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 | b97f4f13-4db9-4627-bb8f-4ab9998da5c5 | mp-1179245 | Insert a He atom in the line between atoms at indices 1 and 27, and the inserted atom must be 6.15 angstrom from atom at 1 in the cif file. | data_image0
_chemical_formula_structural V6H12O20
_chemical_formula_sum "V6 H12 O20"
_cell_length_a 6.109909
_cell_length_b 8.90692701
_cell_length_c 9.072093930000001
_cell_angle_alpha 88.65203732
_cell_angle_beta 86.15278078
_cell_angle_gamma 81.7956423
_space_group_nam... | data_image0
_chemical_formula_structural V6H12O20He
_chemical_formula_sum "V6 H12 O20 He1"
_cell_length_a 6.109909
_cell_length_b 8.90692701
_cell_length_c 9.072093930000001
_cell_angle_alpha 88.65203732
_cell_angle_beta 86.15278078
_cell_angle_gamma 81.7956423
_space_gro... |
InsertBetweenAtomsAction | bc36874f-f439-485f-bcc0-86e8dc8ed2e5 | mp-1397105 | Insert a Ar atom in the line between atoms at indices 27 and 18, and the inserted atom must be 1.58 angstrom from atom at 27 in the cif file. | data_image0
_chemical_formula_structural Rb2Nb6Cu2Cl18
_chemical_formula_sum "Rb2 Nb6 Cu2 Cl18"
_cell_length_a 9.455724
_cell_length_b 9.47075796
_cell_length_c 9.47459431
_cell_angle_alpha 119.70891577000002
_cell_angle_beta 105.57744098
_cell_angle_gamma 95.73010008
_sp... | data_image0
_chemical_formula_structural Rb2Nb6Cu2Cl18Ar
_chemical_formula_sum "Rb2 Nb6 Cu2 Cl18 Ar1"
_cell_length_a 9.455724
_cell_length_b 9.47075796
_cell_length_c 9.47459431
_cell_angle_alpha 119.70891577000002
_cell_angle_beta 105.57744098
_cell_angle_gamma 95.7301000... |
InsertBetweenAtomsAction | adff5f29-bfb8-442f-8a49-b5b3b51f24df | mp-1199467 | Insert a Cn atom in the line between atoms at indices 9 and 11, and the inserted atom must be 7.53 angstrom from atom at 9 in the cif file. | data_image0
_chemical_formula_structural Lu20Ge16
_chemical_formula_sum "Lu20 Ge16"
_cell_length_a 7.36423847
_cell_length_b 7.46203221
_cell_length_c 14.16995855
_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 Lu20Ge16Cn
_chemical_formula_sum "Lu20 Ge16 Cn1"
_cell_length_a 7.36423847
_cell_length_b 7.46203221
_cell_length_c 14.16995855
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... |
InsertBetweenAtomsAction | 7ec81de7-60f3-465a-84f1-2cf775e38091 | mp-569786 | Insert a Br atom in the line between atoms at indices 12 and 4, and the inserted atom must be 3.80 angstrom from atom at 12 in the cif file. | data_image0
_chemical_formula_structural Er8Pb4Se16
_chemical_formula_sum "Er8 Pb4 Se16"
_cell_length_a 4.112409
_cell_length_b 12.567483
_cell_length_c 14.943412
_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 Er8Pb4Se16Br
_chemical_formula_sum "Er8 Pb4 Se16 Br1"
_cell_length_a 4.112409
_cell_length_b 12.567483
_cell_length_c 14.943412
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... |
InsertBetweenAtomsAction | b686abdd-6564-4cba-828c-c0ae1a1d69a2 | mp-1197733 | Insert a Np atom in the line between atoms at indices 32 and 3, and the inserted atom must be 1.89 angstrom from atom at 32 in the cif file. | data_image0
_chemical_formula_structural Mg4S8O36
_chemical_formula_sum "Mg4 S8 O36"
_cell_length_a 6.761775
_cell_length_b 8.274607
_cell_length_c 12.573329
_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 Mg4S8O36Np
_chemical_formula_sum "Mg4 S8 O36 Np1"
_cell_length_a 6.761775
_cell_length_b 8.274607
_cell_length_c 12.573329
_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 | 207ba88e-639f-46e1-8986-5468ca117c1a | mp-736227 | Insert a Am atom in the line between atoms at indices 19 and 0, and the inserted atom must be 3.27 angstrom from atom at 19 in the cif file. | data_image0
_chemical_formula_structural C16N16
_chemical_formula_sum "C16 N16"
_cell_length_a 4.429825
_cell_length_b 9.562066
_cell_length_c 18.58444721
_cell_angle_alpha 75.86542616
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_... | data_image0
_chemical_formula_structural C16N16Am
_chemical_formula_sum "C16 N16 Am1"
_cell_length_a 4.429825
_cell_length_b 9.562066
_cell_length_c 18.58444721
_cell_angle_alpha 75.86542616
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
InsertBetweenAtomsAction | 755b3c0e-6d23-46a5-ba23-9ad6847ec3bd | mp-1049235 | Insert a Co atom in the line between atoms at indices 5 and 11, and the inserted atom must be 4.74 angstrom from atom at 5 in the cif file. | data_image0
_chemical_formula_structural La2Ta2Zn2Cr2O12
_chemical_formula_sum "La2 Ta2 Zn2 Cr2 O12"
_cell_length_a 5.725048
_cell_length_b 5.422845
_cell_length_c 10.00285536
_cell_angle_alpha 58.01628817999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_na... | data_image0
_chemical_formula_structural La2Ta2Zn2Cr2O12Co
_chemical_formula_sum "La2 Ta2 Zn2 Cr2 O12 Co1"
_cell_length_a 5.725048
_cell_length_b 5.422845
_cell_length_c 10.00285536
_cell_angle_alpha 58.01628817999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_gr... |
InsertBetweenAtomsAction | 0d0cd5d7-a589-4f1d-b533-10e15964774e | mp-1177049 | Insert a Ir atom in the line between atoms at indices 27 and 37, and the inserted atom must be 6.03 angstrom from atom at 27 in the cif file. | data_image0
_chemical_formula_structural Li6Co3NiP6O24
_chemical_formula_sum "Li6 Co3 Ni1 P6 O24"
_cell_length_a 8.412915
_cell_length_b 8.47702918
_cell_length_c 8.50538614
_cell_angle_alpha 62.45319165
_cell_angle_beta 62.58654536
_cell_angle_gamma 62.80725303
_space_gr... | data_image0
_chemical_formula_structural Li6Co3NiP6O24Ir
_chemical_formula_sum "Li6 Co3 Ni1 P6 O24 Ir1"
_cell_length_a 8.412915
_cell_length_b 8.47702918
_cell_length_c 8.50538614
_cell_angle_alpha 62.45319165
_cell_angle_beta 62.58654536
_cell_angle_gamma 62.80725303
_sp... |
InsertBetweenAtomsAction | 0c3fef5f-14c7-474f-b430-cfd5f9b23d24 | mp-2715503 | Insert a Re atom in the line between atoms at indices 47 and 28, and the inserted atom must be 6.14 angstrom from atom at 47 in the cif file. | data_image0
_chemical_formula_structural Na12Sc4Si4Ge4P8O48
_chemical_formula_sum "Na12 Sc4 Si4 Ge4 P8 O48"
_cell_length_a 15.35080669
_cell_length_b 8.9254299
_cell_length_c 8.96443612
_cell_angle_alpha 90.0
_cell_angle_beta 125.57317330999999
_cell_angle_gamma 90.0
_spa... | data_image0
_chemical_formula_structural Na12Sc4Si4Ge4P8O48Re
_chemical_formula_sum "Na12 Sc4 Si4 Ge4 P8 O48 Re1"
_cell_length_a 15.35080669
_cell_length_b 8.9254299
_cell_length_c 8.96443612
_cell_angle_alpha 90.0
_cell_angle_beta 125.57317330999999
_cell_angle_gamma 90.0... |
InsertBetweenAtomsAction | f794b220-8f39-46ab-8343-eb626c5f9992 | mp-12885 | Insert a Rg atom in the line between atoms at indices 6 and 1, and the inserted atom must be 1.50 angstrom from atom at 6 in the cif file. | data_image0
_chemical_formula_structural BaAl2Sb2O7
_chemical_formula_sum "Ba1 Al2 Sb2 O7"
_cell_length_a 8.76911051
_cell_length_b 8.76911051
_cell_length_c 8.769110309999999
_cell_angle_alpha 36.630989769999985
_cell_angle_beta 36.63098976999998
_cell_angle_gamma 36.6309... | data_image0
_chemical_formula_structural BaAl2Sb2O7Rg
_chemical_formula_sum "Ba1 Al2 Sb2 O7 Rg1"
_cell_length_a 8.76911051
_cell_length_b 8.76911051
_cell_length_c 8.769110309999999
_cell_angle_alpha 36.630989769999985
_cell_angle_beta 36.63098976999998
_cell_angle_gamma 3... |
InsertBetweenAtomsAction | e77a4cd2-4d07-4deb-92b6-8604541772fc | mp-540706 | Insert a K atom in the line between atoms at indices 5 and 28, and the inserted atom must be 7.02 angstrom from atom at 5 in the cif file. | data_image0
_chemical_formula_structural Na4Nb8O22
_chemical_formula_sum "Na4 Nb8 O22"
_cell_length_a 12.94249259
_cell_length_b 12.94249259
_cell_length_c 12.94249272
_cell_angle_alpha 28.209280090000004
_cell_angle_beta 28.20928008999999
_cell_angle_gamma 28.20927979
_s... | data_image0
_chemical_formula_structural Na4Nb8O22K
_chemical_formula_sum "Na4 Nb8 O22 K1"
_cell_length_a 12.94249259
_cell_length_b 12.94249259
_cell_length_c 12.94249272
_cell_angle_alpha 28.209280090000004
_cell_angle_beta 28.20928008999999
_cell_angle_gamma 28.20927979... |
InsertBetweenAtomsAction | 8dcd2667-affe-4939-b633-eb1c97e01844 | mp-1588 | Insert a La atom in the line between atoms at indices 26 and 28, and the inserted atom must be 5.74 angstrom from atom at 26 in the cif file. | data_image0
_chemical_formula_structural C22F14
_chemical_formula_sum "C22 F14"
_cell_length_a 6.13417845
_cell_length_b 6.134178450000001
_cell_length_c 13.79451585
_cell_angle_alpha 85.79723518
_cell_angle_beta 85.79723518
_cell_angle_gamma 82.00049108
_space_group_name... | data_image0
_chemical_formula_structural C22F14La
_chemical_formula_sum "C22 F14 La1"
_cell_length_a 6.13417845
_cell_length_b 6.134178450000001
_cell_length_c 13.79451585
_cell_angle_alpha 85.79723518
_cell_angle_beta 85.79723518
_cell_angle_gamma 82.00049108
_space_grou... |
