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 | f02b49f7-6074-41ee-b766-c2ba2183ad5b | mp-18672 | Insert a Yb atom in the line between atoms at indices 10 and 15, and the inserted atom must be 6.49 angstrom from atom at 10 in the cif file. | data_image0
_chemical_formula_structural Cs2Dy4Cu6Se10
_chemical_formula_sum "Cs2 Dy4 Cu6 Se10"
_cell_length_a 7.63432858
_cell_length_b 7.63432858
_cell_length_c 17.431245
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 148.53848154999997
_space_group_name... | data_image0
_chemical_formula_structural Cs2Dy4Cu6Se10Yb
_chemical_formula_sum "Cs2 Dy4 Cu6 Se10 Yb1"
_cell_length_a 7.63432858
_cell_length_b 7.63432858
_cell_length_c 17.431245
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 148.53848154999997
_space_grou... |
InsertBetweenAtomsAction | 17c01dbd-4ce6-4e23-bdf3-02f4292fab44 | mp-772660 | Insert a Be atom in the line between atoms at indices 22 and 18, and the inserted atom must be 1.17 angstrom from atom at 22 in the cif file. | data_image0
_chemical_formula_structural Nb4Cr4O16
_chemical_formula_sum "Nb4 Cr4 O16"
_cell_length_a 4.5187362
_cell_length_b 11.61773218
_cell_length_c 4.91121829
_cell_angle_alpha 89.99995699
_cell_angle_beta 89.998968
_cell_angle_gamma 89.99993829
_space_group_name_H-... | data_image0
_chemical_formula_structural Nb4Cr4O16Be
_chemical_formula_sum "Nb4 Cr4 O16 Be1"
_cell_length_a 4.5187362
_cell_length_b 11.61773218
_cell_length_c 4.91121829
_cell_angle_alpha 89.99995699
_cell_angle_beta 89.998968
_cell_angle_gamma 89.99993829
_space_group_n... |
InsertBetweenAtomsAction | 04e5ae62-f2d5-4d5e-be74-8bc983476b42 | mp-1031226 | Insert a Ba atom in the line between atoms at indices 6 and 9, and the inserted atom must be 1.15 angstrom from atom at 6 in the cif file. | data_image0
_chemical_formula_structural RbMg6TiO8
_chemical_formula_sum "Rb1 Mg6 Ti1 O8"
_cell_length_a 8.65829641
_cell_length_b 4.61044527
_cell_length_c 4.61044527
_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 RbMg6TiO8Ba
_chemical_formula_sum "Rb1 Mg6 Ti1 O8 Ba1"
_cell_length_a 8.65829641
_cell_length_b 4.61044527
_cell_length_c 4.61044527
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... |
InsertBetweenAtomsAction | c1014e74-b069-4c48-ac88-5c325be7b45a | mp-1212834 | Insert a Er atom in the line between atoms at indices 5 and 3, and the inserted atom must be 2.77 angstrom from atom at 5 in the cif file. | data_image0
_chemical_formula_structural Gd4Ni4Pb4
_chemical_formula_sum "Gd4 Ni4 Pb4"
_cell_length_a 4.572982
_cell_length_b 7.27882227
_cell_length_c 7.7671560600000005
_cell_angle_alpha 89.95544366999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-... | data_image0
_chemical_formula_structural Gd4Ni4Pb4Er
_chemical_formula_sum "Gd4 Ni4 Pb4 Er1"
_cell_length_a 4.572982
_cell_length_b 7.27882227
_cell_length_c 7.7671560600000005
_cell_angle_alpha 89.95544366999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_n... |
InsertBetweenAtomsAction | f09d4fbd-aaeb-4241-aa92-cd94f5279ec8 | mp-1224332 | Insert a Xe atom in the line between atoms at indices 17 and 13, and the inserted atom must be 7.88 angstrom from atom at 17 in the cif file. | data_image0
_chemical_formula_structural InAs4Pd15
_chemical_formula_sum "In1 As4 Pd15"
_cell_length_a 18.47709191
_cell_length_b 18.47709191
_cell_length_c 18.47709221
_cell_angle_alpha 13.853155029999996
_cell_angle_beta 13.853155029999996
_cell_angle_gamma 13.8531551699... | data_image0
_chemical_formula_structural InAs4Pd15Xe
_chemical_formula_sum "In1 As4 Pd15 Xe1"
_cell_length_a 18.47709191
_cell_length_b 18.47709191
_cell_length_c 18.47709221
_cell_angle_alpha 13.853155029999996
_cell_angle_beta 13.853155029999996
_cell_angle_gamma 13.8531... |
InsertBetweenAtomsAction | 510b8c14-4cfe-4d22-97e3-68154c42e4bc | mp-1026902 | Insert a Ne atom in the line between atoms at indices 14 and 5, and the inserted atom must be 5.25 angstrom from atom at 14 in the cif file. | data_image0
_chemical_formula_structural Mg14CuB
_chemical_formula_sum "Mg14 Cu1 B1"
_cell_length_a 6.21930327
_cell_length_b 6.273270720000001
_cell_length_c 9.98555831
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.28746915
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Mg14CuBNe
_chemical_formula_sum "Mg14 Cu1 B1 Ne1"
_cell_length_a 6.21930327
_cell_length_b 6.273270720000001
_cell_length_c 9.98555831
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.28746915
_space_group_name_H-... |
InsertBetweenAtomsAction | 4a7fbbbb-8fe3-4434-903a-f43829400284 | mp-1228475 | Insert a Ce atom in the line between atoms at indices 36 and 11, and the inserted atom must be 1.60 angstrom from atom at 36 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 Ba10Mn2Co8O28Ce
_chemical_formula_sum "Ba10 Mn2 Co8 O28 Ce1"
_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-... |
InsertBetweenAtomsAction | e44d8099-e698-4a9d-ba7f-3111a2c8092a | mp-1195795 | Insert a Mo atom in the line between atoms at indices 26 and 6, and the inserted atom must be 3.36 angstrom from atom at 26 in the cif file. | data_image0
_chemical_formula_structural La4Y11S22
_chemical_formula_sum "La4 Y11 S22"
_cell_length_a 19.85295513
_cell_length_b 19.85295513
_cell_length_c 11.44709179
_cell_angle_alpha 88.44478713
_cell_angle_beta 88.44478713
_cell_angle_gamma 11.543549940000046
_space_g... | data_image0
_chemical_formula_structural La4Y11S22Mo
_chemical_formula_sum "La4 Y11 S22 Mo1"
_cell_length_a 19.85295513
_cell_length_b 19.85295513
_cell_length_c 11.44709179
_cell_angle_alpha 88.44478713
_cell_angle_beta 88.44478713
_cell_angle_gamma 11.543549940000046
_s... |
InsertBetweenAtomsAction | b749c572-eeb3-4df6-9f22-4e87718c3ab5 | mp-2219699 | Insert a Sr atom in the line between atoms at indices 4 and 8, and the inserted atom must be 0.73 angstrom from atom at 4 in the cif file. | data_image0
_chemical_formula_structural K2MgRe2O8
_chemical_formula_sum "K2 Mg1 Re2 O8"
_cell_length_a 5.54549561
_cell_length_b 6.37898571
_cell_length_c 7.9827836
_cell_angle_alpha 113.78128377
_cell_angle_beta 110.25819822000001
_cell_angle_gamma 90.07065235
_space_gr... | data_image0
_chemical_formula_structural K2MgRe2O8Sr
_chemical_formula_sum "K2 Mg1 Re2 O8 Sr1"
_cell_length_a 5.54549561
_cell_length_b 6.37898571
_cell_length_c 7.9827836
_cell_angle_alpha 113.78128377
_cell_angle_beta 110.25819822000001
_cell_angle_gamma 90.07065235
_sp... |
InsertBetweenAtomsAction | fdce98fa-db72-43e1-ba8a-485a603f9e02 | mp-667336 | Insert a Lr atom in the line between atoms at indices 69 and 18, and the inserted atom must be 4.91 angstrom from atom at 69 in the cif file. | data_image0
_chemical_formula_structural Cs16Zr12Te64
_chemical_formula_sum "Cs16 Zr12 Te64"
_cell_length_a 19.784849
_cell_length_b 12.217208
_cell_length_c 17.97604476
_cell_angle_alpha 60.070154949999996
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-... | data_image0
_chemical_formula_structural Cs16Zr12Te64Lr
_chemical_formula_sum "Cs16 Zr12 Te64 Lr1"
_cell_length_a 19.784849
_cell_length_b 12.217208
_cell_length_c 17.97604476
_cell_angle_alpha 60.070154949999996
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_n... |
InsertBetweenAtomsAction | 5da07308-4afc-435c-b0b8-34b081aa5def | mp-1209541 | Insert a Gd atom in the line between atoms at indices 10 and 9, and the inserted atom must be 5.21 angstrom from atom at 10 in the cif file. | data_image0
_chemical_formula_structural Se3N3O12
_chemical_formula_sum "Se3 N3 O12"
_cell_length_a 9.26032011
_cell_length_b 9.26032011
_cell_length_c 5.68882602
_cell_angle_alpha 82.87290882000002
_cell_angle_beta 82.87290882000002
_cell_angle_gamma 53.16993631
_space_g... | data_image0
_chemical_formula_structural Se3N3O12Gd
_chemical_formula_sum "Se3 N3 O12 Gd1"
_cell_length_a 9.26032011
_cell_length_b 9.26032011
_cell_length_c 5.68882602
_cell_angle_alpha 82.87290882000002
_cell_angle_beta 82.87290882000002
_cell_angle_gamma 53.16993631
_s... |
InsertBetweenAtomsAction | 125d13b7-eb18-4660-bde0-51b941d87c68 | mp-1217947 | Insert a Sb atom in the line between atoms at indices 33 and 37, and the inserted atom must be 3.03 angstrom from atom at 33 in the cif file. | data_image0
_chemical_formula_structural Ta4Nb4Ag8O24
_chemical_formula_sum "Ta4 Nb4 Ag8 O24"
_cell_length_a 5.614271
_cell_length_b 5.686728
_cell_length_c 15.851884
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_s... | data_image0
