82a3837 | mp-678 | Insert a V atom in the line between atoms at indices 29 and 28, and the inserted atom must be 1.17 angstrom from atom at 29 in the cif file. | data_image0
_chemical_formula_structural Mg54Ag17
_chemical_formula_sum "Mg54 Ag17"
_cell_length_a 12.44401349
_cell_length_b 12.4440135
_cell_length_c 12.4440135
_cell_angle_alpha 107.636966
_cell_angle_beta 110.18673898
_cell_angle_gamma 110.60566619
_space_group_name_H... | data_image0
_chemical_formula_structural Mg54Ag17V
_chemical_formula_sum "Mg54 Ag17 V1"
_cell_length_a 12.44401349
_cell_length_b 12.4440135
_cell_length_c 12.4440135
_cell_angle_alpha 107.636966
_cell_angle_beta 110.18673898
_cell_angle_gamma 110.60566619
_space_group_na... |
InsertBetweenAtomsAction | 78c12047-55b8-40c3-bec9-39fbc829b412 | mp-1213937 | Insert a Tc atom in the line between atoms at indices 10 and 25, and the inserted atom must be 1.43 angstrom from atom at 10 in the cif file. | data_image0
_chemical_formula_structural Cr10Cu2Ge4O24
_chemical_formula_sum "Cr10 Cu2 Ge4 O24"
_cell_length_a 9.61180683
_cell_length_b 9.61180683
_cell_length_c 6.050288
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 127.79372469000002
_space_group_name_... | data_image0
_chemical_formula_structural Cr10Cu2Ge4O24Tc
_chemical_formula_sum "Cr10 Cu2 Ge4 O24 Tc1"
_cell_length_a 9.61180683
_cell_length_b 9.61180683
_cell_length_c 6.050288
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 127.79372469000002
_space_group... |
InsertBetweenAtomsAction | e88b76cc-c28f-4fdb-b0a6-5182d14ce686 | mp-758795 | Insert a Li atom in the line between atoms at indices 58 and 6, and the inserted atom must be 6.44 angstrom from atom at 58 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 Li8Fe8Si12O36Li
_chemical_formula_sum "Li9 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_al... |
InsertBetweenAtomsAction | dbbb62c8-926e-42f2-a48b-a5dfa2be6436 | mp-555583 | Insert a At atom in the line between atoms at indices 23 and 40, and the inserted atom must be 42.98 angstrom from atom at 23 in the cif file. | data_image0
_chemical_formula_structural Zn24S24
_chemical_formula_sum "Zn24 S24"
_cell_length_a 3.80915336
_cell_length_b 3.80915303
_cell_length_c 74.7500874
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000291
_space_group_name_H-M_alt "P 1"
_... | data_image0
_chemical_formula_structural Zn24S24At
_chemical_formula_sum "Zn24 S24 At1"
_cell_length_a 3.80915336
_cell_length_b 3.80915303
_cell_length_c 74.7500874
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000291
_space_group_name_H-M_alt "... |
InsertBetweenAtomsAction | fffece09-c6e4-4770-8a20-ce866f9ac284 | mp-1203661 | Insert a Te atom in the line between atoms at indices 24 and 41, and the inserted atom must be 1.94 angstrom from atom at 24 in the cif file. | data_image0
_chemical_formula_structural K5Rb10Cr5F30
_chemical_formula_sum "K5 Rb10 Cr5 F30"
_cell_length_a 8.85048792
_cell_length_b 10.61210768
_cell_length_c 10.61210768
_cell_angle_alpha 79.98600918999999
_cell_angle_beta 65.35469727
_cell_angle_gamma 65.35469727
_sp... | data_image0
_chemical_formula_structural K5Rb10Cr5F30Te
_chemical_formula_sum "K5 Rb10 Cr5 F30 Te1"
_cell_length_a 8.85048792
_cell_length_b 10.61210768
_cell_length_c 10.61210768
_cell_angle_alpha 79.98600918999999
_cell_angle_beta 65.35469727
_cell_angle_gamma 65.3546972... |
InsertBetweenAtomsAction | db7c4de7-1b1b-494c-aace-28fe317f45fe | mp-554453 | Insert a Np atom in the line between atoms at indices 37 and 56, and the inserted atom must be 2.50 angstrom from atom at 37 in the cif file. | data_image0
_chemical_formula_structural Cr12P12O42
_chemical_formula_sum "Cr12 P12 O42"
_cell_length_a 10.93144818
_cell_length_b 10.93144818
_cell_length_c 9.27815383
_cell_angle_alpha 84.24817085999999
_cell_angle_beta 84.24817085999999
_cell_angle_gamma 45.026736099999... | data_image0
_chemical_formula_structural Cr12P12O42Np
_chemical_formula_sum "Cr12 P12 O42 Np1"
_cell_length_a 10.93144818
_cell_length_b 10.93144818
_cell_length_c 9.27815383
_cell_angle_alpha 84.24817085999999
_cell_angle_beta 84.24817085999999
_cell_angle_gamma 45.026736... |
InsertBetweenAtomsAction | cbf9c4ff-a80c-4476-b566-2595fc6d5c65 | mp-1095566 | Insert a Au atom in the line between atoms at indices 5 and 6, and the inserted atom must be 0.72 angstrom from atom at 5 in the cif file. | data_image0
_chemical_formula_structural La2Co8B2
_chemical_formula_sum "La2 Co8 B2"
_cell_length_a 5.12253573
_cell_length_b 5.12253573
_cell_length_c 6.833887
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999656000001
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural La2Co8B2Au
_chemical_formula_sum "La2 Co8 B2 Au1"
_cell_length_a 5.12253573
_cell_length_b 5.12253573
_cell_length_c 6.833887
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999656000001
_space_group_name_H-M_a... |
InsertBetweenAtomsAction | fb104f09-1edc-4124-b398-15fb54700c88 | mp-769018 | Insert a Np atom in the line between atoms at indices 36 and 12, and the inserted atom must be 6.23 angstrom from atom at 36 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 Li4Fe8S12O48Np
_chemical_formula_sum "Li4 Fe8 S12 O48 Np1"
_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 | a84175fd-65cc-48f3-80f4-fc5cf75db1e0 | mp-1247260 | Insert a Ga atom in the line between atoms at indices 1 and 34, and the inserted atom must be 5.38 angstrom from atom at 1 in the cif file. | data_image0
_chemical_formula_structural Ga16Te12N8
_chemical_formula_sum "Ga16 Te12 N8"
_cell_length_a 6.373513
_cell_length_b 11.340364
_cell_length_c 11.995175
_cell_angle_alpha 90.00001488
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... | data_image0
_chemical_formula_structural Ga16Te12N8Ga
_chemical_formula_sum "Ga17 Te12 N8"
_cell_length_a 6.373513
_cell_length_b 11.340364
_cell_length_c 11.995175
_cell_angle_alpha 90.00001488
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
InsertBetweenAtomsAction | adb7e8b7-6606-49ba-a766-5e2843c8accf | mp-1194093 | Insert a Fe atom in the line between atoms at indices 22 and 2, and the inserted atom must be 0.73 angstrom from atom at 22 in the cif file. | data_image0
_chemical_formula_structural H16PtC4N2Cl6
_chemical_formula_sum "H16 Pt1 C4 N2 Cl6"
_cell_length_a 7.357655
_cell_length_b 8.669492
_cell_length_c 8.669492
_cell_angle_alpha 73.89866996
_cell_angle_beta 64.89099021
_cell_angle_gamma 64.89099021
_space_group_na... | data_image0
_chemical_formula_structural H16PtC4N2Cl6Fe
_chemical_formula_sum "H16 Pt1 C4 N2 Cl6 Fe1"
_cell_length_a 7.357655
_cell_length_b 8.669492
_cell_length_c 8.669492
_cell_angle_alpha 73.89866996
_cell_angle_beta 64.89099021
_cell_angle_gamma 64.89099021
_space_gr... |
InsertBetweenAtomsAction | dc6be634-1007-4d1c-a791-3938088f4df9 | mp-23390 | Insert a Es atom in the line between atoms at indices 0 and 2, and the inserted atom must be 0.95 angstrom from atom at 0 in the cif file. | data_image0
_chemical_formula_structural Rb4Cd4Cl12
_chemical_formula_sum "Rb4 Cd4 Cl12"
_cell_length_a 4.05372776
_cell_length_b 9.04405641
_cell_length_c 15.05258048
_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 Rb4Cd4Cl12Es
_chemical_formula_sum "Rb4 Cd4 Cl12 Es1"
_cell_length_a 4.05372776
_cell_length_b 9.04405641
_cell_length_c 15.05258048
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... |
InsertBetweenAtomsAction | 98cc33b1-1cfe-4432-889a-df9d1416e617 | mp-769928 | Insert a Er atom in the line between atoms at indices 10 and 0, and the inserted atom must be 3.86 angstrom from atom at 10 in the cif file. | data_image0
_chemical_formula_structural Li4NbV3O8
_chemical_formula_sum "Li4 Nb1 V3 O8"
_cell_length_a 10.57866778
_cell_length_b 10.59538098
_cell_length_c 14.99564377
_cell_angle_alpha 19.144615920000003
_cell_angle_beta 19.151666330000012
_cell_angle_gamma 33.044523140... | data_image0
_chemical_formula_structural Li4NbV3O8Er
_chemical_formula_sum "Li4 Nb1 V3 O8 Er1"
_cell_length_a 10.57866778
_cell_length_b 10.59538098