InsertBetweenAtomsAction | a9f90825-7a45-4b73-82d7-40394f3eeb6e | mp-1219046 | Insert a Eu atom in the line between atoms at indices 0 and 6, and the inserted atom must be 1.21 angstrom from atom at 0 in the cif file. | data_image0
_chemical_formula_structural Sn4Sb2S4I6
_chemical_formula_sum "Sn4 Sb2 S4 I6"
_cell_length_a 7.7761768
_cell_length_b 7.7761768
_cell_length_c 17.461303
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 147.68845972000003
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Sn4Sb2S4I6Eu
_chemical_formula_sum "Sn4 Sb2 S4 I6 Eu1"
_cell_length_a 7.7761768
_cell_length_b 7.7761768
_cell_length_c 17.461303
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 147.68845972000003
_space_group_name_H... |
InsertBetweenAtomsAction | 27b84058-c56c-4551-8dcd-1f7f5b355b4b | mp-1177331 | Insert a Dy atom in the line between atoms at indices 6 and 5, and the inserted atom must be 3.11 angstrom from atom at 6 in the cif file. | data_image0
_chemical_formula_structural Li4MnCrO6
_chemical_formula_sum "Li4 Mn1 Cr1 O6"
_cell_length_a 5.00452286
_cell_length_b 5.00451943
_cell_length_c 5.11410777
_cell_angle_alpha 99.90005629
_cell_angle_beta 99.8991431
_cell_angle_gamma 119.41151240999999
_space_gr... | data_image0
_chemical_formula_structural Li4MnCrO6Dy
_chemical_formula_sum "Li4 Mn1 Cr1 O6 Dy1"
_cell_length_a 5.00452286
_cell_length_b 5.00451943
_cell_length_c 5.11410777
_cell_angle_alpha 99.90005629
_cell_angle_beta 99.8991431
_cell_angle_gamma 119.41151240999999
_sp... |
InsertBetweenAtomsAction | c5b570eb-6251-4de4-b502-14d33aff6194 | mp-1028157 | Insert a Te atom in the line between atoms at indices 14 and 11, and the inserted atom must be 7.04 angstrom from atom at 14 in the cif file. | data_image0
_chemical_formula_structural Mg14MnCu
_chemical_formula_sum "Mg14 Mn1 Cu1"
_cell_length_a 6.25919308
_cell_length_b 6.25859688
_cell_length_c 9.91951243
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99685426
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Mg14MnCuTe
_chemical_formula_sum "Mg14 Mn1 Cu1 Te1"
_cell_length_a 6.25919308
_cell_length_b 6.25859688
_cell_length_c 9.91951243
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99685426
_space_group_name_H-M_alt... |
InsertBetweenAtomsAction | 4b71c669-707d-4272-809a-c918e3979fba | mp-556659 | Insert a Ar atom in the line between atoms at indices 3 and 8, and the inserted atom must be 5.01 angstrom from atom at 3 in the cif file. | data_image0
_chemical_formula_structural La12Ti4Cl20O16
_chemical_formula_sum "La12 Ti4 Cl20 O16"
_cell_length_a 4.082481
_cell_length_b 14.804852
_cell_length_c 16.954473
_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 La12Ti4Cl20O16Ar
_chemical_formula_sum "La12 Ti4 Cl20 O16 Ar1"
_cell_length_a 4.082481
_cell_length_b 14.804852
_cell_length_c 16.954473
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | 77c7728a-3a5f-46f3-9416-ca158974c9be | mp-1245478 | Insert a Pu atom in the line between atoms at indices 14 and 8, and the inserted atom must be 2.98 angstrom from atom at 14 in the cif file. | data_image0
_chemical_formula_structural Cr4Fe8N12
_chemical_formula_sum "Cr4 Fe8 N12"
_cell_length_a 5.03270613
_cell_length_b 8.67560755
_cell_length_c 9.92142101
_cell_angle_alpha 90.00000061
_cell_angle_beta 94.19564493
_cell_angle_gamma 149.5331525
_space_group_name_... | data_image0
_chemical_formula_structural Cr4Fe8N12Pu
_chemical_formula_sum "Cr4 Fe8 N12 Pu1"
_cell_length_a 5.03270613
_cell_length_b 8.67560755
_cell_length_c 9.92142101
_cell_angle_alpha 90.00000061
_cell_angle_beta 94.19564493
_cell_angle_gamma 149.5331525
_space_group... |
InsertBetweenAtomsAction | 52822e84-afc2-4b77-a638-9dae1e11dac2 | mp-1177387 | Insert a Ne atom in the line between atoms at indices 15 and 26, and the inserted atom must be 6.98 angstrom from atom at 15 in the cif file. | data_image0
_chemical_formula_structural Li8V6P16O58
_chemical_formula_sum "Li8 V6 P16 O58"
_cell_length_a 9.74315413
_cell_length_b 9.74315413
_cell_length_c 14.215037
_cell_angle_alpha 89.94735393
_cell_angle_beta 89.94735393
_cell_angle_gamma 60.01237149999999
_space_g... | data_image0
_chemical_formula_structural Li8V6P16O58Ne
_chemical_formula_sum "Li8 V6 P16 O58 Ne1"
_cell_length_a 9.74315413
_cell_length_b 9.74315413
_cell_length_c 14.215037
_cell_angle_alpha 89.94735393
_cell_angle_beta 89.94735393
_cell_angle_gamma 60.01237149999999
_s... |
InsertBetweenAtomsAction | 388697ee-f419-4439-b2fb-f68f09e589c7 | mp-753678 | Insert a Pd atom in the line between atoms at indices 0 and 10, and the inserted atom must be 4.83 angstrom from atom at 0 in the cif file. | data_image0
_chemical_formula_structural BaW6O18
_chemical_formula_sum "Ba1 W6 O18"
_cell_length_a 7.4074885
_cell_length_b 7.4074885
_cell_length_c 7.61895556
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000361000001
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural BaW6O18Pd
_chemical_formula_sum "Ba1 W6 O18 Pd1"
_cell_length_a 7.4074885
_cell_length_b 7.4074885
_cell_length_c 7.61895556
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000361000001
_space_group_name_H-M_al... |
InsertBetweenAtomsAction | 06e0f985-1a7f-4acc-8538-bd72f6fa3077 | mp-1522146 | Insert a H atom in the line between atoms at indices 20 and 23, and the inserted atom must be 2.75 angstrom from atom at 20 in the cif file. | data_image0
_chemical_formula_structural Ba4Na4Ce4Nb4O24
_chemical_formula_sum "Ba4 Na4 Ce4 Nb4 O24"
_cell_length_a 8.50927686
_cell_length_b 8.52224338
_cell_length_c 8.47541748
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Ba4Na4Ce4Nb4O24H
_chemical_formula_sum "Ba4 Na4 Ce4 Nb4 O24 H1"
_cell_length_a 8.50927686
_cell_length_b 8.52224338
_cell_length_c 8.47541748
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M... |
InsertBetweenAtomsAction | a1422bc9-43ab-4f5c-99fd-95fcfbd21776 | mp-1111777 | Insert a Fl atom in the line between atoms at indices 1 and 8, and the inserted atom must be 0.59 angstrom from atom at 1 in the cif file. | data_image0
_chemical_formula_structural CsRb2SbCl6
_chemical_formula_sum "Cs1 Rb2 Sb1 Cl6"
_cell_length_a 8.36523586
_cell_length_b 8.36523586
_cell_length_c 8.36523586
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999... | data_image0
_chemical_formula_structural CsRb2SbCl6Fl
_chemical_formula_sum "Cs1 Rb2 Sb1 Cl6 Fl1"
_cell_length_a 8.36523586
_cell_length_b 8.36523586
_cell_length_c 8.36523586
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999... |
InsertBetweenAtomsAction | 2c21e018-896b-4812-8fd0-f491da701d1f | mp-760791 | Insert a Ds atom in the line between atoms at indices 39 and 20, and the inserted atom must be 1.18 angstrom from atom at 39 in the cif file. | data_image0
_chemical_formula_structural Li8Cu10F34
_chemical_formula_sum "Li8 Cu10 F34"
_cell_length_a 6.453074
_cell_length_b 9.49745902
_cell_length_c 11.37776213
_cell_angle_alpha 103.388009
_cell_angle_beta 94.93763275
_cell_angle_gamma 109.50856340999998
_space_grou... | data_image0
_chemical_formula_structural Li8Cu10F34Ds
_chemical_formula_sum "Li8 Cu10 F34 Ds1"
_cell_length_a 6.453074
_cell_length_b 9.49745902
_cell_length_c 11.37776213
_cell_angle_alpha 103.388009
_cell_angle_beta 94.93763275
_cell_angle_gamma 109.50856340999998
_spac... |
InsertBetweenAtomsAction | a0fcb775-f94a-47fc-8241-c93c3b634388 | mp-1236434 | Insert a Sc atom in the line between atoms at indices 8 and 10, and the inserted atom must be 3.64 angstrom from atom at 8 in the cif file. | data_image0
_chemical_formula_structural Sr4LiMn2Cu3S4O4
_chemical_formula_sum "Sr4 Li1 Mn2 Cu3 S4 O4"
_cell_length_a 5.91148118
_cell_length_b 5.90005843
_cell_length_c 9.35569443
_cell_angle_alpha 91.18388019999999
_cell_angle_beta 71.59014073
_cell_angle_gamma 93.837192... | data_image0
_chemical_formula_structural Sr4LiMn2Cu3S4O4Sc
_chemical_formula_sum "Sr4 Li1 Mn2 Cu3 S4 O4 Sc1"
_cell_length_a 5.91148118
_cell_length_b 5.90005843
_cell_length_c 9.35569443
_cell_angle_alpha 91.18388019999999
_cell_angle_beta 71.59014073
_cell_angle_gamma 93.... |
InsertBetweenAtomsAction | 1a1166f9-84b4-4680-8c28-7872d42ab2de | mp-766011 | Insert a Ce atom in the line between atoms at indices 0 and 2, and the inserted atom must be 1.62 angstrom from atom at 0 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 Li3VCrP2H2O10Ce
_chemical_formula_sum "Li3 V1 Cr1 P2 H2 O10 Ce1"
_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 | 038e8d11-69cf-467f-9c2f-aadb4712176c | mp-1193261 | Insert a Ge atom in the line between atoms at indices 26 and 10, and the inserted atom must be 0.64 angstrom from atom at 26 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 Cs4H4C4N8O8Ge
_chemical_formula_sum "Cs4 H4 C4 N8 O8 Ge1"
_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 | ef7d2f65-8feb-4968-8cb3-07c08e312492 | mp-600154 | Insert a Nh atom in the line between atoms at indices 6 and 50, and the inserted atom must be 1.80 angstrom from atom at 6 in the cif file. | data_image0