_chemical_formula_structural Ta4Nb4Ag8O24Sb
_chemical_formula_sum "Ta4 Nb4 Ag8 O24 Sb1"
_cell_length_a 5.614271
_cell_length_b 5.686728
_cell_length_c 15.851884
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... |
InsertBetweenAtomsAction | 8093cc1d-29ce-4d18-8563-31fb938ea7ae | mp-675510 | Insert a Cm atom in the line between atoms at indices 2 and 7, and the inserted atom must be 12.02 angstrom from atom at 2 in the cif file. | data_image0
_chemical_formula_structural As8Pd10Pb2
_chemical_formula_sum "As8 Pd10 Pb2"
_cell_length_a 19.72310211
_cell_length_b 6.816069789999999
_cell_length_c 6.88341192
_cell_angle_alpha 60.10400328000001
_cell_angle_beta 55.62289422
_cell_angle_gamma 29.595271559999... | data_image0
_chemical_formula_structural As8Pd10Pb2Cm
_chemical_formula_sum "As8 Pd10 Pb2 Cm1"
_cell_length_a 19.72310211
_cell_length_b 6.816069789999999
_cell_length_c 6.88341192
_cell_angle_alpha 60.10400328000001
_cell_angle_beta 55.62289422
_cell_angle_gamma 29.595271... |
InsertBetweenAtomsAction | dc538b13-52f4-43da-b3c6-9e8512167ae3 | mp-1035887 | Insert a W atom in the line between atoms at indices 25 and 22, and the inserted atom must be 4.97 angstrom from atom at 25 in the cif file. | data_image0
_chemical_formula_structural KMg14WO16
_chemical_formula_sum "K1 Mg14 W1 O16"
_cell_length_a 4.394113
_cell_length_b 8.642247
_cell_length_c 8.787907
_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 KMg14WO16W
_chemical_formula_sum "K1 Mg14 W2 O16"
_cell_length_a 4.394113
_cell_length_b 8.642247
_cell_length_c 8.787907
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space... |
InsertBetweenAtomsAction | 66b49bd4-3094-4fa6-9b32-0ad71791fb7b | mp-510 | Insert a Zr atom in the line between atoms at indices 24 and 26, and the inserted atom must be 4.19 angstrom from atom at 24 in the cif file. | data_image0
_chemical_formula_structural Ta16O32
_chemical_formula_sum "Ta16 O32"
_cell_length_a 10.22760131
_cell_length_b 10.22760131
_cell_length_c 10.22760131
_cell_angle_alpha 94.97482101
_cell_angle_beta 94.97482101
_cell_angle_gamma 145.74738884999996
_space_group_... | data_image0
_chemical_formula_structural Ta16O32Zr
_chemical_formula_sum "Ta16 O32 Zr1"
_cell_length_a 10.22760131
_cell_length_b 10.22760131
_cell_length_c 10.22760131
_cell_angle_alpha 94.97482101
_cell_angle_beta 94.97482101
_cell_angle_gamma 145.74738884999996
_space_... |
InsertBetweenAtomsAction | 097a9fb4-348f-4fbc-a5e5-75268c269374 | mp-754770 | Insert a He atom in the line between atoms at indices 12 and 8, and the inserted atom must be 2.49 angstrom from atom at 12 in the cif file. | data_image0
_chemical_formula_structural Li4Mn4F12
_chemical_formula_sum "Li4 Mn4 F12"
_cell_length_a 10.224994
_cell_length_b 3.803119
_cell_length_c 6.94525512
_cell_angle_alpha 87.3230362
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... | data_image0
_chemical_formula_structural Li4Mn4F12He
_chemical_formula_sum "Li4 Mn4 F12 He1"
_cell_length_a 10.224994
_cell_length_b 3.803119
_cell_length_c 6.94525512
_cell_angle_alpha 87.3230362
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... |
InsertBetweenAtomsAction | b8757579-65de-4be1-919d-bf459d4e522e | mp-1201159 | Insert a I atom in the line between atoms at indices 18 and 20, and the inserted atom must be 3.88 angstrom from atom at 18 in the cif file. | data_image0
_chemical_formula_structural Na4Mn2H8Se4O20
_chemical_formula_sum "Na4 Mn2 H8 Se4 O20"
_cell_length_a 5.7906892
_cell_length_b 6.02711618
_cell_length_c 13.704505
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 105.82983314
_space_group_name_H-M... | data_image0
_chemical_formula_structural Na4Mn2H8Se4O20I
_chemical_formula_sum "Na4 Mn2 H8 Se4 O20 I1"
_cell_length_a 5.7906892
_cell_length_b 6.02711618
_cell_length_c 13.704505
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 105.82983314
_space_group_name... |
InsertBetweenAtomsAction | ab591dca-9499-467b-8010-afde886f6158 | mp-753610 | Insert a Fr atom in the line between atoms at indices 4 and 3, and the inserted atom must be 5.87 angstrom from atom at 4 in the cif file. | data_image0
_chemical_formula_structural Ba2Ca2I8
_chemical_formula_sum "Ba2 Ca2 I8"
_cell_length_a 11.45684617
_cell_length_b 11.45684617
_cell_length_c 8.300787
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 149.20882434999996
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ba2Ca2I8Fr
_chemical_formula_sum "Ba2 Ca2 I8 Fr1"
_cell_length_a 11.45684617
_cell_length_b 11.45684617
_cell_length_c 8.300787
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 149.20882434999996
_space_group_name_H-M... |
InsertBetweenAtomsAction | 25922248-c6fb-4bd2-901f-de762290d403 | mp-753686 | Insert a Bk atom in the line between atoms at indices 1 and 11, and the inserted atom must be 4.01 angstrom from atom at 1 in the cif file. | data_image0
_chemical_formula_structural Li4V2Cr2P4O16F4
_chemical_formula_sum "Li4 V2 Cr2 P4 O16 F4"
_cell_length_a 5.37201066
_cell_length_b 10.2257436
_cell_length_c 7.3471609
_cell_angle_alpha 76.01483243999999
_cell_angle_beta 73.07426687
_cell_angle_gamma 99.89994098... | data_image0
_chemical_formula_structural Li4V2Cr2P4O16F4Bk
_chemical_formula_sum "Li4 V2 Cr2 P4 O16 F4 Bk1"
_cell_length_a 5.37201066
_cell_length_b 10.2257436
_cell_length_c 7.3471609
_cell_angle_alpha 76.01483243999999
_cell_angle_beta 73.07426687
_cell_angle_gamma 99.89... |
InsertBetweenAtomsAction | 754f0682-1b7d-4159-8b2d-22964d8e1181 | mp-695175 | Insert a Pu atom in the line between atoms at indices 8 and 90, and the inserted atom must be 5.12 angstrom from atom at 8 in the cif file. | data_image0
_chemical_formula_structural Na3Sr14Nd3Ti20O60
_chemical_formula_sum "Na3 Sr14 Nd3 Ti20 O60"
_cell_length_a 5.53353707
_cell_length_b 5.533537070000001
_cell_length_c 39.484861
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.02449801
_space_g... | data_image0
_chemical_formula_structural Na3Sr14Nd3Ti20O60Pu
_chemical_formula_sum "Na3 Sr14 Nd3 Ti20 O60 Pu1"
_cell_length_a 5.53353707
_cell_length_b 5.533537070000001
_cell_length_c 39.484861
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.02449801
_s... |
InsertBetweenAtomsAction | b8faf6d0-97c3-4eb1-b8c6-9533087c785c | mp-1442904 | Insert a Sc atom in the line between atoms at indices 5 and 13, and the inserted atom must be 0.94 angstrom from atom at 5 in the cif file. | data_image0
_chemical_formula_structural Ca2Cu2F10
_chemical_formula_sum "Ca2 Cu2 F10"
_cell_length_a 5.544288
_cell_length_b 5.55540198
_cell_length_c 7.71083208
_cell_angle_alpha 69.38132926
_cell_angle_beta 69.63660232
_cell_angle_gamma 71.15789169
_space_group_name_H-... | data_image0
_chemical_formula_structural Ca2Cu2F10Sc
_chemical_formula_sum "Ca2 Cu2 F10 Sc1"
_cell_length_a 5.544288
_cell_length_b 5.55540198
_cell_length_c 7.71083208
_cell_angle_alpha 69.38132926
_cell_angle_beta 69.63660232
_cell_angle_gamma 71.15789169
_space_group_n... |
InsertBetweenAtomsAction | c80abd3b-b404-4cc2-9956-3104b5859b44 | mp-1072993 | Insert a Cf atom in the line between atoms at indices 13 and 5, and the inserted atom must be 0.34 angstrom from atom at 13 in the cif file. | data_image0
_chemical_formula_structural Mg8Si12
_chemical_formula_sum "Mg8 Si12"
_cell_length_a 5.42959707
_cell_length_b 5.429597070000001
_cell_length_c 18.53523443
_cell_angle_alpha 80.42024984999999
_cell_angle_beta 80.42024984999999
_cell_angle_gamma 41.3923071800000... | data_image0
_chemical_formula_structural Mg8Si12Cf
_chemical_formula_sum "Mg8 Si12 Cf1"
_cell_length_a 5.42959707
_cell_length_b 5.429597070000001
_cell_length_c 18.53523443
_cell_angle_alpha 80.42024984999999
_cell_angle_beta 80.42024984999999
_cell_angle_gamma 41.3923071... |
InsertBetweenAtomsAction | e5cb9fb5-31d5-4caf-b42a-4dc0f98b5b19 | mp-531661 | Insert a Md atom in the line between atoms at indices 29 and 33, and the inserted atom must be 8.23 angstrom from atom at 29 in the cif file. | data_image0
_chemical_formula_structural Nd10Ti12O39
_chemical_formula_sum "Nd10 Ti12 O39"
_cell_length_a 7.273009
_cell_length_b 10.2912685
_cell_length_c 12.53064596
_cell_angle_alpha 113.59612546
_cell_angle_beta 106.80972901999999
_cell_angle_gamma 88.92613835
_space_... | data_image0
_chemical_formula_structural Nd10Ti12O39Md
_chemical_formula_sum "Nd10 Ti12 O39 Md1"
_cell_length_a 7.273009
_cell_length_b 10.2912685
_cell_length_c 12.53064596
_cell_angle_alpha 113.59612546
_cell_angle_beta 106.80972901999999