_cell_length_c 14.99564377
_cell_angle_alpha 19.144615920000003
_cell_angle_beta 19.151666330000012
_cell_angle_gamma 33.044... |
InsertBetweenAtomsAction | 4f8565cf-f39c-4186-a8c3-0b83059ff408 | mp-1027074 | Insert a Sg atom in the line between atoms at indices 2 and 11, and the inserted atom must be 3.01 angstrom from atom at 2 in the cif file. | data_image0
_chemical_formula_structural Te4Mo2W2Se2S2
_chemical_formula_sum "Te4 Mo2 W2 Se2 S2"
_cell_length_a 3.39790831
_cell_length_b 3.3979083100000005
_cell_length_c 38.813791
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000594
_space_group_n... | data_image0
_chemical_formula_structural Te4Mo2W2Se2S2Sg
_chemical_formula_sum "Te4 Mo2 W2 Se2 S2 Sg1"
_cell_length_a 3.39790831
_cell_length_b 3.3979083100000005
_cell_length_c 38.813791
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000594
_space_g... |
InsertBetweenAtomsAction | d42a17bb-3770-40eb-a396-32813f4b1221 | mp-30823 | Insert a Am atom in the line between atoms at indices 5 and 12, and the inserted atom must be 7.09 angstrom from atom at 5 in the cif file. | data_image0
_chemical_formula_structural Pu10Os6
_chemical_formula_sum "Pu10 Os6"
_cell_length_a 8.23288286
_cell_length_b 8.23288286
_cell_length_c 8.23288286
_cell_angle_alpha 96.50346547
_cell_angle_beta 96.50346547
_cell_angle_gamma 140.66682847
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Pu10Os6Am
_chemical_formula_sum "Pu10 Os6 Am1"
_cell_length_a 8.23288286
_cell_length_b 8.23288286
_cell_length_c 8.23288286
_cell_angle_alpha 96.50346547
_cell_angle_beta 96.50346547
_cell_angle_gamma 140.66682847
_space_group_nam... |
InsertBetweenAtomsAction | 25fe4248-1756-4e2e-8e76-e32328cc5398 | mp-1853 | Insert a Cf atom in the line between atoms at indices 29 and 6, and the inserted atom must be 3.84 angstrom from atom at 29 in the cif file. | data_image0
_chemical_formula_structural Sr6P28
_chemical_formula_sum "Sr6 P28"
_cell_length_a 6.36835152
_cell_length_b 9.92603614
_cell_length_c 12.8016994
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 89.80179759
_space_group_name_H-M_alt "P 1"
_spa... | data_image0
_chemical_formula_structural Sr6P28Cf
_chemical_formula_sum "Sr6 P28 Cf1"
_cell_length_a 6.36835152
_cell_length_b 9.92603614
_cell_length_c 12.8016994
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 89.80179759
_space_group_name_H-M_alt "P 1... |
InsertBetweenAtomsAction | 698bc945-f4bd-4e8b-b2ac-857062596766 | mp-636519 | Insert a Db atom in the line between atoms at indices 1 and 6, and the inserted atom must be 1.62 angstrom from atom at 1 in the cif file. | data_image0
_chemical_formula_structural Ni2Rh4O8
_chemical_formula_sum "Ni2 Rh4 O8"
_cell_length_a 5.96787122
_cell_length_b 6.14836507
_cell_length_c 5.96791536
_cell_angle_alpha 119.02436597
_cell_angle_beta 90.00320417
_cell_angle_gamma 119.02240357
_space_group_name_... | data_image0
_chemical_formula_structural Ni2Rh4O8Db
_chemical_formula_sum "Ni2 Rh4 O8 Db1"
_cell_length_a 5.96787122
_cell_length_b 6.14836507
_cell_length_c 5.96791536
_cell_angle_alpha 119.02436597
_cell_angle_beta 90.00320417
_cell_angle_gamma 119.02240357
_space_group... |
InsertBetweenAtomsAction | 5c714909-9f9e-408f-a3ea-903ae21f0825 | mp-1217721 | Insert a Te atom in the line between atoms at indices 2 and 16, and the inserted atom must be 1.62 angstrom from atom at 2 in the cif file. | data_image0
_chemical_formula_structural Tb6Al8Fe4
_chemical_formula_sum "Tb6 Al8 Fe4"
_cell_length_a 5.41548454
_cell_length_b 5.42113991
_cell_length_c 13.43452047
_cell_angle_alpha 90.33912397
_cell_angle_beta 89.20829155000001
_cell_angle_gamma 119.18295097
_space_gro... | data_image0
_chemical_formula_structural Tb6Al8Fe4Te
_chemical_formula_sum "Tb6 Al8 Fe4 Te1"
_cell_length_a 5.41548454
_cell_length_b 5.42113991
_cell_length_c 13.43452047
_cell_angle_alpha 90.33912397
_cell_angle_beta 89.20829155000001
_cell_angle_gamma 119.18295097
_spa... |
InsertBetweenAtomsAction | 65641a10-dab5-4047-821d-8e724d4f0362 | mp-1016278 | Insert a Au atom in the line between atoms at indices 0 and 13, and the inserted atom must be 2.47 angstrom from atom at 0 in the cif file. | data_image0
_chemical_formula_structural Ba2Sr2Mg12
_chemical_formula_sum "Ba2 Sr2 Mg12"
_cell_length_a 5.385899
_cell_length_b 7.274363
_cell_length_c 12.831551
_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 Ba2Sr2Mg12Au
_chemical_formula_sum "Ba2 Sr2 Mg12 Au1"
_cell_length_a 5.385899
_cell_length_b 7.274363
_cell_length_c 12.831551
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
InsertBetweenAtomsAction | 89419a32-4322-47ad-a3ce-ff8cc6da9c38 | mp-627575 | Insert a Cu atom in the line between atoms at indices 10 and 20, and the inserted atom must be 6.24 angstrom from atom at 10 in the cif file. | data_image0
_chemical_formula_structural K4Zr6CBr18
_chemical_formula_sum "K4 Zr6 C1 Br18"
_cell_length_a 10.24659448
_cell_length_b 10.41837033
_cell_length_c 10.51199309
_cell_angle_alpha 118.51662427
_cell_angle_beta 100.16129462
_cell_angle_gamma 103.98655482
_space_g... | data_image0
_chemical_formula_structural K4Zr6CBr18Cu
_chemical_formula_sum "K4 Zr6 C1 Br18 Cu1"
_cell_length_a 10.24659448
_cell_length_b 10.41837033
_cell_length_c 10.51199309
_cell_angle_alpha 118.51662427
_cell_angle_beta 100.16129462
_cell_angle_gamma 103.98655482
_s... |
InsertBetweenAtomsAction | d0a5df06-8f42-4224-9292-a98331b0c8ec | mp-1045731 | Insert a Fm atom in the line between atoms at indices 68 and 16, and the inserted atom must be 4.98 angstrom from atom at 68 in the cif file. | data_image0
_chemical_formula_structural Ca8Sb8As16Se8O56
_chemical_formula_sum "Ca8 Sb8 As16 Se8 O56"
_cell_length_a 11.04231938
_cell_length_b 13.262266809999998
_cell_length_c 13.259987380000002
_cell_angle_alpha 80.0333665
_cell_angle_beta 65.41174568
_cell_angle_gamma ... | data_image0
_chemical_formula_structural Ca8Sb8As16Se8O56Fm
_chemical_formula_sum "Ca8 Sb8 As16 Se8 O56 Fm1"
_cell_length_a 11.04231938
_cell_length_b 13.262266809999998
_cell_length_c 13.259987380000002
_cell_angle_alpha 80.0333665
_cell_angle_beta 65.41174568
_cell_angle_ga... |
InsertBetweenAtomsAction | dc6552af-660c-46cd-926e-8cbc3e790d31 | mp-766011 | Insert a Y atom in the line between atoms at indices 12 and 6, and the inserted atom must be 2.12 angstrom from atom at 12 in the cif file. | data_image0
_chemical_formula_structural Li3VCrP2H2O10
_chemical_formula_sum "Li3 V1 Cr1 P2 H2 O10"
_cell_length_a 5.22824342
_cell_length_b 5.576221759999999
_cell_length_c 7.56144685
_cell_angle_alpha 108.83346223000001
_cell_angle_beta 109.69480763
_cell_angle_gamma 94.... | data_image0
_chemical_formula_structural Li3VCrP2H2O10Y
_chemical_formula_sum "Li3 V1 Cr1 P2 H2 O10 Y1"
_cell_length_a 5.22824342
_cell_length_b 5.576221759999999
_cell_length_c 7.56144685
_cell_angle_alpha 108.83346223000001
_cell_angle_beta 109.69480763
_cell_angle_gamma ... |
InsertBetweenAtomsAction | 776567c2-e20f-4d86-8a6e-6d78553fba03 | mp-557500 | Insert a Tm atom in the line between atoms at indices 9 and 7, and the inserted atom must be 1.59 angstrom from atom at 9 in the cif file. | data_image0
_chemical_formula_structural LiNiP2S6
_chemical_formula_sum "Li1 Ni1 P2 S6"
_cell_length_a 5.89583925
_cell_length_b 5.89583925
_cell_length_c 6.96370041
_cell_angle_alpha 82.41561003
_cell_angle_beta 82.41561003
_cell_angle_gamma 120.34450382000001
_space_gro... | data_image0
_chemical_formula_structural LiNiP2S6Tm
_chemical_formula_sum "Li1 Ni1 P2 S6 Tm1"
_cell_length_a 5.89583925
_cell_length_b 5.89583925
_cell_length_c 6.96370041
_cell_angle_alpha 82.41561003
_cell_angle_beta 82.41561003
_cell_angle_gamma 120.34450382000001
_spa... |
InsertBetweenAtomsAction | 27fd211b-a235-4e0e-a688-f77f3a0afb6a | mp-2229628 | Insert a Am atom in the line between atoms at indices 4 and 12, and the inserted atom must be 3.19 angstrom from atom at 4 in the cif file. | data_image0
_chemical_formula_structural MgCo4OF11
_chemical_formula_sum "Mg1 Co4 O1 F11"
_cell_length_a 7.35809105