_chemical_formula_structural K4Cu2H16C8O24
_chemical_formula_sum "K4 Cu2 H16 C8 O24"
_cell_length_a 14.876185
_cell_length_b 3.89234
_cell_length_c 11.41313892
_cell_angle_alpha 73.48774049999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H... | data_image0
_chemical_formula_structural K4Cu2H16C8O24Nh
_chemical_formula_sum "K4 Cu2 H16 C8 O24 Nh1"
_cell_length_a 14.876185
_cell_length_b 3.89234
_cell_length_c 11.41313892
_cell_angle_alpha 73.48774049999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_... |
InsertBetweenAtomsAction | 868a2541-0ed0-4608-bd2a-deaadc0ef89f | mp-1173945 | Insert a Kr atom in the line between atoms at indices 0 and 15, and the inserted atom must be 1.71 angstrom from atom at 0 in the cif file. | data_image0
_chemical_formula_structural Li6Mn4O10
_chemical_formula_sum "Li6 Mn4 O10"
_cell_length_a 2.88677384
_cell_length_b 9.87527634
_cell_length_c 6.744225100000001
_cell_angle_alpha 103.09512629
_cell_angle_beta 77.64228958
_cell_angle_gamma 90.00187715
_space_gro... | data_image0
_chemical_formula_structural Li6Mn4O10Kr
_chemical_formula_sum "Li6 Mn4 O10 Kr1"
_cell_length_a 2.88677384
_cell_length_b 9.87527634
_cell_length_c 6.744225100000001
_cell_angle_alpha 103.09512629
_cell_angle_beta 77.64228958
_cell_angle_gamma 90.00187715
_spa... |
InsertBetweenAtomsAction | a32416cc-1af9-4f56-91e0-7280f53a2ee4 | mp-1110982 | Insert a Cf atom in the line between atoms at indices 2 and 0, and the inserted atom must be 1.22 angstrom from atom at 2 in the cif file. | data_image0
_chemical_formula_structural Cs2NaCeF6
_chemical_formula_sum "Cs2 Na1 Ce1 F6"
_cell_length_a 6.63440109
_cell_length_b 6.63440109
_cell_length_c 6.63440109
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999999999999... | data_image0
_chemical_formula_structural Cs2NaCeF6Cf
_chemical_formula_sum "Cs2 Na1 Ce1 F6 Cf1"
_cell_length_a 6.63440109
_cell_length_b 6.63440109
_cell_length_c 6.63440109
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999999... |
InsertBetweenAtomsAction | c68bb2e1-364b-4044-95b6-9d62c04e7374 | mp-1034441 | Insert a Pb atom in the line between atoms at indices 15 and 4, and the inserted atom must be 3.21 angstrom from atom at 15 in the cif file. | data_image0
_chemical_formula_structural Mg14CrSnO16
_chemical_formula_sum "Mg14 Cr1 Sn1 O16"
_cell_length_a 8.7697254
_cell_length_b 8.66107133
_cell_length_c 4.36215442
_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 Mg14CrSnO16Pb
_chemical_formula_sum "Mg14 Cr1 Sn1 O16 Pb1"
_cell_length_a 8.7697254
_cell_length_b 8.66107133
_cell_length_c 4.36215442
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | a707d4c1-4a66-4edf-ad71-1439c29a8054 | mp-18288 | Insert a Os atom in the line between atoms at indices 4 and 11, and the inserted atom must be 2.51 angstrom from atom at 4 in the cif file. | data_image0
_chemical_formula_structural Ti4Sn8O16
_chemical_formula_sum "Ti4 Sn8 O16"
_cell_length_a 8.53328795
_cell_length_b 8.53328795
_cell_length_c 5.93015972
_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 Ti4Sn8O16Os
_chemical_formula_sum "Ti4 Sn8 O16 Os1"
_cell_length_a 8.53328795
_cell_length_b 8.53328795
_cell_length_c 5.93015972
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
InsertBetweenAtomsAction | 90725df4-5da9-496b-9e78-690fd071621e | mp-1520090 | Insert a No atom in the line between atoms at indices 5 and 15, and the inserted atom must be 2.36 angstrom from atom at 5 in the cif file. | data_image0
_chemical_formula_structural LiLaFe4O12
_chemical_formula_sum "Li1 La1 Fe4 O12"
_cell_length_a 5.25865836
_cell_length_b 5.25865836
_cell_length_c 7.74007929
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 91.18608768000001
_space_group_name_H-M... | data_image0
_chemical_formula_structural LiLaFe4O12No
_chemical_formula_sum "Li1 La1 Fe4 O12 No1"
_cell_length_a 5.25865836
_cell_length_b 5.25865836
_cell_length_c 7.74007929
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 91.18608768000001
_space_group_na... |
InsertBetweenAtomsAction | 89403538-4b8e-48b1-b154-2145693ba258 | mp-1100809 | Insert a Rf atom in the line between atoms at indices 1 and 3, and the inserted atom must be 11.57 angstrom from atom at 1 in the cif file. | data_image0
_chemical_formula_structural Zr3Cu6Cl18
_chemical_formula_sum "Zr3 Cu6 Cl18"
_cell_length_a 11.35578116
_cell_length_b 10.99052115
_cell_length_c 6.05785421
_cell_angle_alpha 90.19196004
_cell_angle_beta 90.67373892
_cell_angle_gamma 120.31682264999999
_space_... | data_image0
_chemical_formula_structural Zr3Cu6Cl18Rf
_chemical_formula_sum "Zr3 Cu6 Cl18 Rf1"
_cell_length_a 11.35578116
_cell_length_b 10.99052115
_cell_length_c 6.05785421
_cell_angle_alpha 90.19196004
_cell_angle_beta 90.67373892
_cell_angle_gamma 120.31682264999999
_... |
InsertBetweenAtomsAction | c88c33f8-e343-4f35-8e2d-0d2c838b1ec0 | mp-1030723 | Insert a Fr atom in the line between atoms at indices 4 and 10, and the inserted atom must be 0.97 angstrom from atom at 4 in the cif file. | data_image0
_chemical_formula_structural Te2Mo3WSe2S4
_chemical_formula_sum "Te2 Mo3 W1 Se2 S4"
_cell_length_a 3.3072276
_cell_length_b 3.3072276
_cell_length_c 37.574663
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999196
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Te2Mo3WSe2S4Fr
_chemical_formula_sum "Te2 Mo3 W1 Se2 S4 Fr1"
_cell_length_a 3.3072276
_cell_length_b 3.3072276
_cell_length_c 37.574663
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999196
_space_group_name_H... |
InsertBetweenAtomsAction | 07a4da1b-52f2-4400-8a4d-a20894e27c84 | mp-1195679 | Insert a Ge atom in the line between atoms at indices 36 and 18, and the inserted atom must be 1.18 angstrom from atom at 36 in the cif file. | data_image0
_chemical_formula_structural Cs4Th2Si12O30
_chemical_formula_sum "Cs4 Th2 Si12 O30"
_cell_length_a 7.31475292
_cell_length_b 9.02903799
_cell_length_c 13.67658044
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 113.89540632
_space_group_name_H-M... | data_image0
_chemical_formula_structural Cs4Th2Si12O30Ge
_chemical_formula_sum "Cs4 Th2 Si12 O30 Ge1"
_cell_length_a 7.31475292
_cell_length_b 9.02903799
_cell_length_c 13.67658044
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 113.89540632
_space_group_na... |
InsertBetweenAtomsAction | f1604121-fe57-40a5-9dbe-1618d3aafb6b | mp-3855 | Insert a Pa atom in the line between atoms at indices 3 and 11, and the inserted atom must be 3.63 angstrom from atom at 3 in the cif file. | data_image0
_chemical_formula_structural Na8Be4F16
_chemical_formula_sum "Na8 Be4 F16"
_cell_length_a 7.91401356
_cell_length_b 5.50453165
_cell_length_c 8.73089148
_cell_angle_alpha 61.61105424
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Na8Be4F16Pa
_chemical_formula_sum "Na8 Be4 F16 Pa1"
_cell_length_a 7.91401356
_cell_length_b 5.50453165
_cell_length_c 8.73089148
_cell_angle_alpha 61.61105424
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | 76b3cba7-3066-4c12-8bb7-0c13cac65a4a | mp-1224658 | Insert a Mg atom in the line between atoms at indices 26 and 24, and the inserted atom must be 3.28 angstrom from atom at 26 in the cif file. | data_image0
_chemical_formula_structural Ho4Fe34C2
_chemical_formula_sum "Ho4 Fe34 C2"
_cell_length_a 8.249865
_cell_length_b 8.5140411
_cell_length_c 8.53877109
_cell_angle_alpha 119.90410991000002
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ho4Fe34C2Mg
_chemical_formula_sum "Ho4 Fe34 C2 Mg1"
_cell_length_a 8.249865
_cell_length_b 8.5140411
_cell_length_c 8.53877109
_cell_angle_alpha 119.90410991000002
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... |
InsertBetweenAtomsAction | d5604324-808f-4867-a715-a22875638b33 | mp-765689 | Insert a Cf atom in the line between atoms at indices 8 and 11, and the inserted atom must be 3.16 angstrom from atom at 8 in the cif file. | data_image0
_chemical_formula_structural Li8Co6O4F12
_chemical_formula_sum "Li8 Co6 O4 F12"
_cell_length_a 5.26384155
_cell_length_b 5.94325295
_cell_length_c 10.44901011
_cell_angle_alpha 89.02161268999998
_cell_angle_beta 80.05865371
_cell_angle_gamma 72.16652366999999
... | data_image0
_chemical_formula_structural Li8Co6O4F12Cf
_chemical_formula_sum "Li8 Co6 O4 F12 Cf1"
_cell_length_a 5.26384155
_cell_length_b 5.94325295
_cell_length_c 10.44901011
_cell_angle_alpha 89.02161268999998
_cell_angle_beta 80.05865371
_cell_angle_gamma 72.1665236699... |
InsertBetweenAtomsAction | 17e9637d-4070-4ad0-bcda-43929c5f57ab | mp-628715 | Insert a K atom in the line between atoms at indices 16 and 12, and the inserted atom must be 3.89 angstrom from atom at 16 in the cif file. | data_image0
_chemical_formula_structural K4Eu4P4Se16
_chemical_formula_sum "K4 Eu4 P4 Se16"
_cell_length_a 6.82166288
_cell_length_b 6.9404548
_cell_length_c 17.42114529
_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 K4Eu4P4Se16K
_chemical_formula_sum "K5 Eu4 P4 Se16"
_cell_length_a 6.82166288