_cell_angle_gamma 88.92613835
_... |
InsertBetweenAtomsAction | 453f984f-ee35-480a-9770-2a85da8f851a | mp-1209763 | Insert a Be atom in the line between atoms at indices 21 and 3, and the inserted atom must be 4.60 angstrom from atom at 21 in the cif file. | data_image0
_chemical_formula_structural Rb8Eu4F20
_chemical_formula_sum "Rb8 Eu4 F20"
_cell_length_a 7.019993
_cell_length_b 7.75779
_cell_length_c 11.718263
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_gro... | data_image0
_chemical_formula_structural Rb8Eu4F20Be
_chemical_formula_sum "Rb8 Eu4 F20 Be1"
_cell_length_a 7.019993
_cell_length_b 7.75779
_cell_length_c 11.718263
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... |
InsertBetweenAtomsAction | 354f2c7e-0f77-4791-873a-99e86acacfdb | mp-618177 | Insert a Al atom in the line between atoms at indices 3 and 9, and the inserted atom must be 2.23 angstrom from atom at 3 in the cif file. | data_image0
_chemical_formula_structural K8Zn4Cl16
_chemical_formula_sum "K8 Zn4 Cl16"
_cell_length_a 7.1589231
_cell_length_b 8.87527911
_cell_length_c 12.57361805
_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 K8Zn4Cl16Al
_chemical_formula_sum "K8 Zn4 Cl16 Al1"
_cell_length_a 7.1589231
_cell_length_b 8.87527911
_cell_length_c 12.57361805
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
InsertBetweenAtomsAction | 161ac161-221f-4f37-a75b-2e096b0900b3 | mp-1217947 | Insert a La atom in the line between atoms at indices 31 and 33, and the inserted atom must be 5.82 angstrom from atom at 31 in the cif file. | data_image0
_chemical_formula_structural Ta4Nb4Ag8O24
_chemical_formula_sum "Ta4 Nb4 Ag8 O24"
_cell_length_a 5.614271
_cell_length_b 5.686728
_cell_length_c 15.851884
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_s... | data_image0
_chemical_formula_structural Ta4Nb4Ag8O24La
_chemical_formula_sum "Ta4 Nb4 Ag8 O24 La1"
_cell_length_a 5.614271
_cell_length_b 5.686728
_cell_length_c 15.851884
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... |
InsertBetweenAtomsAction | 2a878ae6-77e9-40a7-af06-cd25afd62bad | mp-1033433 | Insert a Y atom in the line between atoms at indices 12 and 10, and the inserted atom must be 0.67 angstrom from atom at 12 in the cif file. | data_image0
_chemical_formula_structural SrMg6NbO8
_chemical_formula_sum "Sr1 Mg6 Nb1 O8"
_cell_length_a 8.92237953
_cell_length_b 4.49102413
_cell_length_c 4.49102413
_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 SrMg6NbO8Y
_chemical_formula_sum "Sr1 Mg6 Nb1 O8 Y1"
_cell_length_a 8.92237953
_cell_length_b 4.49102413
_cell_length_c 4.49102413
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
InsertBetweenAtomsAction | f379d8eb-889a-4ebd-ae64-4bfad7def277 | mp-1193262 | Insert a Db atom in the line between atoms at indices 1 and 24, and the inserted atom must be 1.04 angstrom from atom at 1 in the cif file. | data_image0
_chemical_formula_structural Ce2Fe18Si8
_chemical_formula_sum "Ce2 Fe18 Si8"
_cell_length_a 7.791859
_cell_length_b 7.791859
_cell_length_c 7.97863255
_cell_angle_alpha 119.22859988999998
_cell_angle_beta 119.22859988999998
_cell_angle_gamma 90.0
_space_group_... | data_image0
_chemical_formula_structural Ce2Fe18Si8Db
_chemical_formula_sum "Ce2 Fe18 Si8 Db1"
_cell_length_a 7.791859
_cell_length_b 7.791859
_cell_length_c 7.97863255
_cell_angle_alpha 119.22859988999998
_cell_angle_beta 119.22859988999998
_cell_angle_gamma 90.0
_space_... |
InsertBetweenAtomsAction | 546acb4d-5a1b-4015-b96e-f665adf2ea95 | mp-1200661 | Insert a Ni atom in the line between atoms at indices 25 and 15, and the inserted atom must be 5.79 angstrom from atom at 25 in the cif file. | data_image0
_chemical_formula_structural K4Na12In36
_chemical_formula_sum "K4 Na12 In36"
_cell_length_a 9.90093006
_cell_length_b 9.90093006
_cell_length_c 17.79098968
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 117.70560703999999
_space_group_name_H-M_... | data_image0
_chemical_formula_structural K4Na12In36Ni
_chemical_formula_sum "K4 Na12 In36 Ni1"
_cell_length_a 9.90093006
_cell_length_b 9.90093006
_cell_length_c 17.79098968
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 117.70560703999999
_space_group_nam... |
InsertBetweenAtomsAction | a02f841a-9f78-4ace-bee9-0d7965cbe2a7 | mp-23702 | Insert a B atom in the line between atoms at indices 2 and 12, and the inserted atom must be 3.22 angstrom from atom at 2 in the cif file. | data_image0
_chemical_formula_structural Li4H8N4
_chemical_formula_sum "Li4 H8 N4"
_cell_length_a 4.93582519
_cell_length_b 4.93582403
_cell_length_c 6.17904506
_cell_angle_alpha 113.54069253
_cell_angle_beta 113.54068121000002
_cell_angle_gamma 89.99999577999999
_space_g... | data_image0
_chemical_formula_structural Li4H8N4B
_chemical_formula_sum "Li4 H8 N4 B1"
_cell_length_a 4.93582519
_cell_length_b 4.93582403
_cell_length_c 6.17904506
_cell_angle_alpha 113.54069253
_cell_angle_beta 113.54068121000002
_cell_angle_gamma 89.99999577999999
_spa... |
InsertBetweenAtomsAction | 479c0f40-4d28-4793-87bd-bd7033cefb41 | mp-1026931 | Insert a Au atom in the line between atoms at indices 7 and 8, and the inserted atom must be 1.00 angstrom from atom at 7 in the cif file. | data_image0
_chemical_formula_structural Te2Mo3WSe4S2
_chemical_formula_sum "Te2 Mo3 W1 Se4 S2"
_cell_length_a 3.34707973
_cell_length_b 3.34707973
_cell_length_c 38.097169
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999471999999
_space_group_name... | data_image0
_chemical_formula_structural Te2Mo3WSe4S2Au
_chemical_formula_sum "Te2 Mo3 W1 Se4 S2 Au1"
_cell_length_a 3.34707973
_cell_length_b 3.34707973
_cell_length_c 38.097169
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999471999999
_space_grou... |
InsertBetweenAtomsAction | 6eb3eab1-51d8-4ea0-a008-93bdb4dfeb4f | mp-2230054 | Insert a Os atom in the line between atoms at indices 14 and 12, and the inserted atom must be 1.19 angstrom from atom at 14 in the cif file. | data_image0
_chemical_formula_structural MgCu6O2F10
_chemical_formula_sum "Mg1 Cu6 O2 F10"
_cell_length_a 7.94494959
_cell_length_b 5.121785429999999
_cell_length_c 5.64517934
_cell_angle_alpha 95.16250544
_cell_angle_beta 92.9587146
_cell_angle_gamma 84.02053913999998
_s... | data_image0
_chemical_formula_structural MgCu6O2F10Os
_chemical_formula_sum "Mg1 Cu6 O2 F10 Os1"
_cell_length_a 7.94494959
_cell_length_b 5.121785429999999
_cell_length_c 5.64517934
_cell_angle_alpha 95.16250544
_cell_angle_beta 92.9587146
_cell_angle_gamma 84.020539139999... |
InsertBetweenAtomsAction | 78e6999b-c0da-420f-8cdd-8bd263859498 | mp-850249 | Insert a K atom in the line between atoms at indices 11 and 16, and the inserted atom must be 2.68 angstrom from atom at 11 in the cif file. | data_image0
_chemical_formula_structural Fe8S10
_chemical_formula_sum "Fe8 S10"
_cell_length_a 7.85387303
_cell_length_b 7.85835612
_cell_length_c 10.20474771
_cell_angle_alpha 89.26431358
_cell_angle_beta 91.28775421000002
_cell_angle_gamma 90.00550234999999
_space_group... | data_image0
_chemical_formula_structural Fe8S10K
_chemical_formula_sum "Fe8 S10 K1"
_cell_length_a 7.85387303
_cell_length_b 7.85835612
_cell_length_c 10.20474771
_cell_angle_alpha 89.26431358
_cell_angle_beta 91.28775421000002
_cell_angle_gamma 90.00550234999999
_space_g... |
InsertBetweenAtomsAction | 32d22eef-e072-4c53-94ca-b8576c29db4d | mp-1223914 | Insert a Mo atom in the line between atoms at indices 12 and 14, and the inserted atom must be 4.14 angstrom from atom at 12 in the cif file. | data_image0
_chemical_formula_structural Ho4ZrAl15
_chemical_formula_sum "Ho4 Zr1 Al15"
_cell_length_a 4.207757
_cell_length_b 4.207757
_cell_length_c 21.101916
_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 Ho4ZrAl15Mo
_chemical_formula_sum "Ho4 Zr1 Al15 Mo1"
_cell_length_a 4.207757
_cell_length_b 4.207757
_cell_length_c 21.101916
_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 | 01423a5c-6259-4cda-ab6a-225b3302c97b | mp-2231066 | Insert a Mo atom in the line between atoms at indices 6 and 13, and the inserted atom must be 5.45 angstrom from atom at 6 in the cif file. | data_image0
_chemical_formula_structural K8MgTi2O8
_chemical_formula_sum "K8 Mg1 Ti2 O8"
_cell_length_a 8.18203921
_cell_length_b 8.18203921
_cell_length_c 6.64335206
_cell_angle_alpha 106.62125926
_cell_angle_beta 106.62125926
_cell_angle_gamma 79.53757545999999
_space_g... | data_image0
_chemical_formula_structural K8MgTi2O8Mo