_cell_length_b 5.22556949
_cell_length_c 5.55298967
_cell_angle_alpha 89.62041699
_cell_angle_beta 94.15737183
_cell_angle_gamma 89.9231588
_space_group_nam... | data_image0
_chemical_formula_structural MgCo4OF11Am
_chemical_formula_sum "Mg1 Co4 O1 F11 Am1"
_cell_length_a 7.35809105
_cell_length_b 5.22556949
_cell_length_c 5.55298967
_cell_angle_alpha 89.62041699
_cell_angle_beta 94.15737183
_cell_angle_gamma 89.9231588
_space_gro... |
InsertBetweenAtomsAction | a1649911-83f4-47ea-b7fa-6e91027d6eed | mp-1213937 | Insert a Li atom in the line between atoms at indices 15 and 11, and the inserted atom must be 4.52 angstrom from atom at 15 in the cif file. | data_image0
_chemical_formula_structural Cr10Cu2Ge4O24
_chemical_formula_sum "Cr10 Cu2 Ge4 O24"
_cell_length_a 9.61180683
_cell_length_b 9.61180683
_cell_length_c 6.050288
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 127.79372469000002
_space_group_name_... | data_image0
_chemical_formula_structural Cr10Cu2Ge4O24Li
_chemical_formula_sum "Cr10 Cu2 Ge4 O24 Li1"
_cell_length_a 9.61180683
_cell_length_b 9.61180683
_cell_length_c 6.050288
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 127.79372469000002
_space_group... |
InsertBetweenAtomsAction | dcc6a049-1daf-46d7-8a58-af617397b2ac | mp-755986 | Insert a Th atom in the line between atoms at indices 19 and 6, and the inserted atom must be 6.88 angstrom from atom at 19 in the cif file. | data_image0
_chemical_formula_structural Li4Nb2Cr6O16
_chemical_formula_sum "Li4 Nb2 Cr6 O16"
_cell_length_a 6.0295925
_cell_length_b 6.05194869
_cell_length_c 10.40976803
_cell_angle_alpha 106.70751515
_cell_angle_beta 90.00068047
_cell_angle_gamma 60.12215707999999
_spa... | data_image0
_chemical_formula_structural Li4Nb2Cr6O16Th
_chemical_formula_sum "Li4 Nb2 Cr6 O16 Th1"
_cell_length_a 6.0295925
_cell_length_b 6.05194869
_cell_length_c 10.40976803
_cell_angle_alpha 106.70751515
_cell_angle_beta 90.00068047
_cell_angle_gamma 60.12215707999999... |
InsertBetweenAtomsAction | 8de1d408-01e5-42bc-b495-011ce02e06b6 | mp-2223616 | Insert a Sg atom in the line between atoms at indices 2 and 1, and the inserted atom must be 1.18 angstrom from atom at 2 in the cif file. | data_image0
_chemical_formula_structural MgCuH4O2F2
_chemical_formula_sum "Mg1 Cu1 H4 O2 F2"
_cell_length_a 3.24414608
_cell_length_b 6.20873788
_cell_length_c 6.208736580000001
_cell_angle_alpha 93.90489924999999
_cell_angle_beta 107.42928971
_cell_angle_gamma 107.4292979... | data_image0
_chemical_formula_structural MgCuH4O2F2Sg
_chemical_formula_sum "Mg1 Cu1 H4 O2 F2 Sg1"
_cell_length_a 3.24414608
_cell_length_b 6.20873788
_cell_length_c 6.208736580000001
_cell_angle_alpha 93.90489924999999
_cell_angle_beta 107.42928971
_cell_angle_gamma 107.4... |
InsertBetweenAtomsAction | 372c6d16-06d0-419e-9d5c-12b86e8750c2 | mp-1095566 | Insert a Ho atom in the line between atoms at indices 0 and 11, and the inserted atom must be 0.51 angstrom from atom at 0 in the cif file. | data_image0
_chemical_formula_structural La2Co8B2
_chemical_formula_sum "La2 Co8 B2"
_cell_length_a 5.12253573
_cell_length_b 5.12253573
_cell_length_c 6.833887
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999656000001
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural La2Co8B2Ho
_chemical_formula_sum "La2 Co8 B2 Ho1"
_cell_length_a 5.12253573
_cell_length_b 5.12253573
_cell_length_c 6.833887
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999656000001
_space_group_name_H-M_a... |
InsertBetweenAtomsAction | da55cafe-97c7-4248-b1aa-c315eed28dbf | mp-557006 | Insert a Db atom in the line between atoms at indices 14 and 10, and the inserted atom must be 1.87 angstrom from atom at 14 in the cif file. | data_image0
_chemical_formula_structural Na8Sb4S4O16F12
_chemical_formula_sum "Na8 Sb4 S4 O16 F12"
_cell_length_a 8.25681579
_cell_length_b 8.25681579
_cell_length_c 11.02966494
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 129.24259993
_space_group_name_... | data_image0
_chemical_formula_structural Na8Sb4S4O16F12Db
_chemical_formula_sum "Na8 Sb4 S4 O16 F12 Db1"
_cell_length_a 8.25681579
_cell_length_b 8.25681579
_cell_length_c 11.02966494
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 129.24259993
_space_group... |
InsertBetweenAtomsAction | 43d48507-9c00-476d-be0d-e62278fd936b | mp-1233200 | Insert a Bk atom in the line between atoms at indices 9 and 13, and the inserted atom must be 3.92 angstrom from atom at 9 in the cif file. | data_image0
_chemical_formula_structural MgMn6O4F8
_chemical_formula_sum "Mg1 Mn6 O4 F8"
_cell_length_a 5.30340774
_cell_length_b 8.03750096
_cell_length_c 5.67783079
_cell_angle_alpha 91.17807209
_cell_angle_beta 95.38871773
_cell_angle_gamma 84.53706938
_space_group_nam... | data_image0
_chemical_formula_structural MgMn6O4F8Bk
_chemical_formula_sum "Mg1 Mn6 O4 F8 Bk1"
_cell_length_a 5.30340774
_cell_length_b 8.03750096
_cell_length_c 5.67783079
_cell_angle_alpha 91.17807209
_cell_angle_beta 95.38871773
_cell_angle_gamma 84.53706938
_space_gro... |
InsertBetweenAtomsAction | 1297b10a-fe41-46a8-948b-44c73f0b998a | mp-1233358 | Insert a Sb atom in the line between atoms at indices 13 and 16, and the inserted atom must be 2.05 angstrom from atom at 13 in the cif file. | data_image0
_chemical_formula_structural CaV6O11F
_chemical_formula_sum "Ca1 V6 O11 F1"
_cell_length_a 4.61079484
_cell_length_b 4.734470019999999
_cell_length_c 10.72654479
_cell_angle_alpha 90.32530835
_cell_angle_beta 79.88642504
_cell_angle_gamma 87.87571552
_space_gr... | data_image0
_chemical_formula_structural CaV6O11FSb
_chemical_formula_sum "Ca1 V6 O11 F1 Sb1"
_cell_length_a 4.61079484
_cell_length_b 4.734470019999999
_cell_length_c 10.72654479
_cell_angle_alpha 90.32530835
_cell_angle_beta 79.88642504
_cell_angle_gamma 87.87571552
_sp... |
InsertBetweenAtomsAction | b5c5d5cb-09e6-46e4-acbb-591a92ca0edb | mp-1289597 | Insert a Sr atom in the line between atoms at indices 10 and 8, and the inserted atom must be 1.02 angstrom from atom at 10 in the cif file. | data_image0
_chemical_formula_structural Mn4B4O12
_chemical_formula_sum "Mn4 B4 O12"
_cell_length_a 4.68409486
_cell_length_b 5.45749631
_cell_length_c 7.34317133
_cell_angle_alpha 75.2461238
_cell_angle_beta 86.0185133
_cell_angle_gamma 87.58288049
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Mn4B4O12Sr
_chemical_formula_sum "Mn4 B4 O12 Sr1"
_cell_length_a 4.68409486
_cell_length_b 5.45749631
_cell_length_c 7.34317133
_cell_angle_alpha 75.2461238
_cell_angle_beta 86.0185133
_cell_angle_gamma 87.58288049
_space_group_nam... |
InsertBetweenAtomsAction | 9b6eb29f-3c34-4c8c-a631-0027dbd7b653 | mp-17822 | Insert a Bi atom in the line between atoms at indices 20 and 16, and the inserted atom must be 1.50 angstrom from atom at 20 in the cif file. | data_image0
_chemical_formula_structural Dy8Mo4O24
_chemical_formula_sum "Dy8 Mo4 O24"
_cell_length_a 9.85730477
_cell_length_b 9.857304769999999
_cell_length_c 5.34113972
_cell_angle_alpha 74.85744461
_cell_angle_beta 74.85744461
_cell_angle_gamma 67.9590639
_space_group... | data_image0
_chemical_formula_structural Dy8Mo4O24Bi
_chemical_formula_sum "Dy8 Mo4 O24 Bi1"
_cell_length_a 9.85730477
_cell_length_b 9.857304769999999
_cell_length_c 5.34113972
_cell_angle_alpha 74.85744461
_cell_angle_beta 74.85744461
_cell_angle_gamma 67.9590639
_space... |
InsertBetweenAtomsAction | bd3e6549-740a-46f2-90f8-f52320586fb9 | mp-1238837 | Insert a Na atom in the line between atoms at indices 27 and 34, and the inserted atom must be 2.25 angstrom from atom at 27 in the cif file. | data_image0
_chemical_formula_structural B24H24
_chemical_formula_sum "B24 H24"
_cell_length_a 7.11935317
_cell_length_b 7.11935317
_cell_length_c 10.82884391
_cell_angle_alpha 89.73188219
_cell_angle_beta 89.73188219
_cell_angle_gamma 117.91767792000002
_space_group_name... | data_image0
_chemical_formula_structural B24H24Na
_chemical_formula_sum "B24 H24 Na1"
_cell_length_a 7.11935317
_cell_length_b 7.11935317
_cell_length_c 10.82884391