_cell_length_b 6.9404548
_cell_length_c 17.42114529
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
InsertBetweenAtomsAction | 2b3b3704-25a2-4e41-9377-ec2a0c95ed99 | mp-510604 | Insert a No atom in the line between atoms at indices 32 and 1, and the inserted atom must be 3.64 angstrom from atom at 32 in the cif file. | data_image0
_chemical_formula_structural Mn32O48
_chemical_formula_sum "Mn32 O48"
_cell_length_a 9.41886143
_cell_length_b 9.42071325
_cell_length_c 9.41927971
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_gr... | data_image0
_chemical_formula_structural Mn32O48No
_chemical_formula_sum "Mn32 O48 No1"
_cell_length_a 9.41886143
_cell_length_b 9.42071325
_cell_length_c 9.41927971
_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 | 456911eb-0c30-4785-a857-d99ee085a0c4 | mp-1209619 | Insert a Nh atom in the line between atoms at indices 1 and 8, and the inserted atom must be 1.95 angstrom from atom at 1 in the cif file. | data_image0
_chemical_formula_structural Rb3BiF6
_chemical_formula_sum "Rb3 Bi1 F6"
_cell_length_a 9.12802713
_cell_length_b 7.31655097
_cell_length_c 7.31291915
_cell_angle_alpha 75.48950384
_cell_angle_beta 111.71785302000002
_cell_angle_gamma 128.61156764
_space_group_... | data_image0
_chemical_formula_structural Rb3BiF6Nh
_chemical_formula_sum "Rb3 Bi1 F6 Nh1"
_cell_length_a 9.12802713
_cell_length_b 7.31655097
_cell_length_c 7.31291915
_cell_angle_alpha 75.48950384
_cell_angle_beta 111.71785302000002
_cell_angle_gamma 128.61156764
_space_... |
InsertBetweenAtomsAction | 363644f7-21cb-47d4-99e2-8915961b24bc | mp-1176176 | Insert a La atom in the line between atoms at indices 12 and 11, and the inserted atom must be 3.53 angstrom from atom at 12 in the cif file. | data_image0
_chemical_formula_structural Li9Mn2Co5O16
_chemical_formula_sum "Li9 Mn2 Co5 O16"
_cell_length_a 3.02272
_cell_length_b 9.76787124
_cell_length_c 9.98994925
_cell_angle_alpha 87.31177365
_cell_angle_beta 88.3866931
_cell_angle_gamma 82.58774870000002
_space_gr... | data_image0
_chemical_formula_structural Li9Mn2Co5O16La
_chemical_formula_sum "Li9 Mn2 Co5 O16 La1"
_cell_length_a 3.02272
_cell_length_b 9.76787124
_cell_length_c 9.98994925
_cell_angle_alpha 87.31177365
_cell_angle_beta 88.3866931
_cell_angle_gamma 82.58774870000002
_sp... |
InsertBetweenAtomsAction | 0b71bd36-87ed-462c-9892-c14b61961a59 | mp-1193514 | Insert a Pr atom in the line between atoms at indices 17 and 14, and the inserted atom must be 2.85 angstrom from atom at 17 in the cif file. | data_image0
_chemical_formula_structural Sr2V6O22
_chemical_formula_sum "Sr2 V6 O22"
_cell_length_a 11.228262
_cell_length_b 5.289352
_cell_length_c 9.07300453
_cell_angle_alpha 86.99417824
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_s... | data_image0
_chemical_formula_structural Sr2V6O22Pr
_chemical_formula_sum "Sr2 V6 O22 Pr1"
_cell_length_a 11.228262
_cell_length_b 5.289352
_cell_length_c 9.07300453
_cell_angle_alpha 86.99417824
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... |
InsertBetweenAtomsAction | b84a805c-9113-471c-a982-276e2f584eb0 | mp-735491 | Insert a Ra atom in the line between atoms at indices 7 and 30, and the inserted atom must be 8.50 angstrom from atom at 7 in the cif file. | data_image0
_chemical_formula_structural CaMg2H24Cl6O12
_chemical_formula_sum "Ca1 Mg2 H24 Cl6 O12"
_cell_length_a 8.277824
_cell_length_b 8.954916900000002
_cell_length_c 13.061188509999997
_cell_angle_alpha 106.75466694
_cell_angle_beta 90.4882698
_cell_angle_gamma 107.1... | data_image0
_chemical_formula_structural CaMg2H24Cl6O12Ra
_chemical_formula_sum "Ca1 Mg2 H24 Cl6 O12 Ra1"
_cell_length_a 8.277824
_cell_length_b 8.954916900000002
_cell_length_c 13.061188509999997
_cell_angle_alpha 106.75466694
_cell_angle_beta 90.4882698
_cell_angle_gamma ... |
InsertBetweenAtomsAction | e6441664-5acc-4ebf-8b4a-8e83ff0244d8 | mp-28118 | Insert a Co atom in the line between atoms at indices 8 and 10, and the inserted atom must be 7.41 angstrom from atom at 8 in the cif file. | data_image0
_chemical_formula_structural Al2Sb2I12
_chemical_formula_sum "Al2 Sb2 I12"
_cell_length_a 7.51513469
_cell_length_b 10.55020765
_cell_length_c 10.55020827
_cell_angle_alpha 79.31177768
_cell_angle_beta 70.49784906
_cell_angle_gamma 70.49784278
_space_group_nam... | data_image0
_chemical_formula_structural Al2Sb2I12Co
_chemical_formula_sum "Al2 Sb2 I12 Co1"
_cell_length_a 7.51513469
_cell_length_b 10.55020765
_cell_length_c 10.55020827
_cell_angle_alpha 79.31177768
_cell_angle_beta 70.49784906
_cell_angle_gamma 70.49784278
_space_gro... |
InsertBetweenAtomsAction | 9aff893a-3454-40a5-bfd2-ccd958de8024 | mp-1201107 | Insert a Ho atom in the line between atoms at indices 60 and 25, and the inserted atom must be 3.46 angstrom from atom at 60 in the cif file. | data_image0
_chemical_formula_structural Zn2B20H52O16
_chemical_formula_sum "Zn2 B20 H52 O16"
_cell_length_a 6.908729
_cell_length_b 7.43949478
_cell_length_c 18.47887034
_cell_angle_alpha 80.44130898999998
_cell_angle_beta 79.22597710000001
_cell_angle_gamma 62.3332663499... | data_image0
_chemical_formula_structural Zn2B20H52O16Ho
_chemical_formula_sum "Zn2 B20 H52 O16 Ho1"
_cell_length_a 6.908729
_cell_length_b 7.43949478
_cell_length_c 18.47887034
_cell_angle_alpha 80.44130898999998
_cell_angle_beta 79.22597710000001
_cell_angle_gamma 62.3332... |
InsertBetweenAtomsAction | 89e52177-49aa-4dbb-a9dd-42893d138605 | mp-2232505 | Insert a Th atom in the line between atoms at indices 3 and 8, and the inserted atom must be 5.58 angstrom from atom at 3 in the cif file. | data_image0
_chemical_formula_structural Ba2YMgFe3O8
_chemical_formula_sum "Ba2 Y1 Mg1 Fe3 O8"
_cell_length_a 3.98973126
_cell_length_b 3.98972678
_cell_length_c 15.18140131
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Ba2YMgFe3O8Th
_chemical_formula_sum "Ba2 Y1 Mg1 Fe3 O8 Th1"
_cell_length_a 3.98973126
_cell_length_b 3.98972678
_cell_length_c 15.18140131
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_al... |
InsertBetweenAtomsAction | 9290a80c-d238-4ea9-b3db-5b784c2b0c81 | mp-1205853 | Insert a K atom in the line between atoms at indices 8 and 1, and the inserted atom must be 0.64 angstrom from atom at 8 in the cif file. | data_image0
_chemical_formula_structural Nd4In2Au4
_chemical_formula_sum "Nd4 In2 Au4"
_cell_length_a 8.04285031
_cell_length_b 8.04285031
_cell_length_c 3.92047908
_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 Nd4In2Au4K
_chemical_formula_sum "Nd4 In2 Au4 K1"
_cell_length_a 8.04285031
_cell_length_b 8.04285031
_cell_length_c 3.92047908
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... |
InsertBetweenAtomsAction | b8a9ba9d-0e7b-4380-813d-cabc88fff6b4 | mp-636519 | Insert a W atom in the line between atoms at indices 8 and 5, and the inserted atom must be 5.48 angstrom from atom at 8 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 Ni2Rh4O8W
_chemical_formula_sum "Ni2 Rh4 O8 W1"
_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_n... |
InsertBetweenAtomsAction | 4ebcb836-c33d-4335-97f3-488005a27485 | mp-20268 | Insert a Cl atom in the line between atoms at indices 1 and 5, and the inserted atom must be 1.01 angstrom from atom at 1 in the cif file. | data_image0
_chemical_formula_structural Ti4Ge4Pd4
_chemical_formula_sum "Ti4 Ge4 Pd4"
_cell_length_a 3.84471038
_cell_length_b 6.4022481
_cell_length_c 7.552176479999999
_cell_angle_alpha 89.99749709
_cell_angle_beta 89.99999969999999
_cell_angle_gamma 89.99999966999998
... | data_image0
_chemical_formula_structural Ti4Ge4Pd4Cl
_chemical_formula_sum "Ti4 Ge4 Pd4 Cl1"
_cell_length_a 3.84471038
_cell_length_b 6.4022481
_cell_length_c 7.552176479999999
_cell_angle_alpha 89.99749709
_cell_angle_beta 89.99999969999999
_cell_angle_gamma 89.9999996699... |
InsertBetweenAtomsAction | 5161596b-0b68-4d49-98a5-6edb8c5a50d1 | mp-2235569 | Insert a Rb atom in the line between atoms at indices 10 and 4, and the inserted atom must be 5.94 angstrom from atom at 10 in the cif file. | data_image0
_chemical_formula_structural Sr3Co2Cu2S2O5
_chemical_formula_sum "Sr3 Co2 Cu2 S2 O5"
_cell_length_a 3.9132808
_cell_length_b 3.91392552
_cell_length_c 13.8699461
_cell_angle_alpha 97.98614465
_cell_angle_beta 98.19198951999999
_cell_angle_gamma 90.06672837
_sp... | data_image0
_chemical_formula_structural Sr3Co2Cu2S2O5Rb
_chemical_formula_sum "Sr3 Co2 Cu2 S2 O5 Rb1"
_cell_length_a 3.9132808
_cell_length_b 3.91392552
_cell_length_c 13.8699461
_cell_angle_alpha 97.98614465
_cell_angle_beta 98.19198951999999
_cell_angle_gamma 90.0667283... |
InsertBetweenAtomsAction | 333b1970-c36a-4d22-8f8b-bf98bc97e551 | mp-1028272 | Insert a Sn atom in the line between atoms at indices 7 and 12, and the inserted atom must be 5.30 angstrom from atom at 7 in the cif file. | data_image0
_chemical_formula_structural Mg14TiSn
_chemical_formula_sum "Mg14 Ti1 Sn1"
_cell_length_a 6.3142147