_chemical_formula_sum "K8 Mg1 Ti2 O8 Mo1"
_cell_length_a 8.18203921
_cell_length_b 8.18203921
_cell_length_c 6.64335206
_cell_angle_alpha 106.62125926
_cell_angle_beta 106.62125926
_cell_angle_gamma 79.53757545999999
_s... |
InsertBetweenAtomsAction | 6ddfab35-7945-4c3e-8f6d-8bcb205b0d5b | mp-42981 | Insert a Mo atom in the line between atoms at indices 21 and 28, and the inserted atom must be 1.31 angstrom from atom at 21 in the cif file. | data_image0
_chemical_formula_structural Na4Gd4Ti4Nb4O24F4
_chemical_formula_sum "Na4 Gd4 Ti4 Nb4 O24 F4"
_cell_length_a 7.355463
_cell_length_b 7.355463
_cell_length_c 10.410171
_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 Na4Gd4Ti4Nb4O24F4Mo
_chemical_formula_sum "Na4 Gd4 Ti4 Nb4 O24 F4 Mo1"
_cell_length_a 7.355463
_cell_length_b 7.355463
_cell_length_c 10.410171
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H... |
InsertBetweenAtomsAction | 2e5a3f4a-f40a-4638-a0a4-b5914522f580 | mp-540876 | Insert a Fr atom in the line between atoms at indices 4 and 15, and the inserted atom must be 7.70 angstrom from atom at 4 in the cif file. | data_image0
_chemical_formula_structural K2Th4P6O24
_chemical_formula_sum "K2 Th4 P6 O24"
_cell_length_a 9.56026706
_cell_length_b 9.560267059999997
_cell_length_c 8.233831920000002
_cell_angle_alpha 78.8105945
_cell_angle_beta 78.8105945
_cell_angle_gamma 42.36745654
_sp... | data_image0
_chemical_formula_structural K2Th4P6O24Fr
_chemical_formula_sum "K2 Th4 P6 O24 Fr1"
_cell_length_a 9.56026706
_cell_length_b 9.560267059999997
_cell_length_c 8.233831920000002
_cell_angle_alpha 78.8105945
_cell_angle_beta 78.8105945
_cell_angle_gamma 42.3674565... |
InsertBetweenAtomsAction | ac3b1ba0-02be-4302-a996-b02f20e38e15 | mp-676305 | Insert a F atom in the line between atoms at indices 3 and 18, and the inserted atom must be 0.43 angstrom from atom at 3 in the cif file. | data_image0
_chemical_formula_structural Mg8Sb4O18
_chemical_formula_sum "Mg8 Sb4 O18"
_cell_length_a 5.17879035
_cell_length_b 5.5631624
_cell_length_c 11.707019670000001
_cell_angle_alpha 98.16276452
_cell_angle_beta 102.73882857
_cell_angle_gamma 90.74375438
_space_gro... | data_image0
_chemical_formula_structural Mg8Sb4O18F
_chemical_formula_sum "Mg8 Sb4 O18 F1"
_cell_length_a 5.17879035
_cell_length_b 5.5631624
_cell_length_c 11.707019670000001
_cell_angle_alpha 98.16276452
_cell_angle_beta 102.73882857
_cell_angle_gamma 90.74375438
_space... |
InsertBetweenAtomsAction | 6cf16fb3-1e69-4fde-a7ea-1aa0d5ac16f5 | mp-695020 | Insert a Fl atom in the line between atoms at indices 20 and 12, and the inserted atom must be 0.88 angstrom from atom at 20 in the cif file. | data_image0
_chemical_formula_structural Na8Ga6Si6N2O28
_chemical_formula_sum "Na8 Ga6 Si6 N2 O28"
_cell_length_a 9.22651473
_cell_length_b 9.263441159999998
_cell_length_c 9.40644479
_cell_angle_alpha 89.69481915
_cell_angle_beta 90.06347053
_cell_angle_gamma 89.40421226
... | data_image0
_chemical_formula_structural Na8Ga6Si6N2O28Fl
_chemical_formula_sum "Na8 Ga6 Si6 N2 O28 Fl1"
_cell_length_a 9.22651473
_cell_length_b 9.263441159999998
_cell_length_c 9.40644479
_cell_angle_alpha 89.69481915
_cell_angle_beta 90.06347053
_cell_angle_gamma 89.404... |
InsertBetweenAtomsAction | 231d8a89-a9ae-493c-9392-b56e8b5edbe2 | mp-2215902 | Insert a Ho atom in the line between atoms at indices 13 and 11, and the inserted atom must be 3.73 angstrom from atom at 13 in the cif file. | data_image0
_chemical_formula_structural MgCu2Rh4O8
_chemical_formula_sum "Mg1 Cu2 Rh4 O8"
_cell_length_a 6.37190541
_cell_length_b 6.371854860000001
_cell_length_c 6.02917077
_cell_angle_alpha 90.05795307
_cell_angle_beta 118.18941429
_cell_angle_gamma 123.50880287
_spac... | data_image0
_chemical_formula_structural MgCu2Rh4O8Ho
_chemical_formula_sum "Mg1 Cu2 Rh4 O8 Ho1"
_cell_length_a 6.37190541
_cell_length_b 6.371854860000001
_cell_length_c 6.02917077
_cell_angle_alpha 90.05795307
_cell_angle_beta 118.18941429
_cell_angle_gamma 123.50880287
... |
InsertBetweenAtomsAction | 30f4761d-d85e-462b-9687-73a07df376ae | mp-760927 | Insert a Pd atom in the line between atoms at indices 5 and 31, and the inserted atom must be 1.57 angstrom from atom at 5 in the cif file. | data_image0
_chemical_formula_structural Na4Ti4P4O20
_chemical_formula_sum "Na4 Ti4 P4 O20"
_cell_length_a 6.547784
_cell_length_b 7.496283
_cell_length_c 7.817011
_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 Na4Ti4P4O20Pd
_chemical_formula_sum "Na4 Ti4 P4 O20 Pd1"
_cell_length_a 6.547784
_cell_length_b 7.496283
_cell_length_c 7.817011
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... |
InsertBetweenAtomsAction | 6788387f-2a63-4de1-adfb-f7d26bed6d0a | mp-563048 | Insert a No atom in the line between atoms at indices 18 and 15, and the inserted atom must be 3.08 angstrom from atom at 18 in the cif file. | data_image0
_chemical_formula_structural KFe3H6S2O14
_chemical_formula_sum "K1 Fe3 H6 S2 O14"
_cell_length_a 8.5991059
_cell_length_b 8.59910613
_cell_length_c 8.59910581
_cell_angle_alpha 66.12383906
_cell_angle_beta 66.12383544
_cell_angle_gamma 66.1238335
_space_group_... | data_image0
_chemical_formula_structural KFe3H6S2O14No
_chemical_formula_sum "K1 Fe3 H6 S2 O14 No1"
_cell_length_a 8.5991059
_cell_length_b 8.59910613
_cell_length_c 8.59910581
_cell_angle_alpha 66.12383906
_cell_angle_beta 66.12383544
_cell_angle_gamma 66.1238335
_space_... |
InsertBetweenAtomsAction | 7da388e6-f2f8-4895-a9ee-85ef654f896b | mp-1208067 | Insert a Li atom in the line between atoms at indices 23 and 22, and the inserted atom must be 0.77 angstrom from atom at 23 in the cif file. | data_image0
_chemical_formula_structural Tm16Cd4Pd4
_chemical_formula_sum "Tm16 Cd4 Pd4"
_cell_length_a 9.49881182
_cell_length_b 9.49868892
_cell_length_c 9.49875746
_cell_angle_alpha 59.99933265
_cell_angle_beta 59.99960467
_cell_angle_gamma 59.99946519
_space_group_nam... | data_image0
_chemical_formula_structural Tm16Cd4Pd4Li
_chemical_formula_sum "Tm16 Cd4 Pd4 Li1"
_cell_length_a 9.49881182
_cell_length_b 9.49868892
_cell_length_c 9.49875746
_cell_angle_alpha 59.99933265
_cell_angle_beta 59.99960467
_cell_angle_gamma 59.99946519
_space_gro... |
InsertBetweenAtomsAction | 1668316b-e0b4-4e8e-a7cc-246060d7cfc4 | mp-1020707 | Insert a Bk atom in the line between atoms at indices 17 and 28, and the inserted atom must be 1.42 angstrom from atom at 17 in the cif file. | data_image0
_chemical_formula_structural Rb8Ge4B16O36
_chemical_formula_sum "Rb8 Ge4 B16 O36"
_cell_length_a 10.066798
_cell_length_b 6.729355
_cell_length_c 13.46842072
_cell_angle_alpha 89.64486262
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Rb8Ge4B16O36Bk
_chemical_formula_sum "Rb8 Ge4 B16 O36 Bk1"
_cell_length_a 10.066798
_cell_length_b 6.729355
_cell_length_c 13.46842072
_cell_angle_alpha 89.64486262
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M... |
InsertBetweenAtomsAction | 6ab37dc9-8396-4076-a55f-caf30a5f3971 | mp-771389 | Insert a Bk atom in the line between atoms at indices 36 and 52, and the inserted atom must be 2.22 angstrom from atom at 36 in the cif file. | data_image0
_chemical_formula_structural Li8V12Bi4O32
_chemical_formula_sum "Li8 V12 Bi4 O32"
_cell_length_a 8.71215
_cell_length_b 8.79877885
_cell_length_c 8.80335959
_cell_angle_alpha 89.98981681000001
_cell_angle_beta 89.94922797
_cell_angle_gamma 89.77499762
_space_g... | data_image0
_chemical_formula_structural Li8V12Bi4O32Bk
_chemical_formula_sum "Li8 V12 Bi4 O32 Bk1"
_cell_length_a 8.71215
_cell_length_b 8.79877885
_cell_length_c 8.80335959
_cell_angle_alpha 89.98981681000001
_cell_angle_beta 89.94922797
_cell_angle_gamma 89.77499762
_s... |
InsertBetweenAtomsAction | aef0b050-9bfd-4b34-ae42-4340bf2af695 | mp-1245147 | Insert a Bh atom in the line between atoms at indices 32 and 52, and the inserted atom must be 2.40 angstrom from atom at 32 in the cif file. | data_image0
_chemical_formula_structural Cr16Fe16O48
_chemical_formula_sum "Cr16 Fe16 O48"
_cell_length_a 10.0212608
_cell_length_b 10.93656827
_cell_length_c 9.347078629999999
_cell_angle_alpha 91.27039423999999
_cell_angle_beta 93.00455529
_cell_angle_gamma 89.3856701099... | data_image0
_chemical_formula_structural Cr16Fe16O48Bh
_chemical_formula_sum "Cr16 Fe16 O48 Bh1"
_cell_length_a 10.0212608
_cell_length_b 10.93656827
_cell_length_c 9.347078629999999
_cell_angle_alpha 91.27039423999999
_cell_angle_beta 93.00455529
_cell_angle_gamma 89.3856... |