_cell_angle_alpha 89.73188219
_cell_angle_beta 89.73188219
_cell_angle_gamma 117.91767792000002
_space_grou... |
InsertBetweenAtomsAction | e1d42334-0cbb-4b6c-a528-2e03183f5d95 | mp-557589 | Insert a Ts atom in the line between atoms at indices 46 and 13, and the inserted atom must be 3.73 angstrom from atom at 46 in the cif file. | data_image0
_chemical_formula_structural Tl4Zn4P12O36
_chemical_formula_sum "Tl4 Zn4 P12 O36"
_cell_length_a 5.225835
_cell_length_b 12.118744
_cell_length_c 13.154656
_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 Tl4Zn4P12O36Ts
_chemical_formula_sum "Tl4 Zn4 P12 O36 Ts1"
_cell_length_a 5.225835
_cell_length_b 12.118744
_cell_length_c 13.154656
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... |
InsertBetweenAtomsAction | a3dc2d04-499c-42d0-a4cb-938b716f2f97 | mp-1236223 | Insert a Og atom in the line between atoms at indices 10 and 4, and the inserted atom must be 2.65 angstrom from atom at 10 in the cif file. | data_image0
_chemical_formula_structural K4LiC2O6
_chemical_formula_sum "K4 Li1 C2 O6"
_cell_length_a 5.45322769
_cell_length_b 5.45322843
_cell_length_c 11.29581576
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000701000002
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural K4LiC2O6Og
_chemical_formula_sum "K4 Li1 C2 O6 Og1"
_cell_length_a 5.45322769
_cell_length_b 5.45322843
_cell_length_c 11.29581576
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000701000002
_space_group_name_... |
InsertBetweenAtomsAction | 0c4bdc36-740f-48ef-a341-a4f10b85091b | mp-1209288 | Insert a Es atom in the line between atoms at indices 1 and 8, and the inserted atom must be 3.75 angstrom from atom at 1 in the cif file. | data_image0
_chemical_formula_structural Pr4Te4As4
_chemical_formula_sum "Pr4 Te4 As4"
_cell_length_a 4.16353513
_cell_length_b 7.82507677
_cell_length_c 10.30957707
_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 Pr4Te4As4Es
_chemical_formula_sum "Pr4 Te4 As4 Es1"
_cell_length_a 4.16353513
_cell_length_b 7.82507677
_cell_length_c 10.30957707
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
InsertBetweenAtomsAction | 2d38bbdb-41fb-4acb-aa3d-a036b00c2769 | mp-1232387 | Insert a Ga atom in the line between atoms at indices 15 and 5, and the inserted atom must be 1.79 angstrom from atom at 15 in the cif file. | data_image0
_chemical_formula_structural Y8Mg4S16
_chemical_formula_sum "Y8 Mg4 S16"
_cell_length_a 7.962579
_cell_length_b 7.298803
_cell_length_c 11.468396
_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 Y8Mg4S16Ga
_chemical_formula_sum "Y8 Mg4 S16 Ga1"
_cell_length_a 7.962579
_cell_length_b 7.298803
_cell_length_c 11.468396
_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 | bce67a87-3c3c-46af-a980-2e1e43a56dfe | mp-1205713 | Insert a Ga atom in the line between atoms at indices 3 and 1, and the inserted atom must be 4.79 angstrom from atom at 3 in the cif file. | data_image0
_chemical_formula_structural Ba2YUO6
_chemical_formula_sum "Ba2 Y1 U1 O6"
_cell_length_a 6.2390294
_cell_length_b 6.2390294
_cell_length_c 6.2390294
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
_sp... | data_image0
_chemical_formula_structural Ba2YUO6Ga
_chemical_formula_sum "Ba2 Y1 U1 O6 Ga1"
_cell_length_a 6.2390294
_cell_length_b 6.2390294
_cell_length_c 6.2390294
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999999999999... |
InsertBetweenAtomsAction | 4225e026-89ee-4b94-bc73-01aa6ef0f065 | mp-780430 | Insert a Po atom in the line between atoms at indices 9 and 3, and the inserted atom must be 4.31 angstrom from atom at 9 in the cif file. | data_image0
_chemical_formula_structural V2Fe4P6O24
_chemical_formula_sum "V2 Fe4 P6 O24"
_cell_length_a 8.43947482
_cell_length_b 8.43947482
_cell_length_c 8.43947559
_cell_angle_alpha 61.69571962999999
_cell_angle_beta 61.69571962999999
_cell_angle_gamma 61.69572487
_sp... | data_image0
_chemical_formula_structural V2Fe4P6O24Po
_chemical_formula_sum "V2 Fe4 P6 O24 Po1"
_cell_length_a 8.43947482
_cell_length_b 8.43947482
_cell_length_c 8.43947559
_cell_angle_alpha 61.69571962999999
_cell_angle_beta 61.69571962999999
_cell_angle_gamma 61.6957248... |
InsertBetweenAtomsAction | 239e3b46-6880-417d-b8e2-73765bb1070d | mp-1354855 | Insert a Yb atom in the line between atoms at indices 1 and 36, and the inserted atom must be 1.69 angstrom from atom at 1 in the cif file. | data_image0
_chemical_formula_structural Ca6Ti12O24
_chemical_formula_sum "Ca6 Ti12 O24"
_cell_length_a 6.36776819
_cell_length_b 6.36776819
_cell_length_c 15.235737000000002
_cell_angle_alpha 89.08057055
_cell_angle_beta 89.08057055
_cell_angle_gamma 58.024068789999994
_... | data_image0
_chemical_formula_structural Ca6Ti12O24Yb
_chemical_formula_sum "Ca6 Ti12 O24 Yb1"
_cell_length_a 6.36776819
_cell_length_b 6.36776819
_cell_length_c 15.235737000000002
_cell_angle_alpha 89.08057055
_cell_angle_beta 89.08057055
_cell_angle_gamma 58.024068789999... |
InsertBetweenAtomsAction | 58e2c81e-e9d7-4100-8bc4-4cfe180dee66 | mp-851096 | Insert a Cd atom in the line between atoms at indices 69 and 12, and the inserted atom must be 2.17 angstrom from atom at 69 in the cif file. | data_image0
_chemical_formula_structural Li9Cr19O48
_chemical_formula_sum "Li9 Cr19 O48"
_cell_length_a 5.054054
_cell_length_b 10.18300069
_cell_length_c 17.29302586
_cell_angle_alpha 89.99226151
_cell_angle_beta 89.82386839
_cell_angle_gamma 89.96698305000001
_space_gro... | data_image0
_chemical_formula_structural Li9Cr19O48Cd
_chemical_formula_sum "Li9 Cr19 O48 Cd1"
_cell_length_a 5.054054
_cell_length_b 10.18300069
_cell_length_c 17.29302586
_cell_angle_alpha 89.99226151
_cell_angle_beta 89.82386839
_cell_angle_gamma 89.96698305000001
_spa... |
InsertBetweenAtomsAction | 6ad34eda-80af-4937-b29b-b2ced39b90aa | mp-756284 | Insert a Na atom in the line between atoms at indices 20 and 9, and the inserted atom must be 3.63 angstrom from atom at 20 in the cif file. | data_image0
_chemical_formula_structural Li4Co4B4O12
_chemical_formula_sum "Li4 Co4 B4 O12"
_cell_length_a 3.11646909
_cell_length_b 9.157085840000002
_cell_length_c 9.38489997
_cell_angle_alpha 89.99324704
_cell_angle_beta 90.64960494
_cell_angle_gamma 89.45897561
_space... | data_image0
_chemical_formula_structural Li4Co4B4O12Na
_chemical_formula_sum "Li4 Co4 B4 O12 Na1"
_cell_length_a 3.11646909
_cell_length_b 9.157085840000002
_cell_length_c 9.38489997
_cell_angle_alpha 89.99324704
_cell_angle_beta 90.64960494
_cell_angle_gamma 89.45897561
... |
InsertBetweenAtomsAction | dab328c5-7ba6-4d1f-8ba6-bf01433b8378 | mp-1208177 | Insert a He atom in the line between atoms at indices 4 and 5, and the inserted atom must be 3.85 angstrom from atom at 4 in the cif file. | data_image0
_chemical_formula_structural U8Co2
_chemical_formula_sum "U8 Co2"
_cell_length_a 6.73577333
_cell_length_b 6.73577333
_cell_length_c 6.73577333
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
_space_gr... | data_image0
_chemical_formula_structural U8Co2He
_chemical_formula_sum "U8 Co2 He1"
_cell_length_a 6.73577333
_cell_length_b 6.73577333
_cell_length_c 6.73577333
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
_sp... |
InsertBetweenAtomsAction | 2e738470-62e3-4f67-9558-78e5ba479ba7 | mp-1376600 | Insert a Nh atom in the line between atoms at indices 13 and 1, and the inserted atom must be 1.36 angstrom from atom at 13 in the cif file. | data_image0
_chemical_formula_structural V4S10
_chemical_formula_sum "V4 S10"
_cell_length_a 4.334212
_cell_length_b 6.511436
_cell_length_c 13.86584
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_group_IT_num... | data_image0
_chemical_formula_structural V4S10Nh
_chemical_formula_sum "V4 S10 Nh1"
_cell_length_a 4.334212
_cell_length_b 6.511436
_cell_length_c 13.86584
_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_... |
InsertBetweenAtomsAction | c9db2093-77d5-408e-a6bf-7d719dfb735c | mp-1214069 | Insert a Ni atom in the line between atoms at indices 10 and 32, and the inserted atom must be 2.56 angstrom from atom at 10 in the cif file. | data_image0