_cell_length_b 6.314214199999999
_cell_length_c 10.3878148
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000260999998
_space_group_name_H... | data_image0
_chemical_formula_structural Mg14TiSn2
_chemical_formula_sum "Mg14 Ti1 Sn2"
_cell_length_a 6.3142147
_cell_length_b 6.314214199999999
_cell_length_c 10.3878148
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000260999998
_space_group_name_... |
InsertBetweenAtomsAction | 985aa3ec-70a9-47b2-bb18-b0cb50f7a355 | mp-1238117 | Insert a Cl atom in the line between atoms at indices 25 and 7, and the inserted atom must be 6.10 angstrom from atom at 25 in the cif file. | data_image0
_chemical_formula_structural Hg2H8C24O6F16
_chemical_formula_sum "Hg2 H8 C24 O6 F16"
_cell_length_a 7.394295
_cell_length_b 8.291968700000002
_cell_length_c 11.727832569999999
_cell_angle_alpha 89.76842636
_cell_angle_beta 99.53525166
_cell_angle_gamma 99.99777... | data_image0
_chemical_formula_structural Hg2H8C24O6F16Cl
_chemical_formula_sum "Hg2 H8 C24 O6 F16 Cl1"
_cell_length_a 7.394295
_cell_length_b 8.291968700000002
_cell_length_c 11.727832569999999
_cell_angle_alpha 89.76842636
_cell_angle_beta 99.53525166
_cell_angle_gamma 99... |
InsertBetweenAtomsAction | 0f0c82a7-76b3-41e3-8c48-2edec25cb68a | mp-608551 | Insert a Mc atom in the line between atoms at indices 7 and 5, and the inserted atom must be 7.30 angstrom from atom at 7 in the cif file. | data_image0
_chemical_formula_structural Ti2Al4Br16
_chemical_formula_sum "Ti2 Al4 Br16"
_cell_length_a 6.402735
_cell_length_b 10.46939
_cell_length_c 13.512877
_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 Ti2Al4Br16Mc
_chemical_formula_sum "Ti2 Al4 Br16 Mc1"
_cell_length_a 6.402735
_cell_length_b 10.46939
_cell_length_c 13.512877
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
InsertBetweenAtomsAction | 995d6f5c-fd5a-4c9a-9c4b-52bf89e177a0 | mp-1219192 | Insert a Fl atom in the line between atoms at indices 19 and 11, and the inserted atom must be 4.55 angstrom from atom at 19 in the cif file. | data_image0
_chemical_formula_structural SmErTi2Fe16Co6
_chemical_formula_sum "Sm1 Er1 Ti2 Fe16 Co6"
_cell_length_a 4.711358
_cell_length_b 6.4268911
_cell_length_c 11.94269413
_cell_angle_alpha 90.00254284
_cell_angle_beta 90.0
_cell_angle_gamma 111.50206514
_space_group... | data_image0
_chemical_formula_structural SmErTi2Fe16Co6Fl
_chemical_formula_sum "Sm1 Er1 Ti2 Fe16 Co6 Fl1"
_cell_length_a 4.711358
_cell_length_b 6.4268911
_cell_length_c 11.94269413
_cell_angle_alpha 90.00254284
_cell_angle_beta 90.0
_cell_angle_gamma 111.50206514
_space... |
InsertBetweenAtomsAction | 62b4ab32-3f8d-4938-a2fd-d222dd4cf902 | mp-1517276 | Insert a Lv atom in the line between atoms at indices 0 and 8, and the inserted atom must be 3.47 angstrom from atom at 0 in the cif file. | data_image0
_chemical_formula_structural KPrYSbO6
_chemical_formula_sum "K1 Pr1 Y1 Sb1 O6"
_cell_length_a 5.91217212
_cell_length_b 5.91217212
_cell_length_c 5.91217212
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999... | data_image0
_chemical_formula_structural KPrYSbO6Lv
_chemical_formula_sum "K1 Pr1 Y1 Sb1 O6 Lv1"
_cell_length_a 5.91217212
_cell_length_b 5.91217212
_cell_length_c 5.91217212
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999... |
InsertBetweenAtomsAction | aa1b70a2-ee3d-468e-aae4-8501b352768c | mp-1246768 | Insert a Xe atom in the line between atoms at indices 16 and 21, and the inserted atom must be 1.98 angstrom from atom at 16 in the cif file. | data_image0
_chemical_formula_structural Sn10Ge4N12
_chemical_formula_sum "Sn10 Ge4 N12"
_cell_length_a 5.74280682
_cell_length_b 7.10310896
_cell_length_c 14.77184992
_cell_angle_alpha 90.00000047
_cell_angle_beta 94.04329665999998
_cell_angle_gamma 128.20196312
_space_g... | data_image0
_chemical_formula_structural Sn10Ge4N12Xe
_chemical_formula_sum "Sn10 Ge4 N12 Xe1"
_cell_length_a 5.74280682
_cell_length_b 7.10310896
_cell_length_c 14.77184992
_cell_angle_alpha 90.00000047
_cell_angle_beta 94.04329665999998
_cell_angle_gamma 128.20196312
_s... |
InsertBetweenAtomsAction | a30f6b86-74c2-4a55-8942-f66b4aaef3c4 | mp-755923 | Insert a He atom in the line between atoms at indices 14 and 11, and the inserted atom must be 1.12 angstrom from atom at 14 in the cif file. | data_image0
_chemical_formula_structural Fe6O7F5
_chemical_formula_sum "Fe6 O7 F5"
_cell_length_a 5.67210132
_cell_length_b 5.6721013199999994
_cell_length_c 7.677123809999999
_cell_angle_alpha 68.84161360999998
_cell_angle_beta 68.84161361
_cell_angle_gamma 69.79104959
_... | data_image0
_chemical_formula_structural Fe6O7F5He
_chemical_formula_sum "Fe6 O7 F5 He1"
_cell_length_a 5.67210132
_cell_length_b 5.6721013199999994
_cell_length_c 7.677123809999999
_cell_angle_alpha 68.84161360999998
_cell_angle_beta 68.84161361
_cell_angle_gamma 69.79104... |
InsertBetweenAtomsAction | a647afce-5c26-46d3-9253-af17e150b5a0 | mp-1195679 | Insert a Db atom in the line between atoms at indices 44 and 26, and the inserted atom must be 1.88 angstrom from atom at 44 in the cif file. | data_image0
_chemical_formula_structural Cs4Th2Si12O30
_chemical_formula_sum "Cs4 Th2 Si12 O30"
_cell_length_a 7.31475292
_cell_length_b 9.02903799
_cell_length_c 13.67658044
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 113.89540632
_space_group_name_H-M... | data_image0
_chemical_formula_structural Cs4Th2Si12O30Db
_chemical_formula_sum "Cs4 Th2 Si12 O30 Db1"
_cell_length_a 7.31475292
_cell_length_b 9.02903799
_cell_length_c 13.67658044
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 113.89540632
_space_group_na... |
InsertBetweenAtomsAction | 486e42b3-3a4a-44c9-b2bb-f6a372f3afc0 | mp-1035335 | Insert a Co atom in the line between atoms at indices 5 and 8, and the inserted atom must be 3.95 angstrom from atom at 5 in the cif file. | data_image0
_chemical_formula_structural Mg14TiCuO16
_chemical_formula_sum "Mg14 Ti1 Cu1 O16"
_cell_length_a 8.57209372
_cell_length_b 8.61892722
_cell_length_c 4.23942272
_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 Mg14TiCuO16Co
_chemical_formula_sum "Mg14 Ti1 Cu1 O16 Co1"
_cell_length_a 8.57209372
_cell_length_b 8.61892722
_cell_length_c 4.23942272
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | 5e6ba300-5fdc-4260-a67e-5bbbbe057396 | mp-569221 | Insert a Li atom in the line between atoms at indices 10 and 11, and the inserted atom must be 1.04 angstrom from atom at 10 in the cif file. | data_image0
_chemical_formula_structural Sm2C12N18
_chemical_formula_sum "Sm2 C12 N18"
_cell_length_a 7.10072599
_cell_length_b 7.10072599
_cell_length_c 10.592717
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 113.80041197
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Sm2C12N18Li
_chemical_formula_sum "Sm2 C12 N18 Li1"
_cell_length_a 7.10072599
_cell_length_b 7.10072599
_cell_length_c 10.592717
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 113.80041197
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | 538a1aca-89a3-490a-b850-be5c73bcd980 | mp-1522640 | Insert a Bh atom in the line between atoms at indices 6 and 0, and the inserted atom must be 0.99 angstrom from atom at 6 in the cif file. | data_image0
_chemical_formula_structural CaCeEuGeO6
_chemical_formula_sum "Ca1 Ce1 Eu1 Ge1 O6"
_cell_length_a 5.86875998
_cell_length_b 5.86875998
_cell_length_c 5.86875998
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999... | data_image0
_chemical_formula_structural CaCeEuGeO6Bh
_chemical_formula_sum "Ca1 Ce1 Eu1 Ge1 O6 Bh1"
_cell_length_a 5.86875998
_cell_length_b 5.86875998
_cell_length_c 5.86875998
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99... |
InsertBetweenAtomsAction | 50ff319a-a118-43c8-ae64-018dab45f040 | mp-1239174 | Insert a Ds atom in the line between atoms at indices 5 and 27, and the inserted atom must be 0.60 angstrom from atom at 5 in the cif file. | data_image0
_chemical_formula_structural Ti4Cr4Cu4S16
_chemical_formula_sum "Ti4 Cr4 Cu4 S16"
_cell_length_a 5.730751
_cell_length_b 7.036218
_cell_length_c 11.880694
_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 Ti4Cr4Cu4S16Ds
_chemical_formula_sum "Ti4 Cr4 Cu4 S16 Ds1"
_cell_length_a 5.730751
_cell_length_b 7.036218
_cell_length_c 11.880694
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... |
InsertBetweenAtomsAction | 8a8a8ef7-63a1-4fac-b836-a03dd91f2528 | mp-29429 | Insert a Ba atom in the line between atoms at indices 32 and 21, and the inserted atom must be 1.81 angstrom from atom at 32 in the cif file. | data_image0
_chemical_formula_structural Te8C8F24
_chemical_formula_sum "Te8 C8 F24"
_cell_length_a 11.794863
_cell_length_b 7.034608
_cell_length_c 10.44832753
_cell_angle_alpha 79.14750964
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... | data_image0
_chemical_formula_structural Te8C8F24Ba
_chemical_formula_sum "Te8 C8 F24 Ba1"
_cell_length_a 11.794863
_cell_length_b 7.034608