InsertBetweenAtomsAction | a7346b3e-ac4a-4c33-8aa6-4c14d41bd964 | mp-1219581 | Insert a Nh atom in the line between atoms at indices 4 and 17, and the inserted atom must be 2.62 angstrom from atom at 4 in the cif file. | data_image0
_chemical_formula_structural Rb2Mg2Al2F12
_chemical_formula_sum "Rb2 Mg2 Al2 F12"
_cell_length_a 7.15675315
_cell_length_b 7.156753149999999
_cell_length_c 7.15675315
_cell_angle_alpha 120.42557155
_cell_angle_beta 119.40563128000001
_cell_angle_gamma 90.148508... | data_image0
_chemical_formula_structural Rb2Mg2Al2F12Nh
_chemical_formula_sum "Rb2 Mg2 Al2 F12 Nh1"
_cell_length_a 7.15675315
_cell_length_b 7.156753149999999
_cell_length_c 7.15675315
_cell_angle_alpha 120.42557155
_cell_angle_beta 119.40563128000001
_cell_angle_gamma 90.... |
InsertBetweenAtomsAction | 3ab2e17c-010c-47e6-a1b7-af9764fa52c9 | mp-776732 | Insert a Se atom in the line between atoms at indices 2 and 11, and the inserted atom must be 2.02 angstrom from atom at 2 in the cif file. | data_image0
_chemical_formula_structural Li2Fe3F8
_chemical_formula_sum "Li2 Fe3 F8"
_cell_length_a 6.2334377
_cell_length_b 6.2334377
_cell_length_c 6.233437549999999
_cell_angle_alpha 59.31060473
_cell_angle_beta 59.310604729999994
_cell_angle_gamma 59.310609109999994
_... | data_image0
_chemical_formula_structural Li2Fe3F8Se
_chemical_formula_sum "Li2 Fe3 F8 Se1"
_cell_length_a 6.2334377
_cell_length_b 6.2334377
_cell_length_c 6.233437549999999
_cell_angle_alpha 59.31060473
_cell_angle_beta 59.310604729999994
_cell_angle_gamma 59.310609109999... |
InsertBetweenAtomsAction | 5a589fe5-3fb3-414e-93b6-feb040ee45d8 | mp-779526 | Insert a Zn atom in the line between atoms at indices 3 and 17, and the inserted atom must be 1.35 angstrom from atom at 3 in the cif file. | data_image0
_chemical_formula_structural Fe10O14F6
_chemical_formula_sum "Fe10 O14 F6"
_cell_length_a 4.66250841
_cell_length_b 4.662508409999999
_cell_length_c 15.263086439999999
_cell_angle_alpha 89.97313512
_cell_angle_beta 89.97313512
_cell_angle_gamma 91.42331972
_sp... | data_image0
_chemical_formula_structural Fe10O14F6Zn
_chemical_formula_sum "Fe10 O14 F6 Zn1"
_cell_length_a 4.66250841
_cell_length_b 4.662508409999999
_cell_length_c 15.263086439999999
_cell_angle_alpha 89.97313512
_cell_angle_beta 89.97313512
_cell_angle_gamma 91.4233197... |
InsertBetweenAtomsAction | 3f1369d4-22b5-45fb-b5e9-ce88c9457a71 | mp-776832 | Insert a Ne atom in the line between atoms at indices 49 and 20, and the inserted atom must be 6.64 angstrom from atom at 49 in the cif file. | data_image0
_chemical_formula_structural Mn7SbP12O48
_chemical_formula_sum "Mn7 Sb1 P12 O48"
_cell_length_a 8.4872352
_cell_length_b 8.47984749
_cell_length_c 11.82462584
_cell_angle_alpha 90.03725513
_cell_angle_beta 89.97815392000001
_cell_angle_gamma 90.01172787
_space... | data_image0
_chemical_formula_structural Mn7SbP12O48Ne
_chemical_formula_sum "Mn7 Sb1 P12 O48 Ne1"
_cell_length_a 8.4872352
_cell_length_b 8.47984749
_cell_length_c 11.82462584
_cell_angle_alpha 90.03725513
_cell_angle_beta 89.97815392000001
_cell_angle_gamma 90.01172787
... |
InsertBetweenAtomsAction | 0f293bcc-0906-44ba-94bd-cbc527020562 | mp-542493 | Insert a Ca atom in the line between atoms at indices 24 and 14, and the inserted atom must be 3.70 angstrom from atom at 24 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 Sc10Co8Si20Ca
_chemical_formula_sum "Sc10 Co8 Si20 Ca1"
_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 | 6c051196-9af2-4f6d-a516-5546db59eeb3 | mp-1811207 | Insert a V atom in the line between atoms at indices 11 and 0, and the inserted atom must be 1.96 angstrom from atom at 11 in the cif file. | data_image0
_chemical_formula_structural Ca2Ti4S8
_chemical_formula_sum "Ca2 Ti4 S8"
_cell_length_a 7.57230625
_cell_length_b 7.57230674
_cell_length_c 7.56058097
_cell_angle_alpha 119.44504818000001
_cell_angle_beta 121.60871166
_cell_angle_gamma 89.19031634999999
_space... | data_image0
_chemical_formula_structural Ca2Ti4S8V
_chemical_formula_sum "Ca2 Ti4 S8 V1"
_cell_length_a 7.57230625
_cell_length_b 7.57230674
_cell_length_c 7.56058097
_cell_angle_alpha 119.44504818000001
_cell_angle_beta 121.60871166
_cell_angle_gamma 89.19031634999999
_s... |
InsertBetweenAtomsAction | f371303e-51ee-410f-8c70-f7c46321d023 | mp-1045681 | Insert a Mt atom in the line between atoms at indices 9 and 50, and the inserted atom must be 4.45 angstrom from atom at 9 in the cif file. | data_image0
_chemical_formula_structural Mg8Sb8As16Se8O56
_chemical_formula_sum "Mg8 Sb8 As16 Se8 O56"
_cell_length_a 10.63966254
_cell_length_b 13.52879227
_cell_length_c 13.52471817
_cell_angle_alpha 81.13835569
_cell_angle_beta 66.83762353
_cell_angle_gamma 66.830633739... | data_image0
_chemical_formula_structural Mg8Sb8As16Se8O56Mt
_chemical_formula_sum "Mg8 Sb8 As16 Se8 O56 Mt1"
_cell_length_a 10.63966254
_cell_length_b 13.52879227
_cell_length_c 13.52471817
_cell_angle_alpha 81.13835569
_cell_angle_beta 66.83762353
_cell_angle_gamma 66.830... |
InsertBetweenAtomsAction | 670cc26f-539e-4830-9f51-425d5192e0a5 | mp-2321 | Insert a Md atom in the line between atoms at indices 2 and 15, and the inserted atom must be 0.86 angstrom from atom at 2 in the cif file. | data_image0
_chemical_formula_structural Tb6Ge10
_chemical_formula_sum "Tb6 Ge10"
_cell_length_a 5.7646017
_cell_length_b 7.46210898
_cell_length_c 9.12937743
_cell_angle_alpha 82.99785231
_cell_angle_beta 71.59589664
_cell_angle_gamma 67.28637543
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural Tb6Ge10Md
_chemical_formula_sum "Tb6 Ge10 Md1"
_cell_length_a 5.7646017
_cell_length_b 7.46210898
_cell_length_c 9.12937743
_cell_angle_alpha 82.99785231
_cell_angle_beta 71.59589664
_cell_angle_gamma 67.28637543
_space_group_name_... |
InsertBetweenAtomsAction | c981977a-1d4f-4cfb-871f-a1c689d1d6cf | mp-1105652 | Insert a Zn atom in the line between atoms at indices 6 and 10, and the inserted atom must be 1.56 angstrom from atom at 6 in the cif file. | data_image0
_chemical_formula_structural YbCo4P12
_chemical_formula_sum "Yb1 Co4 P12"
_cell_length_a 6.71855447
_cell_length_b 6.718554469999999
_cell_length_c 6.71855447
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_space_gr... | data_image0
_chemical_formula_structural YbCo4P12Zn
_chemical_formula_sum "Yb1 Co4 P12 Zn1"
_cell_length_a 6.71855447
_cell_length_b 6.718554469999999
_cell_length_c 6.71855447
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_sp... |
InsertBetweenAtomsAction | acf98941-48ba-4a37-9495-2d814f7f7ec0 | mp-570598 | Insert a Tc atom in the line between atoms at indices 0 and 22, and the inserted atom must be 3.38 angstrom from atom at 0 in the cif file. | data_image0
_chemical_formula_structural Sr2Si14N20
_chemical_formula_sum "Sr2 Si14 N20"
_cell_length_a 6.72778808
_cell_length_b 6.83504655
_cell_length_c 9.60918669
_cell_angle_alpha 73.85418394
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Sr2Si14N20Tc
_chemical_formula_sum "Sr2 Si14 N20 Tc1"
_cell_length_a 6.72778808
_cell_length_b 6.83504655
_cell_length_c 9.60918669
_cell_angle_alpha 73.85418394
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_al... |
InsertBetweenAtomsAction | 829ad487-5395-4ac2-8fca-dd254e8e745a | mp-1238897 | Insert a Cs atom in the line between atoms at indices 11 and 21, and the inserted atom must be 3.52 angstrom from atom at 11 in the cif file. | data_image0
_chemical_formula_structural Ti4Cr4Ag4S16
_chemical_formula_sum "Ti4 Cr4 Ag4 S16"
_cell_length_a 6.475615
_cell_length_b 7.69109295
_cell_length_c 12.85135469
_cell_angle_alpha 98.47946294
_cell_angle_beta 95.52817443
_cell_angle_gamma 89.94978949999998
_space... | data_image0
_chemical_formula_structural Ti4Cr4Ag4S16Cs
_chemical_formula_sum "Ti4 Cr4 Ag4 S16 Cs1"
_cell_length_a 6.475615
_cell_length_b 7.69109295
_cell_length_c 12.85135469
_cell_angle_alpha 98.47946294
_cell_angle_beta 95.52817443
_cell_angle_gamma 89.94978949999998
... |
InsertBetweenAtomsAction | 44fbb1e4-37b4-44e5-be3a-239a476880bf | mp-541694 | Insert a Se atom in the line between atoms at indices 13 and 5, and the inserted atom must be 7.44 angstrom from atom at 13 in the cif file. | data_image0
_chemical_formula_structural K8Na12Si4P12
_chemical_formula_sum "K8 Na12 Si4 P12"
_cell_length_a 4.800822
_cell_length_b 13.222475
_cell_length_c 14.663715
_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 K8Na12Si4P12Se