_chemical_formula_structural Ca2Zr2Si12H4O30
_chemical_formula_sum "Ca2 Zr2 Si12 H4 O30"
_cell_length_a 10.05803507
_cell_length_b 10.05803507
_cell_length_c 7.91884337
_cell_angle_alpha 76.71994602
_cell_angle_beta 76.71994602
_cell_angle_gamma 90.455984140000... | data_image0
_chemical_formula_structural Ca2Zr2Si12H4O30Ni
_chemical_formula_sum "Ca2 Zr2 Si12 H4 O30 Ni1"
_cell_length_a 10.05803507
_cell_length_b 10.05803507
_cell_length_c 7.91884337
_cell_angle_alpha 76.71994602
_cell_angle_beta 76.71994602
_cell_angle_gamma 90.455984... |
InsertBetweenAtomsAction | a4263fb9-9810-4db1-8aed-f052fe6b6948 | mp-1221221 | Insert a Ni atom in the line between atoms at indices 8 and 12, and the inserted atom must be 3.14 angstrom from atom at 8 in the cif file. | data_image0
_chemical_formula_structural Na6Zn6As6O32
_chemical_formula_sum "Na6 Zn6 As6 O32"
_cell_length_a 9.32843459
_cell_length_b 9.32843459
_cell_length_c 9.328435029999998
_cell_angle_alpha 90.54591677
_cell_angle_beta 90.54591677
_cell_angle_gamma 90.54591984
_spa... | data_image0
_chemical_formula_structural Na6Zn6As6O32Ni
_chemical_formula_sum "Na6 Zn6 As6 O32 Ni1"
_cell_length_a 9.32843459
_cell_length_b 9.32843459
_cell_length_c 9.328435029999998
_cell_angle_alpha 90.54591677
_cell_angle_beta 90.54591677
_cell_angle_gamma 90.54591984... |
InsertBetweenAtomsAction | 4075ea5c-dcd9-40dc-bb58-e5741999bbee | mp-766386 | Insert a Cr atom in the line between atoms at indices 16 and 41, and the inserted atom must be 9.93 angstrom from atom at 16 in the cif file. | data_image0
_chemical_formula_structural Mn6Fe2P8O32
_chemical_formula_sum "Mn6 Fe2 P8 O32"
_cell_length_a 11.53339526
_cell_length_b 11.533395260000002
_cell_length_c 4.92890101
_cell_angle_alpha 89.99746044999999
_cell_angle_beta 89.99746044999999
_cell_angle_gamma 62.83... | data_image0
_chemical_formula_structural Mn6Fe2P8O32Cr
_chemical_formula_sum "Mn6 Fe2 P8 O32 Cr1"
_cell_length_a 11.53339526
_cell_length_b 11.533395260000002
_cell_length_c 4.92890101
_cell_angle_alpha 89.99746044999999
_cell_angle_beta 89.99746044999999
_cell_angle_gamma ... |
InsertBetweenAtomsAction | d0bf93e8-0a3f-410c-a7ac-9386cb58e647 | mp-757370 | Insert a Cs atom in the line between atoms at indices 35 and 9, and the inserted atom must be 3.47 angstrom from atom at 35 in 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 Ti5Fe11O24Cs
_chemical_formula_sum "Ti5 Fe11 O24 Cs1"
_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... |
InsertBetweenAtomsAction | aa5704fc-d346-46e0-8ba1-876722f98507 | mp-1331651 | Insert a Ni atom in the line between atoms at indices 0 and 26, and the inserted atom must be 3.11 angstrom from atom at 0 in the cif file. | data_image0
_chemical_formula_structural Li4Mn3V3Sb2O16
_chemical_formula_sum "Li4 Mn3 V3 Sb2 O16"
_cell_length_a 5.93637
_cell_length_b 6.06861172
_cell_length_c 9.79082321
_cell_angle_alpha 91.6773613
_cell_angle_beta 89.93457476
_cell_angle_gamma 119.28604489
_space_gr... | data_image0
_chemical_formula_structural Li4Mn3V3Sb2O16Ni
_chemical_formula_sum "Li4 Mn3 V3 Sb2 O16 Ni1"
_cell_length_a 5.93637
_cell_length_b 6.06861172
_cell_length_c 9.79082321
_cell_angle_alpha 91.6773613
_cell_angle_beta 89.93457476
_cell_angle_gamma 119.28604489
_sp... |
InsertBetweenAtomsAction | d4bd2cee-067e-4189-969e-d0e6eb4ab5cc | mp-542493 | Insert a Tb atom in the line between atoms at indices 25 and 6, and the inserted atom must be 1.93 angstrom from atom at 25 in the cif file. | data_image0
_chemical_formula_structural Sc10Co8Si20
_chemical_formula_sum "Sc10 Co8 Si20"
_cell_length_a 11.95411681
_cell_length_b 11.95413612
_cell_length_c 3.9187231999999996
_cell_angle_alpha 90.00000677
_cell_angle_beta 90.00000261
_cell_angle_gamma 89.99945552
_spa... | data_image0
_chemical_formula_structural Sc10Co8Si20Tb
_chemical_formula_sum "Sc10 Co8 Si20 Tb1"
_cell_length_a 11.95411681
_cell_length_b 11.95413612
_cell_length_c 3.9187231999999996
_cell_angle_alpha 90.00000677
_cell_angle_beta 90.00000261
_cell_angle_gamma 89.99945552... |
InsertBetweenAtomsAction | c5df9029-a9f8-4ecd-bfd3-38c01544d7d8 | mp-1105068 | Insert a O atom in the line between atoms at indices 0 and 10, and the inserted atom must be 2.67 angstrom from atom at 0 in the cif file. | data_image0
_chemical_formula_structural BaYFe4O7
_chemical_formula_sum "Ba1 Y1 Fe4 O7"
_cell_length_a 6.47491245
_cell_length_b 6.47491245
_cell_length_c 6.474912450000001
_cell_angle_alpha 121.45587253
_cell_angle_beta 121.45587253
_cell_angle_gamma 87.49632515
_space_g... | data_image0
_chemical_formula_structural BaYFe4O8
_chemical_formula_sum "Ba1 Y1 Fe4 O8"
_cell_length_a 6.47491245
_cell_length_b 6.47491245
_cell_length_c 6.474912450000001
_cell_angle_alpha 121.45587253
_cell_angle_beta 121.45587253
_cell_angle_gamma 87.49632515
_space_g... |
InsertBetweenAtomsAction | 647f87cd-feb8-4d31-bfc8-5bd565c760e0 | mp-568863 | Insert a Ho atom in the line between atoms at indices 16 and 32, and the inserted atom must be 9.41 angstrom from atom at 16 in the cif file. | data_image0
_chemical_formula_structural Li4Eu8C4Br12N8
_chemical_formula_sum "Li4 Eu8 C4 Br12 N8"
_cell_length_a 10.33667785
_cell_length_b 10.33667785
_cell_length_c 10.33667785
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9... | data_image0
_chemical_formula_structural Li4Eu8C4Br12N8Ho
_chemical_formula_sum "Li4 Eu8 C4 Br12 N8 Ho1"
_cell_length_a 10.33667785
_cell_length_b 10.33667785
_cell_length_c 10.33667785
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma ... |
InsertBetweenAtomsAction | bed7ac09-02a5-4706-b91c-df98226cd249 | mp-849289 | Insert a Am atom in the line between atoms at indices 5 and 24, and the inserted atom must be 2.97 angstrom from atom at 5 in the cif file. | data_image0
_chemical_formula_structural Na36Co12O36
_chemical_formula_sum "Na36 Co12 O36"
_cell_length_a 8.2560515
_cell_length_b 8.2560515
_cell_length_c 16.348313
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 96.78153075
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Na36Co12O36Am
_chemical_formula_sum "Na36 Co12 O36 Am1"
_cell_length_a 8.2560515
_cell_length_b 8.2560515
_cell_length_c 16.348313
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 96.78153075
_space_group_name_H-M_alt... |
InsertBetweenAtomsAction | 104be5eb-d7d1-49ec-bfcf-f6bab9132f62 | mp-1190379 | Insert a Ti atom in the line between atoms at indices 21 and 0, and the inserted atom must be 4.11 angstrom from atom at 21 in the cif file. | data_image0
_chemical_formula_structural Ca4Se4O16
_chemical_formula_sum "Ca4 Se4 O16"
_cell_length_a 6.39656071
_cell_length_b 7.21233983
_cell_length_c 8.05958306
_cell_angle_alpha 116.56152868000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Ca4Se4O16Ti
_chemical_formula_sum "Ca4 Se4 O16 Ti1"
_cell_length_a 6.39656071
_cell_length_b 7.21233983
_cell_length_c 8.05958306
_cell_angle_alpha 116.56152868000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H... |
InsertBetweenAtomsAction | eec29271-c9a4-4c5c-9789-bff758065561 | mp-1234352 | Insert a Bk atom in the line between atoms at indices 13 and 35, and the inserted atom must be 4.35 angstrom from atom at 13 in the cif file. | data_image0
_chemical_formula_structural MgAg20Bi4O16
_chemical_formula_sum "Mg1 Ag20 Bi4 O16"
_cell_length_a 6.09014315
_cell_length_b 8.998793890000002
_cell_length_c 13.50375975
_cell_angle_alpha 84.87861307999998
_cell_angle_beta 86.06348324
_cell_angle_gamma 85.797892... | data_image0
_chemical_formula_structural MgAg20Bi4O16Bk
_chemical_formula_sum "Mg1 Ag20 Bi4 O16 Bk1"
_cell_length_a 6.09014315
_cell_length_b 8.998793890000002
_cell_length_c 13.50375975
_cell_angle_alpha 84.87861307999998
_cell_angle_beta 86.06348324
_cell_angle_gamma 85.... |
InsertBetweenAtomsAction | ca734486-6064-4ccb-8497-0fe8ebb7e66b | mp-558119 | Insert a Rn atom in the line between atoms at indices 50 and 63, and the inserted atom must be 2.31 angstrom from atom at 50 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 Lu16Mo16O44Rn