_cell_length_c 10.44832753
_cell_angle_alpha 79.14750964
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... |
InsertBetweenAtomsAction | 2d3dcadb-6ae0-4fda-8d3c-a1556361f152 | mp-1022061 | Insert a Cd atom in the line between atoms at indices 14 and 7, and the inserted atom must be 1.03 angstrom from atom at 14 in the cif file. | data_image0
_chemical_formula_structural La2Mg12Ni2
_chemical_formula_sum "La2 Mg12 Ni2"
_cell_length_a 4.834803
_cell_length_b 6.266038
_cell_length_c 12.206856
_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 La2Mg12Ni2Cd
_chemical_formula_sum "La2 Mg12 Ni2 Cd1"
_cell_length_a 4.834803
_cell_length_b 6.266038
_cell_length_c 12.206856
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
InsertBetweenAtomsAction | 9a5116a2-2fa6-4a7a-a982-3877ed07236f | mp-866339 | Insert a Po atom in the line between atoms at indices 24 and 6, and the inserted atom must be 3.84 angstrom from atom at 24 in the cif file. | data_image0
_chemical_formula_structural Cd4P8O24
_chemical_formula_sum "Cd4 P8 O24"
_cell_length_a 7.57599934
_cell_length_b 7.575999340000001
_cell_length_c 10.44956844
_cell_angle_alpha 65.96801028
_cell_angle_beta 65.96801028
_cell_angle_gamma 69.68253712999999
_space... | data_image0
_chemical_formula_structural Cd4P8O24Po
_chemical_formula_sum "Cd4 P8 O24 Po1"
_cell_length_a 7.57599934
_cell_length_b 7.575999340000001
_cell_length_c 10.44956844
_cell_angle_alpha 65.96801028
_cell_angle_beta 65.96801028
_cell_angle_gamma 69.68253712999999
... |
InsertBetweenAtomsAction | b9ec4f71-20ed-4546-bced-e04391692234 | mp-849652 | Insert a Er atom in the line between atoms at indices 11 and 2, and the inserted atom must be 1.46 angstrom from atom at 11 in the cif file. | data_image0
_chemical_formula_structural Li3Ti2Cu3O10
_chemical_formula_sum "Li3 Ti2 Cu3 O10"
_cell_length_a 5.13238304
_cell_length_b 5.31639157
_cell_length_c 7.72914503
_cell_angle_alpha 108.38343907
_cell_angle_beta 98.14914850000001
_cell_angle_gamma 104.26349796
_sp... | data_image0
_chemical_formula_structural Li3Ti2Cu3O10Er
_chemical_formula_sum "Li3 Ti2 Cu3 O10 Er1"
_cell_length_a 5.13238304
_cell_length_b 5.31639157
_cell_length_c 7.72914503
_cell_angle_alpha 108.38343907
_cell_angle_beta 98.14914850000001
_cell_angle_gamma 104.2634979... |
InsertBetweenAtomsAction | 6d0ef2ab-7623-4824-88d4-25853072af9a | mp-2228508 | Insert a Pb atom in the line between atoms at indices 0 and 10, and the inserted atom must be 1.64 angstrom from atom at 0 in the cif file. | data_image0
_chemical_formula_structural MgMn4FeO8
_chemical_formula_sum "Mg1 Mn4 Fe1 O8"
_cell_length_a 6.17323916
_cell_length_b 6.168942360000001
_cell_length_c 6.27863278
_cell_angle_alpha 84.22881575
_cell_angle_beta 57.969734389999985
_cell_angle_gamma 55.74491367000... | data_image0
_chemical_formula_structural MgMn4FeO8Pb
_chemical_formula_sum "Mg1 Mn4 Fe1 O8 Pb1"
_cell_length_a 6.17323916
_cell_length_b 6.168942360000001
_cell_length_c 6.27863278
_cell_angle_alpha 84.22881575
_cell_angle_beta 57.969734389999985
_cell_angle_gamma 55.74491... |
InsertBetweenAtomsAction | 7812af3d-9535-448b-ac18-68520f2c3250 | mp-731924 | Insert a Sn atom in the line between atoms at indices 33 and 2, and the inserted atom must be 4.31 angstrom from atom at 33 in the cif file. | data_image0
_chemical_formula_structural V4P4H20N4O24
_chemical_formula_sum "V4 P4 H20 N4 O24"
_cell_length_a 6.879497
_cell_length_b 9.163433
_cell_length_c 9.663734
_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 V4P4H20N4O24Sn
_chemical_formula_sum "V4 P4 H20 N4 O24 Sn1"
_cell_length_a 6.879497
_cell_length_b 9.163433
_cell_length_c 9.663734
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... |
InsertBetweenAtomsAction | 3e29c456-5d13-463e-8116-044fe78c19b3 | mp-532384 | Insert a Rf atom in the line between atoms at indices 33 and 73, and the inserted atom must be 2.14 angstrom from atom at 33 in the cif file. | data_image0
_chemical_formula_structural Dy16Ti16O56
_chemical_formula_sum "Dy16 Ti16 O56"
_cell_length_a 7.24247993
_cell_length_b 7.242479929999999
_cell_length_c 23.77533748
_cell_angle_alpha 80.77355742
_cell_angle_beta 80.77355742
_cell_angle_gamma 59.605854029999996
... | data_image0
_chemical_formula_structural Dy16Ti16O56Rf
_chemical_formula_sum "Dy16 Ti16 O56 Rf1"
_cell_length_a 7.24247993
_cell_length_b 7.242479929999999
_cell_length_c 23.77533748
_cell_angle_alpha 80.77355742
_cell_angle_beta 80.77355742
_cell_angle_gamma 59.6058540299... |
InsertBetweenAtomsAction | dd47de94-e9f5-4272-a00d-f82bb67497f8 | mp-558603 | Insert a Ru atom in the line between atoms at indices 0 and 28, and the inserted atom must be 6.21 angstrom from atom at 0 in the cif file. | data_image0
_chemical_formula_structural K4Si8O18
_chemical_formula_sum "K4 Si8 O18"
_cell_length_a 4.93890481
_cell_length_b 8.34642066
_cell_length_c 12.1241052
_cell_angle_alpha 71.14050658
_cell_angle_beta 89.68090569
_cell_angle_gamma 89.07631855999999
_space_group_n... | data_image0
_chemical_formula_structural K4Si8O18Ru
_chemical_formula_sum "K4 Si8 O18 Ru1"
_cell_length_a 4.93890481
_cell_length_b 8.34642066
_cell_length_c 12.1241052
_cell_angle_alpha 71.14050658
_cell_angle_beta 89.68090569
_cell_angle_gamma 89.07631855999999
_space_g... |
InsertBetweenAtomsAction | 9e1eaa42-bd6b-4fe6-941a-d9c882ab923d | mp-568053 | Insert a Mc atom in the line between atoms at indices 13 and 8, and the inserted atom must be 4.26 angstrom from atom at 13 in the cif file. | data_image0
_chemical_formula_structural Tb4Ga12Pt
_chemical_formula_sum "Tb4 Ga12 Pt1"
_cell_length_a 7.42054485
_cell_length_b 7.420544879999999
_cell_length_c 7.42054551
_cell_angle_alpha 109.47121675000001
_cell_angle_beta 109.47121679
_cell_angle_gamma 109.47122431
_... | data_image0
_chemical_formula_structural Tb4Ga12PtMc
_chemical_formula_sum "Tb4 Ga12 Pt1 Mc1"
_cell_length_a 7.42054485
_cell_length_b 7.420544879999999
_cell_length_c 7.42054551
_cell_angle_alpha 109.47121675000001
_cell_angle_beta 109.47121679
_cell_angle_gamma 109.47122... |
InsertBetweenAtomsAction | 4d973011-abe4-45a4-b696-f1ea755c560b | mp-1220625 | Insert a Os atom in the line between atoms at indices 3 and 7, and the inserted atom must be 1.81 angstrom from atom at 3 in the cif file. | data_image0
_chemical_formula_structural Nd4Si7
_chemical_formula_sum "Nd4 Si7"
_cell_length_a 3.267497
_cell_length_b 5.589329
_cell_length_c 15.816714
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_group_IT_... | data_image0
_chemical_formula_structural Nd4Si7Os
_chemical_formula_sum "Nd4 Si7 Os1"
_cell_length_a 3.267497
_cell_length_b 5.589329
_cell_length_c 15.816714
_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 | 52232e02-a021-47ac-b911-62e66a23c97f | mp-1035395 | Insert a Pd atom in the line between atoms at indices 7 and 24, and the inserted atom must be 1.52 angstrom from atom at 7 in the cif file. | data_image0
_chemical_formula_structural Mg14VCuO16
_chemical_formula_sum "Mg14 V1 Cu1 O16"
_cell_length_a 8.556818
_cell_length_b 8.61277
_cell_length_c 4.238951
_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 Mg14VCuO16Pd
_chemical_formula_sum "Mg14 V1 Cu1 O16 Pd1"
_cell_length_a 8.556818
_cell_length_b 8.61277
_cell_length_c 4.238951
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... |
InsertBetweenAtomsAction | 5a3456ee-03f0-49cc-9aeb-e4675c7ea137 | mp-771159 | Insert a Co atom in the line between atoms at indices 1 and 6, and the inserted atom must be 2.27 angstrom from atom at 1 in the cif file. | data_image0
_chemical_formula_structural Li4V6W2O16
_chemical_formula_sum "Li4 V6 W2 O16"
_cell_length_a 6.11881642
_cell_length_b 10.558866989999999
_cell_length_c 6.036078419999999
_cell_angle_alpha 105.36620891
_cell_angle_beta 59.61827603999999
_cell_angle_gamma 90.066... | data_image0
_chemical_formula_structural Li4V6W2O16Co
_chemical_formula_sum "Li4 V6 W2 O16 Co1"
_cell_length_a 6.11881642
_cell_length_b 10.558866989999999
_cell_length_c 6.036078419999999
_cell_angle_alpha 105.36620891
_cell_angle_beta 59.61827603999999
_cell_angle_gamma ... |
InsertBetweenAtomsAction | 7eb61044-3a29-4460-8152-eacc726dbd8d | mp-1198355 | Insert a Nb atom in the line between atoms at indices 49 and 9, and the inserted atom must be 2.83 angstrom from atom at 49 in the cif file. | data_image0
_chemical_formula_structural Sr4B22O44
_chemical_formula_sum "Sr4 B22 O44"
_cell_length_a 20.953108
_cell_length_b 6.71541
_cell_length_c 6.74694107
_cell_angle_alpha 60.48476556999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Sr4B22O44Nb
_chemical_formula_sum "Sr4 B22 O44 Nb1"
_cell_length_a 20.953108
_cell_length_b 6.71541
_cell_length_c 6.74694107
_cell_angle_alpha 60.48476556999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_al... |
InsertBetweenAtomsAction | e6395fee-19af-47a4-b1ad-dbcd4006a4a2 | mp-1199595 | Insert a N atom in the line between atoms at indices 48 and 12, and the inserted atom must be 3.39 angstrom from atom at 48 in the cif file. | data_image0