_chemical_formula_sum "K8 Na12 Si4 P12 Se1"
_cell_length_a 4.800822
_cell_length_b 13.222475
_cell_length_c 14.663715
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... |
InsertBetweenAtomsAction | 0a92ac31-862c-4f4e-8836-e4eb4aab554b | mp-2229552 | Insert a Na atom in the line between atoms at indices 16 and 5, and the inserted atom must be 4.46 angstrom from atom at 16 in the cif file. | data_image0
_chemical_formula_structural MgTi4Zn2O10
_chemical_formula_sum "Mg1 Ti4 Zn2 O10"
_cell_length_a 3.941108
_cell_length_b 5.45161165
_cell_length_c 11.020717
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 111.19230556
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural MgTi4Zn2O10Na
_chemical_formula_sum "Mg1 Ti4 Zn2 O10 Na1"
_cell_length_a 3.941108
_cell_length_b 5.45161165
_cell_length_c 11.020717
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 111.19230556
_space_group_name_H-M_... |
InsertBetweenAtomsAction | dacd3bc1-05e9-482b-9a6b-3dc932c1351e | mp-755668 | Insert a Mo atom in the line between atoms at indices 11 and 3, and the inserted atom must be 1.06 angstrom from atom at 11 in the cif file. | data_image0
_chemical_formula_structural Li8Ti4Mn4O16
_chemical_formula_sum "Li8 Ti4 Mn4 O16"
_cell_length_a 5.99744383
_cell_length_b 6.03957809
_cell_length_c 8.730582660000001
_cell_angle_alpha 90.00022835
_cell_angle_beta 89.99975295
_cell_angle_gamma 90.09988504
_spa... | data_image0
_chemical_formula_structural Li8Ti4Mn4O16Mo
_chemical_formula_sum "Li8 Ti4 Mn4 O16 Mo1"
_cell_length_a 5.99744383
_cell_length_b 6.03957809
_cell_length_c 8.730582660000001
_cell_angle_alpha 90.00022835
_cell_angle_beta 89.99975295
_cell_angle_gamma 90.09988504... |
InsertBetweenAtomsAction | ff3eca9a-99bc-43e6-b2ef-c3cc1107c7e4 | mp-1233972 | Insert a Tc atom in the line between atoms at indices 0 and 16, and the inserted atom must be 2.84 angstrom from atom at 0 in the cif file. | data_image0
_chemical_formula_structural K2MgFe4P6O16F12
_chemical_formula_sum "K2 Mg1 Fe4 P6 O16 F12"
_cell_length_a 7.43008289
_cell_length_b 7.97766556
_cell_length_c 10.67987818
_cell_angle_alpha 100.48071168
_cell_angle_beta 109.86194711999998
_cell_angle_gamma 91.902... | data_image0
_chemical_formula_structural K2MgFe4P6O16F12Tc
_chemical_formula_sum "K2 Mg1 Fe4 P6 O16 F12 Tc1"
_cell_length_a 7.43008289
_cell_length_b 7.97766556
_cell_length_c 10.67987818
_cell_angle_alpha 100.48071168
_cell_angle_beta 109.86194711999998
_cell_angle_gamma ... |
InsertBetweenAtomsAction | 3c3dafae-a1d7-4719-b847-0e093b1696f6 | mp-1213157 | Insert a Bh atom in the line between atoms at indices 7 and 8, and the inserted atom must be 0.79 angstrom from atom at 7 in the cif file. | data_image0
_chemical_formula_structural CsScW2O8
_chemical_formula_sum "Cs1 Sc1 W2 O8"
_cell_length_a 5.9272544
_cell_length_b 5.9272544
_cell_length_c 8.105797
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000445999999
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural CsScW2O8Bh
_chemical_formula_sum "Cs1 Sc1 W2 O8 Bh1"
_cell_length_a 5.9272544
_cell_length_b 5.9272544
_cell_length_c 8.105797
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000445999999
_space_group_name_H-M_... |
InsertBetweenAtomsAction | b0b471b2-8cdf-49d5-b30e-a108a7504012 | mp-771567 | Insert a Th atom in the line between atoms at indices 28 and 21, and the inserted atom must be 3.84 angstrom from atom at 28 in the cif file. | data_image0
_chemical_formula_structural LiTi3MnCrP6O24
_chemical_formula_sum "Li1 Ti3 Mn1 Cr1 P6 O24"
_cell_length_a 8.62920587
_cell_length_b 8.62920587
_cell_length_c 8.62920614
_cell_angle_alpha 59.92284299999999
_cell_angle_beta 59.92284299999999
_cell_angle_gamma 59.... | data_image0
_chemical_formula_structural LiTi3MnCrP6O24Th
_chemical_formula_sum "Li1 Ti3 Mn1 Cr1 P6 O24 Th1"
_cell_length_a 8.62920587
_cell_length_b 8.62920587
_cell_length_c 8.62920614
_cell_angle_alpha 59.92284299999999
_cell_angle_beta 59.92284299999999
_cell_angle_gamma ... |
InsertBetweenAtomsAction | db30cfc5-957e-4c29-a2ab-166292058ccb | mp-1017129 | Insert a Nh atom in the line between atoms at indices 12 and 4, and the inserted atom must be 2.02 angstrom from atom at 12 in the cif file. | data_image0
_chemical_formula_structural Mg12Bi2Sb2
_chemical_formula_sum "Mg12 Bi2 Sb2"
_cell_length_a 5.312534
_cell_length_b 6.518096
_cell_length_c 11.369786
_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 Mg12Bi2Sb2Nh
_chemical_formula_sum "Mg12 Bi2 Sb2 Nh1"
_cell_length_a 5.312534
_cell_length_b 6.518096
_cell_length_c 11.369786
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
InsertBetweenAtomsAction | 95b17af9-70f5-4d1c-9d2c-03e63d308026 | mp-551214 | Insert a Lu atom in the line between atoms at indices 5 and 0, and the inserted atom must be 1.35 angstrom from atom at 5 in the cif file. | data_image0
_chemical_formula_structural Ce2Cr2S4O2
_chemical_formula_sum "Ce2 Cr2 S4 O2"
_cell_length_a 5.95918329
_cell_length_b 5.95918329
_cell_length_c 8.0268865
_cell_angle_alpha 89.79610506000002
_cell_angle_beta 89.79610506000002
_cell_angle_gamma 36.96267960999999... | data_image0
_chemical_formula_structural Ce2Cr2S4O2Lu
_chemical_formula_sum "Ce2 Cr2 S4 O2 Lu1"
_cell_length_a 5.95918329
_cell_length_b 5.95918329
_cell_length_c 8.0268865
_cell_angle_alpha 89.79610506000002
_cell_angle_beta 89.79610506000002
_cell_angle_gamma 36.96267960... |
InsertBetweenAtomsAction | 417072f3-e8ef-4e0e-91ae-9ccd1fd7f0a2 | mp-765641 | Insert a Po atom in the line between atoms at indices 50 and 51, and the inserted atom must be 1.80 angstrom from atom at 50 in the cif file. | data_image0
_chemical_formula_structural Li8Fe8P8O32
_chemical_formula_sum "Li8 Fe8 P8 O32"
_cell_length_a 4.935367
_cell_length_b 7.702235
_cell_length_c 18.4794473
_cell_angle_alpha 89.25448525
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Li8Fe8P8O32Po
_chemical_formula_sum "Li8 Fe8 P8 O32 Po1"
_cell_length_a 4.935367
_cell_length_b 7.702235
_cell_length_c 18.4794473
_cell_angle_alpha 89.25448525
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... |
InsertBetweenAtomsAction | abf17c25-bc1d-48ec-8915-19486eeadb22 | mp-1045890 | Insert a V 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 Zn2Co9O13
_chemical_formula_sum "Zn2 Co9 O13"
_cell_length_a 5.17148885
_cell_length_b 5.17148885
_cell_length_c 16.773860490000004
_cell_angle_alpha 81.65832548
_cell_angle_beta 81.65832548
_cell_angle_gamma 32.881875320000006
_sp... | data_image0
_chemical_formula_structural Zn2Co9O13V
_chemical_formula_sum "Zn2 Co9 O13 V1"
_cell_length_a 5.17148885
_cell_length_b 5.17148885
_cell_length_c 16.773860490000004
_cell_angle_alpha 81.65832548
_cell_angle_beta 81.65832548
_cell_angle_gamma 32.881875320000006
... |
InsertBetweenAtomsAction | 1bb25d42-9b95-447c-82a1-adfeb8a38753 | mp-866871 | Insert a Mt atom in the line between atoms at indices 2 and 12, and the inserted atom must be 2.23 angstrom from atom at 2 in the cif file. | data_image0
_chemical_formula_structural Ca8Sn2S12
_chemical_formula_sum "Ca8 Sn2 S12"
_cell_length_a 7.95022386
_cell_length_b 7.95022386
_cell_length_c 7.95022379
_cell_angle_alpha 90.73042548
_cell_angle_beta 90.73042548
_cell_angle_gamma 90.7304229
_space_group_name_H... | data_image0
_chemical_formula_structural Ca8Sn2S12Mt
_chemical_formula_sum "Ca8 Sn2 S12 Mt1"
_cell_length_a 7.95022386
_cell_length_b 7.95022386
_cell_length_c 7.95022379
_cell_angle_alpha 90.73042548
_cell_angle_beta 90.73042548
_cell_angle_gamma 90.7304229
_space_group_... |
InsertBetweenAtomsAction | 9ebb71e1-06b5-4289-95c0-ad07a19d05f4 | mp-754722 | Insert a Og atom in the line between atoms at indices 15 and 5, and the inserted atom must be 3.06 angstrom from atom at 15 in the cif file. | data_image0
_chemical_formula_structural Li4Ti3MnO8
_chemical_formula_sum "Li4 Ti3 Mn1 O8"
_cell_length_a 10.46644375
_cell_length_b 10.46641435
_cell_length_c 14.82520226
_cell_angle_alpha 19.268148019999995
_cell_angle_beta 19.267467279999984
_cell_angle_gamma 33.2065633... | data_image0
_chemical_formula_structural Li4Ti3MnO8Og
_chemical_formula_sum "Li4 Ti3 Mn1 O8 Og1"
_cell_length_a 10.46644375
_cell_length_b 10.46641435
_cell_length_c 14.82520226
_cell_angle_alpha 19.268148019999995
_cell_angle_beta 19.267467279999984
_cell_angle_gamma 33.2... |
InsertBetweenAtomsAction | 37805cbb-0985-4432-b742-48d8aafcd6f7 | mp-1520316 | Insert a Tm atom in the line between atoms at indices 13 and 17, and the inserted atom must be 1.93 angstrom from atom at 13 in the cif file. | data_image0