_chemical_formula_sum "Lu16 Mo16 O44 Rn1"
_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 | b051504c-96d8-42b7-9a22-fe421fc4cffb | mp-1388601 | Insert a Sr atom in the line between atoms at indices 2 and 12, and the inserted atom must be 2.25 angstrom from atom at 2 in the cif file. | data_image0
_chemical_formula_structural Tl4Se2O8
_chemical_formula_sum "Tl4 Se2 O8"
_cell_length_a 6.09941271
_cell_length_b 6.09941271
_cell_length_c 8.26682876
_cell_angle_alpha 90.01266462999999
_cell_angle_beta 90.01266462999999
_cell_angle_gamma 116.04875848
_space_... | data_image0
_chemical_formula_structural Tl4Se2O8Sr
_chemical_formula_sum "Tl4 Se2 O8 Sr1"
_cell_length_a 6.09941271
_cell_length_b 6.09941271
_cell_length_c 8.26682876
_cell_angle_alpha 90.01266462999999
_cell_angle_beta 90.01266462999999
_cell_angle_gamma 116.04875848
_... |
InsertBetweenAtomsAction | 8220b92c-ec0d-4784-bf61-0e3dcb31fa00 | mp-1246769 | Insert a Rf atom in the line between atoms at indices 6 and 1, and the inserted atom must be 1.55 angstrom from atom at 6 in the cif file. | data_image0
_chemical_formula_structural Mg2Mn2Mo2S8
_chemical_formula_sum "Mg2 Mn2 Mo2 S8"
_cell_length_a 7.4375125
_cell_length_b 7.394863889999999
_cell_length_c 7.395764609999999
_cell_angle_alpha 59.228086969999985
_cell_angle_beta 59.78895210999999
_cell_angle_gamma ... | data_image0
_chemical_formula_structural Mg2Mn2Mo2S8Rf
_chemical_formula_sum "Mg2 Mn2 Mo2 S8 Rf1"
_cell_length_a 7.4375125
_cell_length_b 7.394863889999999
_cell_length_c 7.395764609999999
_cell_angle_alpha 59.228086969999985
_cell_angle_beta 59.78895210999999
_cell_angle_gam... |
InsertBetweenAtomsAction | f143c746-d45b-4334-b69e-669b990dea70 | mp-1193804 | Insert a B atom in the line between atoms at indices 5 and 14, and the inserted atom must be 3.50 angstrom from atom at 5 in the cif file. | data_image0
_chemical_formula_structural Pr12Ga8Ni8
_chemical_formula_sum "Pr12 Ga8 Ni8"
_cell_length_a 5.809571
_cell_length_b 8.312716
_cell_length_c 12.825664
_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 Pr12Ga8Ni8B
_chemical_formula_sum "Pr12 Ga8 Ni8 B1"
_cell_length_a 5.809571
_cell_length_b 8.312716
_cell_length_c 12.825664
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_sp... |
InsertBetweenAtomsAction | 9edcd54c-8c82-4ff0-826d-0ab1589f1c12 | mp-1176004 | Insert a H atom in the line between atoms at indices 8 and 5, and the inserted atom must be 1.26 angstrom from atom at 8 in the cif file. | data_image0
_chemical_formula_structural Li9Mn2Co5O16
_chemical_formula_sum "Li9 Mn2 Co5 O16"
_cell_length_a 5.072383
_cell_length_b 5.895834739999999
_cell_length_c 10.01012744
_cell_angle_alpha 91.76363245
_cell_angle_beta 99.42135843
_cell_angle_gamma 105.09156994
_spa... | data_image0
_chemical_formula_structural Li9Mn2Co5O16H
_chemical_formula_sum "Li9 Mn2 Co5 O16 H1"
_cell_length_a 5.072383
_cell_length_b 5.895834739999999
_cell_length_c 10.01012744
_cell_angle_alpha 91.76363245
_cell_angle_beta 99.42135843
_cell_angle_gamma 105.09156994
... |
InsertBetweenAtomsAction | 73204c7c-f6ee-4d55-9acd-d230854312ad | mp-1205001 | Insert a Lv atom in the line between atoms at indices 16 and 41, and the inserted atom must be 2.40 angstrom from atom at 16 in the cif file. | data_image0
_chemical_formula_structural Os8Xe4O24F40
_chemical_formula_sum "Os8 Xe4 O24 F40"
_cell_length_a 7.84387
_cell_length_b 11.837705
_cell_length_c 13.171691
_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 Os8Xe4O24F40Lv
_chemical_formula_sum "Os8 Xe4 O24 F40 Lv1"
_cell_length_a 7.84387
_cell_length_b 11.837705
_cell_length_c 13.171691
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... |
InsertBetweenAtomsAction | fd22e00b-1b41-4e13-80b4-a6333f90fa05 | mp-1521867 | Insert a H atom in the line between atoms at indices 9 and 1, and the inserted atom must be 2.70 angstrom from atom at 9 in the cif file. | data_image0
_chemical_formula_structural KBaNdWO6
_chemical_formula_sum "K1 Ba1 Nd1 W1 O6"
_cell_length_a 6.09260701
_cell_length_b 6.09260701
_cell_length_c 6.09260701
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.9999999999... | data_image0
_chemical_formula_structural KBaNdWO6H
_chemical_formula_sum "K1 Ba1 Nd1 W1 O6 H1"
_cell_length_a 6.09260701
_cell_length_b 6.09260701
_cell_length_c 6.09260701
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.999999... |
InsertBetweenAtomsAction | f05e04d6-dca6-404b-8d63-add0cdc56af7 | mp-1041713 | Insert a V atom in the line between atoms at indices 7 and 4, and the inserted atom must be 2.14 angstrom from atom at 7 in the cif file. | data_image0
_chemical_formula_structural AlCrW2O8
_chemical_formula_sum "Al1 Cr1 W2 O8"
_cell_length_a 5.02399
_cell_length_b 5.79633251
_cell_length_c 6.65503974
_cell_angle_alpha 65.45539295
_cell_angle_beta 80.58051975
_cell_angle_gamma 71.44120456
_space_group_name_H-... | data_image0
_chemical_formula_structural AlCrW2O8V
_chemical_formula_sum "Al1 Cr1 W2 O8 V1"
_cell_length_a 5.02399
_cell_length_b 5.79633251
_cell_length_c 6.65503974
_cell_angle_alpha 65.45539295
_cell_angle_beta 80.58051975
_cell_angle_gamma 71.44120456
_space_group_nam... |
InsertBetweenAtomsAction | 75d11d88-3940-4284-8dd3-26a1cf3deeda | mp-1191389 | Insert a Nh atom in the line between atoms at indices 12 and 8, and the inserted atom must be 4.50 angstrom from atom at 12 in the cif file. | data_image0
_chemical_formula_structural Pr4V4O16
_chemical_formula_sum "Pr4 V4 O16"
_cell_length_a 6.66898717
_cell_length_b 6.9885765200000005
_cell_length_c 7.220464
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 105.19302093999998
_space_group_name_H-M... | data_image0
_chemical_formula_structural Pr4V4O16Nh
_chemical_formula_sum "Pr4 V4 O16 Nh1"
_cell_length_a 6.66898717
_cell_length_b 6.9885765200000005
_cell_length_c 7.220464
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 105.19302093999998
_space_group_na... |
InsertBetweenAtomsAction | f350700a-5faf-44ca-85b9-1b586a94f960 | mp-766954 | Insert a Ir atom in the line between atoms at indices 22 and 8, and the inserted atom must be 2.15 angstrom from atom at 22 in the cif file. | data_image0
_chemical_formula_structural Li4V4F20
_chemical_formula_sum "Li4 V4 F20"
_cell_length_a 6.768927
_cell_length_b 7.313568
_cell_length_c 7.63146704
_cell_angle_alpha 89.12887012
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_sp... | data_image0
_chemical_formula_structural Li4V4F20Ir
_chemical_formula_sum "Li4 V4 F20 Ir1"
_cell_length_a 6.768927
_cell_length_b 7.313568
_cell_length_c 7.63146704
_cell_angle_alpha 89.12887012
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
InsertBetweenAtomsAction | c7a3e55c-ae9a-42d0-8670-f33e4a796102 | mp-1191029 | Insert a Bi atom in the line between atoms at indices 7 and 20, and the inserted atom must be 0.56 angstrom from atom at 7 in the cif file. | data_image0
_chemical_formula_structural Pr4C4O16
_chemical_formula_sum "Pr4 C4 O16"
_cell_length_a 5.00660164
_cell_length_b 7.44045528
_cell_length_c 8.17906329
_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 Pr4C4O16Bi
_chemical_formula_sum "Pr4 C4 O16 Bi1"
_cell_length_a 5.00660164
_cell_length_b 7.44045528
_cell_length_c 8.17906329
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... |
InsertBetweenAtomsAction | 05782cde-dd3e-4529-8efb-ff18786a764f | mp-699405 | Insert a Fm atom in the line between atoms at indices 56 and 37, and the inserted atom must be 2.37 angstrom from atom at 56 in the cif file. | data_image0
_chemical_formula_structural Ca6Mg5Al2Si11O36
_chemical_formula_sum "Ca6 Mg5 Al2 Si11 O36"
_cell_length_a 6.650531
_cell_length_b 6.654762510000001
_cell_length_c 15.97132531
_cell_angle_alpha 78.01366495
_cell_angle_beta 78.21072673
_cell_angle_gamma 84.428660... | data_image0
_chemical_formula_structural Ca6Mg5Al2Si11O36Fm
_chemical_formula_sum "Ca6 Mg5 Al2 Si11 O36 Fm1"
_cell_length_a 6.650531
_cell_length_b 6.654762510000001
_cell_length_c 15.97132531