_chemical_formula_structural MnSn4H24C8Se10N2
_chemical_formula_sum "Mn1 Sn4 H24 C8 Se10 N2"
_cell_length_a 10.91665963
_cell_length_b 10.91665963
_cell_length_c 10.91665963
_cell_angle_alpha 123.43561498000001
_cell_angle_beta 123.43561498000001
_cell_angle_gamma... | data_image0
_chemical_formula_structural MnSn4H24C8Se10N3
_chemical_formula_sum "Mn1 Sn4 H24 C8 Se10 N3"
_cell_length_a 10.91665963
_cell_length_b 10.91665963
_cell_length_c 10.91665963
_cell_angle_alpha 123.43561498000001
_cell_angle_beta 123.43561498000001
_cell_angle_gamma... |
InsertBetweenAtomsAction | 336edc4a-59c3-4589-9f72-5ace519a9903 | mp-28355 | Insert a He atom in the line between atoms at indices 6 and 11, and the inserted atom must be 1.76 angstrom from atom at 6 in the cif file. | data_image0
_chemical_formula_structural Na8Ge4Se10
_chemical_formula_sum "Na8 Ge4 Se10"
_cell_length_a 7.06809904
_cell_length_b 8.08216366
_cell_length_c 10.67419123
_cell_angle_alpha 73.4154392
_cell_angle_beta 70.84239573
_cell_angle_gamma 81.69456103000002
_space_gro... | data_image0
_chemical_formula_structural Na8Ge4Se10He
_chemical_formula_sum "Na8 Ge4 Se10 He1"
_cell_length_a 7.06809904
_cell_length_b 8.08216366
_cell_length_c 10.67419123
_cell_angle_alpha 73.4154392
_cell_angle_beta 70.84239573
_cell_angle_gamma 81.69456103000002
_spa... |
InsertBetweenAtomsAction | 7c42a911-0cf8-4e46-a951-213573c72096 | mp-1217055 | Insert a Fr atom in the line between atoms at indices 13 and 3, and the inserted atom must be 0.19 angstrom from atom at 13 in the cif file. | data_image0
_chemical_formula_structural Ti2Al2Fe2O10
_chemical_formula_sum "Ti2 Al2 Fe2 O10"
_cell_length_a 5.22937343
_cell_length_b 5.22937343
_cell_length_c 9.745326
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 138.05324948
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ti2Al2Fe2O10Fr
_chemical_formula_sum "Ti2 Al2 Fe2 O10 Fr1"
_cell_length_a 5.22937343
_cell_length_b 5.22937343
_cell_length_c 9.745326
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 138.05324948
_space_group_name_H-... |
InsertBetweenAtomsAction | 09e14b1c-e10f-4432-9a26-520a265b8330 | mp-753639 | Insert a Cr atom in the line between atoms at indices 14 and 3, and the inserted atom must be 0.84 angstrom from atom at 14 in the cif file. | data_image0
_chemical_formula_structural Li2Ti2P2C2O14
_chemical_formula_sum "Li2 Ti2 P2 C2 O14"
_cell_length_a 6.447695
_cell_length_b 5.243688
_cell_length_c 8.2428729
_cell_angle_alpha 82.12488996
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Li2Ti2P2C2O14Cr
_chemical_formula_sum "Li2 Ti2 P2 C2 O14 Cr1"
_cell_length_a 6.447695
_cell_length_b 5.243688
_cell_length_c 8.2428729
_cell_angle_alpha 82.12488996
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M... |
InsertBetweenAtomsAction | 6bcfda33-6cc7-4257-8801-724b2c82c4b2 | mp-861612 | Insert a At atom in the line between atoms at indices 11 and 13, and the inserted atom must be 0.32 angstrom from atom at 11 in the cif file. | data_image0
_chemical_formula_structural Cr2Fe2P4O16
_chemical_formula_sum "Cr2 Fe2 P4 O16"
_cell_length_a 5.848363
_cell_length_b 4.837312
_cell_length_c 9.9654035
_cell_angle_alpha 88.98505063
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Cr2Fe2P4O16At
_chemical_formula_sum "Cr2 Fe2 P4 O16 At1"
_cell_length_a 5.848363
_cell_length_b 4.837312
_cell_length_c 9.9654035
_cell_angle_alpha 88.98505063
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | ed12768b-ec3a-418d-9903-0c21d5818715 | mp-1078353 | Insert a Zr atom in the line between atoms at indices 11 and 15, and the inserted atom must be 0.84 angstrom from atom at 11 in the cif file. | data_image0
_chemical_formula_structural Mn2Pb4W2O12
_chemical_formula_sum "Mn2 Pb4 W2 O12"
_cell_length_a 5.80682125
_cell_length_b 5.809345270000001
_cell_length_c 10.05465674
_cell_angle_alpha 73.28351843
_cell_angle_beta 89.96123195999999
_cell_angle_gamma 120.08865650... | data_image0
_chemical_formula_structural Mn2Pb4W2O12Zr
_chemical_formula_sum "Mn2 Pb4 W2 O12 Zr1"
_cell_length_a 5.80682125
_cell_length_b 5.809345270000001
_cell_length_c 10.05465674
_cell_angle_alpha 73.28351843
_cell_angle_beta 89.96123195999999
_cell_angle_gamma 120.08... |
InsertBetweenAtomsAction | 10210a4c-c3ee-47f8-a8ef-1afa149817ed | mp-740718 | Insert a Nd atom in the line between atoms at indices 65 and 37, and the inserted atom must be 10.71 angstrom from atom at 65 in the cif file. | data_image0
_chemical_formula_structural Al8H48N16Cl24
_chemical_formula_sum "Al8 H48 N16 Cl24"
_cell_length_a 6.586838
_cell_length_b 11.505036
_cell_length_c 18.326803
_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 Al8H48N16Cl24Nd
_chemical_formula_sum "Al8 H48 N16 Cl24 Nd1"
_cell_length_a 6.586838
_cell_length_b 11.505036
_cell_length_c 18.326803
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | 83d8683d-9c62-4890-a2b3-a664ea9b3258 | mp-1206019 | Insert a Db atom in the line between atoms at indices 5 and 7, and the inserted atom must be 3.18 angstrom from atom at 5 in the cif file. | data_image0
_chemical_formula_structural Ce4SiI5
_chemical_formula_sum "Ce4 Si1 I5"
_cell_length_a 10.11161256
_cell_length_b 10.11161256
_cell_length_c 9.1419254
_cell_angle_alpha 76.92605644
_cell_angle_beta 76.92605644
_cell_angle_gamma 24.85752920999999
_space_group_n... | data_image0
_chemical_formula_structural Ce4SiI5Db
_chemical_formula_sum "Ce4 Si1 I5 Db1"
_cell_length_a 10.11161256
_cell_length_b 10.11161256
_cell_length_c 9.1419254
_cell_angle_alpha 76.92605644
_cell_angle_beta 76.92605644
_cell_angle_gamma 24.85752920999999
_space_g... |
InsertBetweenAtomsAction | 68c00a61-aa7e-4608-b495-efbbb0fedc2c | mp-1099219 | Insert a Tc atom in the line between atoms at indices 29 and 21, and the inserted atom must be 1.05 angstrom from atom at 29 in the cif file. | data_image0
_chemical_formula_structural CsMg14SiO16
_chemical_formula_sum "Cs1 Mg14 Si1 O16"
_cell_length_a 8.790323
_cell_length_b 8.790323
_cell_length_c 4.468321
_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 CsMg14SiO16Tc
_chemical_formula_sum "Cs1 Mg14 Si1 O16 Tc1"
_cell_length_a 8.790323
_cell_length_b 8.790323
_cell_length_c 4.468321
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
InsertBetweenAtomsAction | a7af1e7e-98f9-4712-aea6-3868f63b4aed | mp-1218673 | Insert a Ne atom in the line between atoms at indices 38 and 40, and the inserted atom must be 12.44 angstrom from atom at 38 in the cif file. | data_image0
_chemical_formula_structural Sr4Zn51
_chemical_formula_sum "Sr4 Zn51"
_cell_length_a 14.96096755
_cell_length_b 14.960967550000001
_cell_length_c 14.960967560000002
_cell_angle_alpha 33.90467868000001
_cell_angle_beta 33.90467868000001
_cell_angle_gamma 33.9046... | data_image0
_chemical_formula_structural Sr4Zn51Ne
_chemical_formula_sum "Sr4 Zn51 Ne1"
_cell_length_a 14.96096755
_cell_length_b 14.960967550000001
_cell_length_c 14.960967560000002
_cell_angle_alpha 33.90467868000001
_cell_angle_beta 33.90467868000001
_cell_angle_gamma 3... |
InsertBetweenAtomsAction | 2b6accb6-0c1a-4515-b840-7d664084f3ef | mp-1176271 | Insert a Lr atom in the line between atoms at indices 17 and 28, and the inserted atom must be 4.97 angstrom from atom at 17 in the cif file. | data_image0
_chemical_formula_structural Li9Mn2Co5O16
_chemical_formula_sum "Li9 Mn2 Co5 O16"
_cell_length_a 5.039067
_cell_length_b 5.105266029999999
_cell_length_c 11.79768582
_cell_angle_alpha 91.14839872999998
_cell_angle_beta 92.07247457
_cell_angle_gamma 108.20262448... | data_image0
_chemical_formula_structural Li9Mn2Co5O16Lr
_chemical_formula_sum "Li9 Mn2 Co5 O16 Lr1"
_cell_length_a 5.039067
_cell_length_b 5.105266029999999
_cell_length_c 11.79768582
_cell_angle_alpha 91.14839872999998
_cell_angle_beta 92.07247457
_cell_angle_gamma 108.20... |
InsertBetweenAtomsAction | e54f1cd9-bc6b-4b1a-8b48-9ef33c93bea4 | mp-777649 | Insert a Nd atom in the line between atoms at indices 11 and 39, and the inserted atom must be 2.59 angstrom from atom at 11 in the cif file. | data_image0
_chemical_formula_structural Li8Mn7FeB8O24
_chemical_formula_sum "Li8 Mn7 Fe1 B8 O24"
_cell_length_a 5.254754
_cell_length_b 8.29364163
_cell_length_c 12.126275779999999
_cell_angle_alpha 103.29875627
_cell_angle_beta 90.65501686
_cell_angle_gamma 90.7361999
_... | data_image0
_chemical_formula_structural Li8Mn7FeB8O24Nd
_chemical_formula_sum "Li8 Mn7 Fe1 B8 O24 Nd1"
_cell_length_a 5.254754
_cell_length_b 8.29364163
_cell_length_c 12.126275779999999
_cell_angle_alpha 103.29875627
_cell_angle_beta 90.65501686
_cell_angle_gamma 90.7361... |
InsertBetweenAtomsAction | 6ac25bed-a99a-4a77-b447-ad01937a976a | mp-1522988 | Insert a Pd atom in the line between atoms at indices 6 and 9, and the inserted atom must be 1.41 angstrom from atom at 6 in the cif file. | data_image0