_chemical_formula_structural KGdNb4O12
_chemical_formula_sum "K1 Gd1 Nb4 O12"
_cell_length_a 5.60185288
_cell_length_b 5.60185288
_cell_length_c 7.97247476
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.41459261
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural KGdNb4O12Tm
_chemical_formula_sum "K1 Gd1 Nb4 O12 Tm1"
_cell_length_a 5.60185288
_cell_length_b 5.60185288
_cell_length_c 7.97247476
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.41459261
_space_group_name_H-M_a... |
InsertBetweenAtomsAction | abff51b1-e45e-4189-8e9d-8d39614e2cd4 | mp-1042875 | Insert a V atom in the line between atoms at indices 6 and 28, and the inserted atom must be 2.81 angstrom from atom at 6 in the cif file. | data_image0
_chemical_formula_structural Mn4As8O28
_chemical_formula_sum "Mn4 As8 O28"
_cell_length_a 9.313185
_cell_length_b 6.942376
_cell_length_c 9.63071261
_cell_angle_alpha 74.29205336
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... | data_image0
_chemical_formula_structural Mn4As8O28V
_chemical_formula_sum "Mn4 As8 O28 V1"
_cell_length_a 9.313185
_cell_length_b 6.942376
_cell_length_c 9.63071261
_cell_angle_alpha 74.29205336
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
InsertBetweenAtomsAction | f88feade-9d83-4ee3-8e04-2fb23a25ee47 | mp-1102196 | Insert a Th atom in the line between atoms at indices 7 and 8, and the inserted atom must be 4.11 angstrom from atom at 7 in the cif file. | data_image0
_chemical_formula_structural Er4Ga4Ir4
_chemical_formula_sum "Er4 Ga4 Ir4"
_cell_length_a 4.26142818
_cell_length_b 6.73400898
_cell_length_c 7.72532401
_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 Er4Ga4Ir4Th
_chemical_formula_sum "Er4 Ga4 Ir4 Th1"
_cell_length_a 4.26142818
_cell_length_b 6.73400898
_cell_length_c 7.72532401
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
InsertBetweenAtomsAction | 17dbda3a-d2f9-4ac5-9ae5-208586085e6d | mp-1207656 | Insert a Tc atom in the line between atoms at indices 31 and 28, and the inserted atom must be 1.75 angstrom from atom at 31 in the cif file. | data_image0
_chemical_formula_structural Y4Pt4F28
_chemical_formula_sum "Y4 Pt4 F28"
_cell_length_a 5.41969803
_cell_length_b 8.78192589
_cell_length_c 11.88004866
_cell_angle_alpha 62.30397471
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural Y4Pt4F28Tc
_chemical_formula_sum "Y4 Pt4 F28 Tc1"
_cell_length_a 5.41969803
_cell_length_b 8.78192589
_cell_length_c 11.88004866
_cell_angle_alpha 62.30397471
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | e0c16fb6-c2f4-4de6-bf5a-35463da11253 | mp-28748 | Insert a Fe atom in the line between atoms at indices 13 and 12, and the inserted atom must be 5.67 angstrom from atom at 13 in the cif file. | data_image0
_chemical_formula_structural Y6Ir2I6
_chemical_formula_sum "Y6 Ir2 I6"
_cell_length_a 4.2875557
_cell_length_b 8.80719215
_cell_length_c 12.26134567
_cell_angle_alpha 93.86336369
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... | data_image0
_chemical_formula_structural Y6Ir2I6Fe
_chemical_formula_sum "Y6 Ir2 I6 Fe1"
_cell_length_a 4.2875557
_cell_length_b 8.80719215
_cell_length_c 12.26134567
_cell_angle_alpha 93.86336369
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... |
InsertBetweenAtomsAction | c0f005dc-9f5c-46a2-af4c-887cb5a67362 | mp-1226677 | Insert a Pm atom in the line between atoms at indices 2 and 10, and the inserted atom must be 5.10 angstrom from atom at 2 in the cif file. | data_image0
_chemical_formula_structural CeHo4S7
_chemical_formula_sum "Ce1 Ho4 S7"
_cell_length_a 6.79201866
_cell_length_b 6.792018659999999
_cell_length_c 11.609863210000002
_cell_angle_alpha 75.80654176
_cell_angle_beta 75.80654176
_cell_angle_gamma 32.62256165
_space... | data_image0
_chemical_formula_structural CeHo4S7Pm
_chemical_formula_sum "Ce1 Ho4 S7 Pm1"
_cell_length_a 6.79201866
_cell_length_b 6.792018659999999
_cell_length_c 11.609863210000002
_cell_angle_alpha 75.80654176
_cell_angle_beta 75.80654176
_cell_angle_gamma 32.62256165
... |
InsertBetweenAtomsAction | e594e2e4-948a-4bb6-b3ad-33b3f4614bd1 | mp-768873 | Insert a Db atom in the line between atoms at indices 28 and 19, and the inserted atom must be 2.11 angstrom from atom at 28 in the cif file. | data_image0
_chemical_formula_structural Y8Ge4O20
_chemical_formula_sum "Y8 Ge4 O20"
_cell_length_a 6.92273925
_cell_length_b 6.76157492
_cell_length_c 9.31830165
_cell_angle_alpha 80.69413633000002
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Y8Ge4O20Db
_chemical_formula_sum "Y8 Ge4 O20 Db1"
_cell_length_a 6.92273925
_cell_length_b 6.76157492
_cell_length_c 9.31830165
_cell_angle_alpha 80.69413633000002
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... |
InsertBetweenAtomsAction | bf73356b-7ccc-4349-ac79-d3e30313224d | mp-1205559 | Insert a Ar atom in the line between atoms at indices 3 and 7, and the inserted atom must be 1.06 angstrom from atom at 3 in the cif file. | data_image0
_chemical_formula_structural Yb2In2Br6
_chemical_formula_sum "Yb2 In2 Br6"
_cell_length_a 8.60833185
_cell_length_b 8.60833185
_cell_length_c 10.73531721
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 155.74950681
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Yb2In2Br6Ar
_chemical_formula_sum "Yb2 In2 Br6 Ar1"
_cell_length_a 8.60833185
_cell_length_b 8.60833185
_cell_length_c 10.73531721
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 155.74950681
_space_group_name_H-M_al... |
InsertBetweenAtomsAction | c5e52607-d3e4-46a5-9597-16c749f127cb | mp-1201107 | Insert a Mc atom in the line between atoms at indices 73 and 77, and the inserted atom must be 1.99 angstrom from atom at 73 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 Zn2B20H52O16Mc
_chemical_formula_sum "Zn2 B20 H52 O16 Mc1"
_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 | b855ce4b-8862-4fe4-8f99-9ccdf88bc99d | mp-1228192 | Insert a Tl atom in the line between atoms at indices 4 and 15, and the inserted atom must be 3.94 angstrom from atom at 4 in the cif file. | data_image0
_chemical_formula_structural Al8Si4Mo6
_chemical_formula_sum "Al8 Si4 Mo6"
_cell_length_a 4.8039013
_cell_length_b 4.803901299999999
_cell_length_c 13.45947417
_cell_angle_alpha 84.87054598
_cell_angle_beta 84.87054598
_cell_angle_gamma 119.30885929
_space_gro... | data_image0
_chemical_formula_structural Al8Si4Mo6Tl
_chemical_formula_sum "Al8 Si4 Mo6 Tl1"
_cell_length_a 4.8039013
_cell_length_b 4.803901299999999
_cell_length_c 13.45947417
_cell_angle_alpha 84.87054598
_cell_angle_beta 84.87054598
_cell_angle_gamma 119.30885929
_spa... |
InsertBetweenAtomsAction | f08e2e4b-eadf-4fdb-b025-550e48590954 | mp-770527 | Insert a Er atom in the line between atoms at indices 0 and 9, and the inserted atom must be 1.61 angstrom from atom at 0 in the cif file. | data_image0
_chemical_formula_structural Li4Mn8O18
_chemical_formula_sum "Li4 Mn8 O18"
_cell_length_a 4.93901349
_cell_length_b 4.93901349
_cell_length_c 13.586927
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999311
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Li4Mn8O18Er
_chemical_formula_sum "Li4 Mn8 O18 Er1"
_cell_length_a 4.93901349
_cell_length_b 4.93901349
_cell_length_c 13.586927
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999311
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | 18ac55db-d36d-4ea0-a6ba-156ba9fdc850 | mp-1080028 | Insert a Fe atom in the line between atoms at indices 0 and 9, and the inserted atom must be 1.56 angstrom from atom at 0 in the cif file. | data_image0
_chemical_formula_structural Sr2ZrTiO6
_chemical_formula_sum "Sr2 Zr1 Ti1 O6"
_cell_length_a 5.74935971
_cell_length_b 5.74935971
_cell_length_c 5.74935971
_cell_angle_alpha 120.33852864999999
_cell_angle_beta 120.33852864999999
_cell_angle_gamma 89.4146445
_s... | data_image0
_chemical_formula_structural Sr2ZrTiO6Fe
_chemical_formula_sum "Sr2 Zr1 Ti1 O6 Fe1"
_cell_length_a 5.74935971
_cell_length_b 5.74935971
_cell_length_c 5.74935971
_cell_angle_alpha 120.33852864999999
_cell_angle_beta 120.33852864999999
_cell_angle_gamma 89.41464... |
InsertBetweenAtomsAction | fbe66de6-c4d9-43c1-a0a5-73e3641bb8b5 | mp-1048821 | Insert a Ac atom in the line between atoms at indices 4 and 36, and the inserted atom must be 3.22 angstrom from atom at 4 in the cif file. | data_image0
_chemical_formula_structural Al4Fe12O24