_cell_angle_alpha 78.01366495
_cell_angle_beta 78.21072673
_cell_angle_gamma 84.... |
InsertBetweenAtomsAction | 12b3c5a1-a97f-47fb-8446-cf1592f955a9 | mp-1079659 | Insert a F atom in the line between atoms at indices 5 and 7, and the inserted atom must be 1.26 angstrom from atom at 5 in the cif file. | data_image0
_chemical_formula_structural Ta2B4Mo4
_chemical_formula_sum "Ta2 B4 Mo4"
_cell_length_a 6.126533
_cell_length_b 6.126533
_cell_length_c 3.192332
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_group... | data_image0
_chemical_formula_structural Ta2B4Mo4F
_chemical_formula_sum "Ta2 B4 Mo4 F1"
_cell_length_a 6.126533
_cell_length_b 6.126533
_cell_length_c 3.192332
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_g... |
InsertBetweenAtomsAction | b0ed4033-7458-492e-af45-9f5a6f0a6277 | mp-1193985 | Insert a Cr atom in the line between atoms at indices 19 and 9, and the inserted atom must be 2.39 angstrom from atom at 19 in the cif file. | data_image0
_chemical_formula_structural Ta2Co21B6
_chemical_formula_sum "Ta2 Co21 B6"
_cell_length_a 7.42278272
_cell_length_b 7.42278272
_cell_length_c 7.42278272
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
... | data_image0
_chemical_formula_structural Ta2Co21B6Cr
_chemical_formula_sum "Ta2 Co21 B6 Cr1"
_cell_length_a 7.42278272
_cell_length_b 7.42278272
_cell_length_c 7.42278272
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999999999... |
InsertBetweenAtomsAction | 9003f1ae-d64f-458a-a62a-bd4a4fe1ea89 | mp-1043418 | Insert a Zn atom in the line between atoms at indices 16 and 13, and the inserted atom must be 1.19 angstrom from atom at 16 in the cif file. | data_image0
_chemical_formula_structural Co8O12
_chemical_formula_sum "Co8 O12"
_cell_length_a 5.15061024
_cell_length_b 5.150610239999999
_cell_length_c 15.216366
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 145.9219317
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural Co8O12Zn
_chemical_formula_sum "Co8 O12 Zn1"
_cell_length_a 5.15061024
_cell_length_b 5.150610239999999
_cell_length_c 15.216366
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 145.9219317
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | 7b0513f6-d236-412a-ba98-415332618c77 | mp-1095216 | Insert a Rn atom in the line between atoms at indices 7 and 8, and the inserted atom must be 3.37 angstrom from atom at 7 in the cif file. | data_image0
_chemical_formula_structural Nd2As2O8
_chemical_formula_sum "Nd2 As2 O8"
_cell_length_a 6.84642559
_cell_length_b 6.84641035
_cell_length_c 6.846420990000001
_cell_angle_alpha 136.03322193000002
_cell_angle_beta 136.03328191999998
_cell_angle_gamma 63.928960810... | data_image0
_chemical_formula_structural Nd2As2O8Rn
_chemical_formula_sum "Nd2 As2 O8 Rn1"
_cell_length_a 6.84642559
_cell_length_b 6.84641035
_cell_length_c 6.846420990000001
_cell_angle_alpha 136.03322193000002
_cell_angle_beta 136.03328191999998
_cell_angle_gamma 63.928... |
InsertBetweenAtomsAction | a3faa555-1764-464b-a97d-2f9cf23e9d7c | mp-1046171 | Insert a Ca atom in the line between atoms at indices 9 and 38, and the inserted atom must be 4.72 angstrom from atom at 9 in the cif file. | data_image0
_chemical_formula_structural Ca8Ta8Cr4O32
_chemical_formula_sum "Ca8 Ta8 Cr4 O32"
_cell_length_a 5.4333689
_cell_length_b 10.393578229999997
_cell_length_c 13.114036659999998
_cell_angle_alpha 112.36772498
_cell_angle_beta 88.06335802
_cell_angle_gamma 92.69853... | data_image0
_chemical_formula_structural Ca8Ta8Cr4O32Ca
_chemical_formula_sum "Ca9 Ta8 Cr4 O32"
_cell_length_a 5.4333689
_cell_length_b 10.393578229999997
_cell_length_c 13.114036659999998
_cell_angle_alpha 112.36772498
_cell_angle_beta 88.06335802
_cell_angle_gamma 92.698... |
InsertBetweenAtomsAction | 5057f6f1-8085-49b2-ac8c-43a30a08c487 | mp-28950 | Insert a Nd atom in the line between atoms at indices 21 and 7, and the inserted atom must be 4.99 angstrom from atom at 21 in the cif file. | data_image0
_chemical_formula_structural P8N12O2
_chemical_formula_sum "P8 N12 O2"
_cell_length_a 6.10342947
_cell_length_b 6.82329096
_cell_length_c 6.83991406
_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 P8N12O2Nd
_chemical_formula_sum "P8 N12 O2 Nd1"
_cell_length_a 6.10342947
_cell_length_b 6.82329096
_cell_length_c 6.83991406
_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 | 2803e08e-ebb2-4f96-9a57-17682b72ddd5 | mp-849387 | Insert a Br atom in the line between atoms at indices 17 and 10, and the inserted atom must be 0.56 angstrom from atom at 17 in the cif file. | data_image0
_chemical_formula_structural Cu6OF11
_chemical_formula_sum "Cu6 O1 F11"
_cell_length_a 3.19079291
_cell_length_b 13.70274985
_cell_length_c 4.57558502
_cell_angle_alpha 91.14804451000002
_cell_angle_beta 84.64664774000002
_cell_angle_gamma 90.962296
_space_gro... | data_image0
_chemical_formula_structural Cu6OF11Br
_chemical_formula_sum "Cu6 O1 F11 Br1"
_cell_length_a 3.19079291
_cell_length_b 13.70274985
_cell_length_c 4.57558502
_cell_angle_alpha 91.14804451000002
_cell_angle_beta 84.64664774000002
_cell_angle_gamma 90.962296
_spa... |
InsertBetweenAtomsAction | 0abc8fba-0169-477a-b6e5-2e739b123a69 | mp-1386638 | Insert a Cl atom in the line between atoms at indices 18 and 25, and the inserted atom must be 5.07 angstrom from atom at 18 in the cif file. | data_image0
_chemical_formula_structural Na5Cu3P4O16
_chemical_formula_sum "Na5 Cu3 P4 O16"
_cell_length_a 5.153311
_cell_length_b 8.50180228
_cell_length_c 9.19285883
_cell_angle_alpha 116.13220197999999
_cell_angle_beta 89.51196592
_cell_angle_gamma 106.14481032
_space_... | data_image0
_chemical_formula_structural Na5Cu3P4O16Cl
_chemical_formula_sum "Na5 Cu3 P4 O16 Cl1"
_cell_length_a 5.153311
_cell_length_b 8.50180228
_cell_length_c 9.19285883
_cell_angle_alpha 116.13220197999999
_cell_angle_beta 89.51196592
_cell_angle_gamma 106.14481032
_... |
InsertBetweenAtomsAction | 536fbcdf-9e6a-4c0f-9540-dd279af060f6 | mp-1112428 | Insert a Rh atom in the line between atoms at indices 3 and 2, and the inserted atom must be 5.15 angstrom from atom at 3 in the cif file. | data_image0
_chemical_formula_structural K2EuAuCl6
_chemical_formula_sum "K2 Eu1 Au1 Cl6"
_cell_length_a 7.631531
_cell_length_b 7.6315315
_cell_length_c 7.6315312099999995
_cell_angle_alpha 59.999999790000004
_cell_angle_beta 59.99999656
_cell_angle_gamma 59.99999782
_sp... | data_image0
_chemical_formula_structural K2EuAuCl6Rh
_chemical_formula_sum "K2 Eu1 Au1 Cl6 Rh1"
_cell_length_a 7.631531
_cell_length_b 7.6315315
_cell_length_c 7.6315312099999995
_cell_angle_alpha 59.999999790000004
_cell_angle_beta 59.99999656
_cell_angle_gamma 59.9999978... |
InsertBetweenAtomsAction | 5c03bfab-90f6-41c9-a61b-fa1db008e0a5 | mp-1026680 | Insert a Bi atom in the line between atoms at indices 8 and 6, and the inserted atom must be 3.26 angstrom from atom at 8 in the cif file. | data_image0
_chemical_formula_structural NaMg14Cr
_chemical_formula_sum "Na1 Mg14 Cr1"
_cell_length_a 6.37615542
_cell_length_b 6.41169348
_cell_length_c 10.25765607
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.18455006
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural NaMg14CrBi
_chemical_formula_sum "Na1 Mg14 Cr1 Bi1"
_cell_length_a 6.37615542
_cell_length_b 6.41169348
_cell_length_c 10.25765607
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.18455006
_space_group_name_H-M_al... |
InsertBetweenAtomsAction | 67c086bc-4081-496d-bb4e-07238830b9d6 | mp-732227 | Insert a Nd atom in the line between atoms at indices 5 and 13, and the inserted atom must be 0.99 angstrom from atom at 5 in the cif file. | data_image0
_chemical_formula_structural Sb4As4N4O16F8
_chemical_formula_sum "Sb4 As4 N4 O16 F8"
_cell_length_a 8.603706
_cell_length_b 7.63962
_cell_length_c 11.15992613
_cell_angle_alpha 86.14938772
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Sb4As4N4O16F8Nd
_chemical_formula_sum "Sb4 As4 N4 O16 F8 Nd1"
_cell_length_a 8.603706
_cell_length_b 7.63962
_cell_length_c 11.15992613
_cell_angle_alpha 86.14938772