_chemical_formula_structural Na2BiWO6
_chemical_formula_sum "Na2 Bi1 W1 O6"
_cell_length_a 5.87140786
_cell_length_b 5.87140786
_cell_length_c 5.871407859999999
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.999999... | data_image0
_chemical_formula_structural Na2BiWO6Pd
_chemical_formula_sum "Na2 Bi1 W1 O6 Pd1"
_cell_length_a 5.87140786
_cell_length_b 5.87140786
_cell_length_c 5.871407859999999
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.... |
InsertBetweenAtomsAction | 10c91acf-9c06-4fb2-8327-1e299bae6983 | mp-608551 | Insert a Hg atom in the line between atoms at indices 5 and 17, and the inserted atom must be 2.84 angstrom from atom at 5 in the cif file. | data_image0
_chemical_formula_structural Ti2Al4Br16
_chemical_formula_sum "Ti2 Al4 Br16"
_cell_length_a 6.402735
_cell_length_b 10.46939
_cell_length_c 13.512877
_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 Ti2Al4Br16Hg
_chemical_formula_sum "Ti2 Al4 Br16 Hg1"
_cell_length_a 6.402735
_cell_length_b 10.46939
_cell_length_c 13.512877
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
InsertBetweenAtomsAction | e21a9748-3eb3-417d-b9a8-e86a3589635d | mp-995217 | Insert a Tm atom in the line between atoms at indices 2 and 7, and the inserted atom must be 4.21 angstrom from atom at 2 in the cif file. | data_image0
_chemical_formula_structural H8C12
_chemical_formula_sum "H8 C12"
_cell_length_a 7.1561848
_cell_length_b 7.1561848
_cell_length_c 3.84354944
_cell_angle_alpha 82.92134499
_cell_angle_beta 82.92134499
_cell_angle_gamma 106.46795645999998
_space_group_name_H-M_... | data_image0
_chemical_formula_structural H8C12Tm
_chemical_formula_sum "H8 C12 Tm1"
_cell_length_a 7.1561848
_cell_length_b 7.1561848
_cell_length_c 3.84354944
_cell_angle_alpha 82.92134499
_cell_angle_beta 82.92134499
_cell_angle_gamma 106.46795645999998
_space_group_nam... |
InsertBetweenAtomsAction | 844bd7ac-f85d-4c47-bf33-c7e088d18418 | mp-757370 | Insert a Yb atom in the line between atoms at indices 33 and 9, and the inserted atom must be 2.10 angstrom from atom at 33 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 Ti5Fe11O24Yb
_chemical_formula_sum "Ti5 Fe11 O24 Yb1"
_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 | 83f3d495-0cc8-472f-b45b-32d2ee478357 | mp-556670 | Insert a Pu atom in the line between atoms at indices 36 and 19, and the inserted atom must be 7.14 angstrom from atom at 36 in the cif file. | data_image0
_chemical_formula_structural Mn4H24S4O24
_chemical_formula_sum "Mn4 H24 S4 O24"
_cell_length_a 5.674621
_cell_length_b 9.606863
_cell_length_c 9.924046
_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 Mn4H24S4O24Pu
_chemical_formula_sum "Mn4 H24 S4 O24 Pu1"
_cell_length_a 5.674621
_cell_length_b 9.606863
_cell_length_c 9.924046
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... |
InsertBetweenAtomsAction | a23b967c-2a38-4015-ac4d-a2dcceac6d45 | mp-1210531 | Insert a As atom in the line between atoms at indices 5 and 22, and the inserted atom must be 3.99 angstrom from atom at 5 in the cif file. | data_image0
_chemical_formula_structural Pr14Br6O36
_chemical_formula_sum "Pr14 Br6 O36"
_cell_length_a 15.91249843
_cell_length_b 15.91249843
_cell_length_c 4.378747
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000178000002
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural Pr14Br6O36As
_chemical_formula_sum "Pr14 Br6 O36 As1"
_cell_length_a 15.91249843
_cell_length_b 15.91249843
_cell_length_c 4.378747
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000178000002
_space_group_name... |
InsertBetweenAtomsAction | 5d041869-2d3f-4912-964e-14662e3b7a98 | mp-1177033 | Insert a Nd atom in the line between atoms at indices 32 and 19, and the inserted atom must be 1.68 angstrom from atom at 32 in the cif file. | data_image0
_chemical_formula_structural Li12Mn6V2P12O48
_chemical_formula_sum "Li12 Mn6 V2 P12 O48"
_cell_length_a 8.612399
_cell_length_b 8.7233025
_cell_length_c 12.37088277
_cell_angle_alpha 89.88344668
_cell_angle_beta 88.10445251
_cell_angle_gamma 89.83653874
_space... | data_image0
_chemical_formula_structural Li12Mn6V2P12O48Nd
_chemical_formula_sum "Li12 Mn6 V2 P12 O48 Nd1"
_cell_length_a 8.612399
_cell_length_b 8.7233025
_cell_length_c 12.37088277
_cell_angle_alpha 89.88344668
_cell_angle_beta 88.10445251
_cell_angle_gamma 89.83653874
... |
InsertBetweenAtomsAction | 0d9e2461-416f-446f-972f-654e720d0db9 | mp-1224634 | Insert a Br atom in the line between atoms at indices 21 and 6, and the inserted atom must be 1.10 angstrom from atom at 21 in the cif file. | data_image0
_chemical_formula_structural In9Ga3Bi4S24
_chemical_formula_sum "In9 Ga3 Bi4 S24"
_cell_length_a 3.884257
_cell_length_b 20.47284027
_cell_length_c 12.59901753
_cell_angle_alpha 83.63688405
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural In9Ga3Bi4S24Br
_chemical_formula_sum "In9 Ga3 Bi4 S24 Br1"
_cell_length_a 3.884257
_cell_length_b 20.47284027
_cell_length_c 12.59901753
_cell_angle_alpha 83.63688405
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H... |
InsertBetweenAtomsAction | e0522716-48db-47f4-8e89-2d68e675cca1 | mp-781014 | Insert a Co atom in the line between atoms at indices 19 and 4, and the inserted atom must be 1.45 angstrom from atom at 19 in the cif file. | data_image0
_chemical_formula_structural Li4V4P8H4O32
_chemical_formula_sum "Li4 V4 P8 H4 O32"
_cell_length_a 7.480707
_cell_length_b 9.34636263
_cell_length_c 9.362421390000002
_cell_angle_alpha 117.49468419999998
_cell_angle_beta 97.92932522
_cell_angle_gamma 97.96877453... | data_image0
_chemical_formula_structural Li4V4P8H4O32Co
_chemical_formula_sum "Li4 V4 P8 H4 O32 Co1"
_cell_length_a 7.480707
_cell_length_b 9.34636263
_cell_length_c 9.362421390000002
_cell_angle_alpha 117.49468419999998
_cell_angle_beta 97.92932522
_cell_angle_gamma 97.96... |
InsertBetweenAtomsAction | 001b598e-febd-4fba-80ad-2ed4f1ccc415 | mp-1199930 | Insert a Si atom in the line between atoms at indices 16 and 9, and the inserted atom must be 2.28 angstrom from atom at 16 in the cif file. | data_image0
_chemical_formula_structural Y4Co28Cu6
_chemical_formula_sum "Y4 Co28 Cu6"
_cell_length_a 8.31822461
_cell_length_b 8.31822461
_cell_length_c 8.147198
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000483
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural Y4Co28Cu6Si
_chemical_formula_sum "Y4 Co28 Cu6 Si1"
_cell_length_a 8.31822461
_cell_length_b 8.31822461
_cell_length_c 8.147198
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000483
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | 8342e269-6750-4118-b6e6-6c1ace2d6ac7 | mp-1999 | Insert a Fr atom in the line between atoms at indices 8 and 17, and the inserted atom must be 0.77 angstrom from atom at 8 in the cif file. | data_image0
_chemical_formula_structural Sb8O12
_chemical_formula_sum "Sb8 O12"
_cell_length_a 7.93430228
_cell_length_b 7.93430258
_cell_length_c 7.93430209
_cell_angle_alpha 59.99999757999999
_cell_angle_beta 59.999996349999996
_cell_angle_gamma 60.00000136
_space_group... | data_image0
_chemical_formula_structural Sb8O12Fr
_chemical_formula_sum "Sb8 O12 Fr1"
_cell_length_a 7.93430228
_cell_length_b 7.93430258
_cell_length_c 7.93430209
_cell_angle_alpha 59.99999757999999
_cell_angle_beta 59.999996349999996
_cell_angle_gamma 60.00000136
_space... |
InsertBetweenAtomsAction | f765d4dd-9366-45af-ac42-26b6c53f0316 | mp-753290 | Insert a Lr atom in the line between atoms at indices 4 and 15, and the inserted atom must be 1.00 angstrom from atom at 4 in the cif file. | data_image0
_chemical_formula_structural Fe6O2F10
_chemical_formula_sum "Fe6 O2 F10"
_cell_length_a 4.782624
_cell_length_b 5.7936
_cell_length_c 8.08691079
_cell_angle_alpha 87.82672841
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spac... | data_image0
_chemical_formula_structural Fe6O2F10Lr
_chemical_formula_sum "Fe6 O2 F10 Lr1"
_cell_length_a 4.782624
_cell_length_b 5.7936
_cell_length_c 8.08691079
_cell_angle_alpha 87.82672841
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... |
InsertBetweenAtomsAction | 91c7aac5-84f3-4d1a-8844-39a2bc73b1b5 | mp-1201334 | Insert a Sr atom in the line between atoms at indices 23 and 1, and the inserted atom must be 4.14 angstrom from atom at 23 in the cif file. | data_image0
_chemical_formula_structural NiH20PdC4N4O12
_chemical_formula_sum "Ni1 H20 Pd1 C4 N4 O12"
_cell_length_a 7.190677
_cell_length_b 7.451019
_cell_length_c 9.12756315
_cell_angle_alpha 65.91067253
_cell_angle_beta 66.80266797
_cell_angle_gamma 90.0
_space_group_n... | data_image0
_chemical_formula_structural NiH20PdC4N4O12Sr
_chemical_formula_sum "Ni1 H20 Pd1 C4 N4 O12 Sr1"
_cell_length_a 7.190677
_cell_length_b 7.451019
_cell_length_c 9.12756315
_cell_angle_alpha 65.91067253
_cell_angle_beta 66.80266797
_cell_angle_gamma 90.0
_space_g... |
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