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-... |
InsertBetweenAtomsAction | ee649529-31e7-45c7-b7db-f09c7b881a4f | mp-1034797 | Insert a Ru atom in the line between atoms at indices 28 and 19, and the inserted atom must be 4.55 angstrom from atom at 28 in the cif file. | data_image0
_chemical_formula_structural RbNaMg14O15
_chemical_formula_sum "Rb1 Na1 Mg14 O15"
_cell_length_a 4.212568
_cell_length_b 8.376669
_cell_length_c 10.410615
_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 RbNaMg14O15Ru
_chemical_formula_sum "Rb1 Na1 Mg14 O15 Ru1"
_cell_length_a 4.212568
_cell_length_b 8.376669
_cell_length_c 10.410615
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... |
InsertBetweenAtomsAction | 5a8c997a-c345-48ca-93dd-c4445c1715bc | mp-1101792 | Insert a Zr atom in the line between atoms at indices 5 and 3, and the inserted atom must be 1.32 angstrom from atom at 5 in the cif file. | data_image0
_chemical_formula_structural Eu4Mg8
_chemical_formula_sum "Eu4 Mg8"
_cell_length_a 6.31314516
_cell_length_b 6.31314516
_cell_length_c 10.20866907
_cell_angle_alpha 89.99999702
_cell_angle_beta 89.99999702
_cell_angle_gamma 120.00021131
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural Eu4Mg8Zr
_chemical_formula_sum "Eu4 Mg8 Zr1"
_cell_length_a 6.31314516
_cell_length_b 6.31314516
_cell_length_c 10.20866907
_cell_angle_alpha 89.99999702
_cell_angle_beta 89.99999702
_cell_angle_gamma 120.00021131
_space_group_name... |
InsertBetweenAtomsAction | f20bdba4-de3a-411d-b78f-70aac75718d0 | mp-1195405 | Insert a Au atom in the line between atoms at indices 12 and 29, and the inserted atom must be 3.21 angstrom from atom at 12 in the cif file. | data_image0
_chemical_formula_structural Ho4Mn4Cu16P12
_chemical_formula_sum "Ho4 Mn4 Cu16 P12"
_cell_length_a 3.771811
_cell_length_b 10.83911
_cell_length_c 12.524323
_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 Ho4Mn4Cu16P12Au
_chemical_formula_sum "Ho4 Mn4 Cu16 P12 Au1"
_cell_length_a 3.771811
_cell_length_b 10.83911
_cell_length_c 12.524323
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | ab433a09-0330-4d75-aa2e-54e11cf84396 | mp-767412 | Insert a Nh atom in the line between atoms at indices 7 and 0, and the inserted atom must be 0.81 angstrom from atom at 7 in the cif file. | data_image0
_chemical_formula_structural Li3Co4S8
_chemical_formula_sum "Li3 Co4 S8"
_cell_length_a 7.37482279
_cell_length_b 7.37482279
_cell_length_c 7.374822710000001
_cell_angle_alpha 54.60455602
_cell_angle_beta 54.60455602
_cell_angle_gamma 54.60456056
_space_group_... | data_image0
_chemical_formula_structural Li3Co4S8Nh
_chemical_formula_sum "Li3 Co4 S8 Nh1"
_cell_length_a 7.37482279
_cell_length_b 7.37482279
_cell_length_c 7.374822710000001
_cell_angle_alpha 54.60455602
_cell_angle_beta 54.60455602
_cell_angle_gamma 54.60456056
_space_... |
InsertBetweenAtomsAction | d26665ad-6c74-40f2-9293-488901138b1a | mp-1208738 | Insert a Rn atom in the line between atoms at indices 5 and 12, and the inserted atom must be 0.99 angstrom from atom at 5 in the cif file. | data_image0
_chemical_formula_structural Tb12Ni6Pb
_chemical_formula_sum "Tb12 Ni6 Pb1"
_cell_length_a 8.41719034
_cell_length_b 8.41719034
_cell_length_c 8.41719034
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_space_group_n... | data_image0
_chemical_formula_structural Tb12Ni6PbRn
_chemical_formula_sum "Tb12 Ni6 Pb1 Rn1"
_cell_length_a 8.41719034
_cell_length_b 8.41719034
_cell_length_c 8.41719034
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_space_g... |
InsertBetweenAtomsAction | c0a79562-0dbd-4df9-8bda-14cadca178a3 | mp-1080201 | Insert a Pd atom in the line between atoms at indices 8 and 27, and the inserted atom must be 4.15 angstrom from atom at 8 in the cif file. | data_image0
_chemical_formula_structural Re12N16
_chemical_formula_sum "Re12 N16"
_cell_length_a 5.274998
_cell_length_b 5.873241
_cell_length_c 10.053127
_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 Re12N16Pd
_chemical_formula_sum "Re12 N16 Pd1"
_cell_length_a 5.274998
_cell_length_b 5.873241
_cell_length_c 10.053127
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_g... |
InsertBetweenAtomsAction | 66ecd0d2-d555-4f8f-9c89-a42d2bb0c331 | mp-1228475 | Insert a K atom in the line between atoms at indices 39 and 30, and the inserted atom must be 3.58 angstrom from atom at 39 in the cif file. | data_image0
_chemical_formula_structural Ba10Mn2Co8O28
_chemical_formula_sum "Ba10 Mn2 Co8 O28"
_cell_length_a 5.789929
_cell_length_b 10.016607
_cell_length_c 12.0896831
_cell_angle_alpha 89.94737559
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ba10Mn2Co8O28K
_chemical_formula_sum "Ba10 Mn2 Co8 O28 K1"
_cell_length_a 5.789929
_cell_length_b 10.016607
_cell_length_c 12.0896831
_cell_angle_alpha 89.94737559
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... |
InsertBetweenAtomsAction | 87e18c07-3abc-4cb8-8df5-05d7168ed432 | mp-25284 | Insert a Ir atom in the line between atoms at indices 0 and 13, and the inserted atom must be 1.56 angstrom from atom at 0 in the cif file. | data_image0
_chemical_formula_structural Li2Mn4Ni2O12
_chemical_formula_sum "Li2 Mn4 Ni2 O12"
_cell_length_a 5.04900018
_cell_length_b 5.04906524
_cell_length_c 10.42357366
_cell_angle_alpha 86.33280131
_cell_angle_beta 93.66216847
_cell_angle_gamma 120.76071514
_space_gr... | data_image0
_chemical_formula_structural Li2Mn4Ni2O12Ir
_chemical_formula_sum "Li2 Mn4 Ni2 O12 Ir1"
_cell_length_a 5.04900018
_cell_length_b 5.04906524
_cell_length_c 10.42357366
_cell_angle_alpha 86.33280131
_cell_angle_beta 93.66216847
_cell_angle_gamma 120.76071514
_sp... |
InsertBetweenAtomsAction | a9475671-fbef-4689-bccd-88fb53173820 | mp-2233356 | Insert a Lr atom in the line between atoms at indices 15 and 14, and the inserted atom must be 4.26 angstrom from atom at 15 in the cif file. | data_image0
_chemical_formula_structural MgCu2AgS2O10
_chemical_formula_sum "Mg1 Cu2 Ag1 S2 O10"
_cell_length_a 5.89393351
_cell_length_b 5.8879384
_cell_length_c 7.52324581
_cell_angle_alpha 105.49813425
_cell_angle_beta 101.12880505
_cell_angle_gamma 114.72312795000002
... | data_image0
_chemical_formula_structural MgCu2AgS2O10Lr
_chemical_formula_sum "Mg1 Cu2 Ag1 S2 O10 Lr1"
_cell_length_a 5.89393351
_cell_length_b 5.8879384
_cell_length_c 7.52324581
_cell_angle_alpha 105.49813425
_cell_angle_beta 101.12880505
_cell_angle_gamma 114.7231279500... |
InsertBetweenAtomsAction | b4a5e2df-e603-42a9-ad67-680d0723cc89 | mp-1204342 | Insert a Ra atom in the line between atoms at indices 22 and 32, and the inserted atom must be 1.10 angstrom from atom at 22 in the cif file. | data_image0
_chemical_formula_structural Ca8B12H16Cl4O32
_chemical_formula_sum "Ca8 B12 H16 Cl4 O32"
_cell_length_a 7.22859361
_cell_length_b 7.93274174
_cell_length_c 12.556271389999997
_cell_angle_alpha 86.44647157
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_gro... | data_image0
_chemical_formula_structural Ca8B12H16Cl4O32Ra
_chemical_formula_sum "Ca8 B12 H16 Cl4 O32 Ra1"
_cell_length_a 7.22859361
_cell_length_b 7.93274174
_cell_length_c 12.556271389999997
_cell_angle_alpha 86.44647157
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_spa... |
InsertBetweenAtomsAction | 39cd1bd6-ad27-4aed-a238-97ef1abfc9da | mp-1178408 | Insert a H atom in the line between atoms at indices 8 and 14, and the inserted atom must be 1.14 angstrom from atom at 8 in the cif file. | data_image0
_chemical_formula_structural Cs8Hf4O12
_chemical_formula_sum "Cs8 Hf4 O12"
_cell_length_a 6.508997
_cell_length_b 7.293960569999999
_cell_length_c 14.537729
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 116.4995589
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Cs8Hf4O12H
_chemical_formula_sum "Cs8 Hf4 O12 H1"
_cell_length_a 6.508997
_cell_length_b 7.293960569999999
_cell_length_c 14.537729
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 116.4995589
_space_group_name_H-M_al... |
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