_chemical_formula_sum "Al4 Fe12 O24"
_cell_length_a 5.95108543
_cell_length_b 5.951085429999999
_cell_length_c 14.62563
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999368
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural Al4Fe12O24Ac
_chemical_formula_sum "Al4 Fe12 O24 Ac1"
_cell_length_a 5.95108543
_cell_length_b 5.951085429999999
_cell_length_c 14.62563
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999368
_space_group_name_... |
InsertBetweenAtomsAction | 3fc10d6c-23a9-42e8-9610-ea37149d97b5 | mp-559790 | Insert a Au atom in the line between atoms at indices 32 and 19, and the inserted atom must be 2.26 angstrom from atom at 32 in the cif file. | data_image0
_chemical_formula_structural K4Nb6Cl14O10
_chemical_formula_sum "K4 Nb6 Cl14 O10"
_cell_length_a 9.65668465
_cell_length_b 9.65668465
_cell_length_c 11.31733892
_cell_angle_alpha 69.91254741
_cell_angle_beta 69.91254741
_cell_angle_gamma 55.54566693999999
_spa... | data_image0
_chemical_formula_structural K4Nb6Cl14O10Au
_chemical_formula_sum "K4 Nb6 Cl14 O10 Au1"
_cell_length_a 9.65668465
_cell_length_b 9.65668465
_cell_length_c 11.31733892
_cell_angle_alpha 69.91254741
_cell_angle_beta 69.91254741
_cell_angle_gamma 55.54566693999999... |
InsertBetweenAtomsAction | b2d3472f-248f-4b51-8914-2918d2660ef0 | mp-680113 | Insert a Pt atom in the line between atoms at indices 6 and 32, and the inserted atom must be 4.79 angstrom from atom at 6 in the cif file. | data_image0
_chemical_formula_structural Cd11I22
_chemical_formula_sum "Cd11 I22"
_cell_length_a 4.34388855
_cell_length_b 4.34388855
_cell_length_c 81.037434
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000844999998
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Cd11I22Pt
_chemical_formula_sum "Cd11 I22 Pt1"
_cell_length_a 4.34388855
_cell_length_b 4.34388855
_cell_length_c 81.037434
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000844999998
_space_group_name_H-M_alt... |
InsertBetweenAtomsAction | 6ab4ac27-3e32-4862-9662-ce174baac791 | mp-759788 | Insert a Cr atom in the line between atoms at indices 1 and 13, and the inserted atom must be 1.65 angstrom from atom at 1 in the cif file. | data_image0
_chemical_formula_structural Li4V2O6F2
_chemical_formula_sum "Li4 V2 O6 F2"
_cell_length_a 5.050479
_cell_length_b 5.21350892
_cell_length_c 5.795580870000001
_cell_angle_alpha 91.05051643
_cell_angle_beta 91.29622969
_cell_angle_gamma 111.69033657
_space_grou... | data_image0
_chemical_formula_structural Li4V2O6F2Cr
_chemical_formula_sum "Li4 V2 O6 F2 Cr1"
_cell_length_a 5.050479
_cell_length_b 5.21350892
_cell_length_c 5.795580870000001
_cell_angle_alpha 91.05051643
_cell_angle_beta 91.29622969
_cell_angle_gamma 111.69033657
_spac... |
InsertBetweenAtomsAction | 010382e0-0fe0-4d00-8ebf-f39b16e35bc4 | mp-1218107 | Insert a Sb atom in the line between atoms at indices 7 and 4, and the inserted atom must be 4.89 angstrom from atom at 7 in the cif file. | data_image0
_chemical_formula_structural Sr2Pr2Co2Ru2O12
_chemical_formula_sum "Sr2 Pr2 Co2 Ru2 O12"
_cell_length_a 5.662629
_cell_length_b 5.612396
_cell_length_c 9.70411899
_cell_angle_alpha 54.77886112
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Sr2Pr2Co2Ru2O12Sb
_chemical_formula_sum "Sr2 Pr2 Co2 Ru2 O12 Sb1"
_cell_length_a 5.662629
_cell_length_b 5.612396
_cell_length_c 9.70411899
_cell_angle_alpha 54.77886112
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_nam... |
InsertBetweenAtomsAction | 403dd41f-098b-42cb-8bdf-a17deaf70117 | mp-1202046 | Insert a Ga atom in the line between atoms at indices 2 and 7, and the inserted atom must be 0.82 angstrom from atom at 2 in the cif file. | data_image0
_chemical_formula_structural Sr8P4I4O16
_chemical_formula_sum "Sr8 P4 I4 O16"
_cell_length_a 9.019828
_cell_length_b 8.540954
_cell_length_c 9.22496142
_cell_angle_alpha 67.48799209
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural Sr8P4I4O16Ga
_chemical_formula_sum "Sr8 P4 I4 O16 Ga1"
_cell_length_a 9.019828
_cell_length_b 8.540954
_cell_length_c 9.22496142
_cell_angle_alpha 67.48799209
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | cc6c5093-f5af-47a3-9151-87a2c8de4c6b | mp-770417 | Insert a Ru atom in the line between atoms at indices 6 and 17, and the inserted atom must be 1.26 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 Li4Mn2VNi3P6O24Ru
_chemical_formula_sum "Li4 Mn2 V1 Ni3 P6 O24 Ru1"
_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 | e77a7cc4-3fee-46a5-80d8-45e5c4bb0625 | mp-19420 | Insert a Se atom in the line between atoms at indices 1 and 7, and the inserted atom must be 0.74 angstrom from atom at 1 in the cif file. | data_image0
_chemical_formula_structural Sr2MgWO6
_chemical_formula_sum "Sr2 Mg1 W1 O6"
_cell_length_a 5.60954906
_cell_length_b 5.60954906
_cell_length_c 5.60954906
_cell_angle_alpha 120.38451769000001
_cell_angle_beta 120.38451769000004
_cell_angle_gamma 89.3352761699999... | data_image0
_chemical_formula_structural Sr2MgWO6Se
_chemical_formula_sum "Sr2 Mg1 W1 O6 Se1"
_cell_length_a 5.60954906
_cell_length_b 5.60954906
_cell_length_c 5.60954906
_cell_angle_alpha 120.38451769000001
_cell_angle_beta 120.38451769000004
_cell_angle_gamma 89.3352761... |
InsertBetweenAtomsAction | 8589d75d-5787-497b-b609-be625c37804b | mp-570466 | Insert a Bh atom in the line between atoms at indices 7 and 0, and the inserted atom must be 1.68 angstrom from atom at 7 in the cif file. | data_image0
_chemical_formula_structural Li8Ca4
_chemical_formula_sum "Li8 Ca4"
_cell_length_a 6.19327088
_cell_length_b 6.1932687699999995
_cell_length_c 10.18371546
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000574000002
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural Li8Ca4Bh
_chemical_formula_sum "Li8 Ca4 Bh1"
_cell_length_a 6.19327088
_cell_length_b 6.1932687699999995
_cell_length_c 10.18371546
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000574000002
_space_group_name... |
InsertBetweenAtomsAction | 7014a5c8-6311-4e4e-9560-0d07b7c8bb28 | mp-1221954 | Insert a Am atom in the line between atoms at indices 5 and 0, and the inserted atom must be 1.00 angstrom from atom at 5 in the cif file. | data_image0
_chemical_formula_structural MgTi2ZnO6
_chemical_formula_sum "Mg1 Ti2 Zn1 O6"
_cell_length_a 5.53855859
_cell_length_b 5.53855859
_cell_length_c 5.538558959999999
_cell_angle_alpha 54.98787810999999
_cell_angle_beta 54.987878110000004
_cell_angle_gamma 54.98787... | data_image0
_chemical_formula_structural MgTi2ZnO6Am
_chemical_formula_sum "Mg1 Ti2 Zn1 O6 Am1"
_cell_length_a 5.53855859
_cell_length_b 5.53855859
_cell_length_c 5.538558959999999
_cell_angle_alpha 54.98787810999999
_cell_angle_beta 54.987878110000004
_cell_angle_gamma 54... |
InsertBetweenAtomsAction | 65a0b847-012e-4cb3-9884-74e881ee3539 | mp-1229180 | Insert a Cf atom in the line between atoms at indices 21 and 0, and the inserted atom must be 2.35 angstrom from atom at 21 in the cif file. | data_image0
_chemical_formula_structural Ag8Sb5As3S16
_chemical_formula_sum "Ag8 Sb5 As3 S16"
_cell_length_a 5.973633
_cell_length_b 8.81196699
_cell_length_c 13.715369
_cell_angle_alpha 95.73033089
_cell_angle_beta 90.35217693
_cell_angle_gamma 90.08628863
_space_group_n... | data_image0
_chemical_formula_structural Ag8Sb5As3S16Cf
_chemical_formula_sum "Ag8 Sb5 As3 S16 Cf1"
_cell_length_a 5.973633
_cell_length_b 8.81196699
_cell_length_c 13.715369
_cell_angle_alpha 95.73033089
_cell_angle_beta 90.35217693
_cell_angle_gamma 90.08628863
_space_g... |
InsertBetweenAtomsAction | a9f9d064-c58d-4f36-8e04-1d019e014754 | mp-1232387 | Insert a Hg atom in the line between atoms at indices 1 and 14, and the inserted atom must be 4.44 angstrom from atom at 1 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 Y8Mg4S16Hg
_chemical_formula_sum "Y8 Mg4 S16 Hg1"
_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 | efc680d2-6b1a-44a3-9811-a81ec611fe89 | mp-1216954 | Insert a Mc atom in the line between atoms at indices 13 and 15, and the inserted atom must be 2.31 angstrom from atom at 13 in the cif file. | data_image0
_chemical_formula_structural Tm6Sc6Ge6
_chemical_formula_sum "Tm6 Sc6 Ge6"
_cell_length_a 6.11750201
_cell_length_b 8.67726062
_cell_length_c 9.09550533
_cell_angle_alpha 58.399634080000006
_cell_angle_beta 90.00032653
_cell_angle_gamma 90.00560102
_space_grou... | data_image0
_chemical_formula_structural Tm6Sc6Ge6Mc
_chemical_formula_sum "Tm6 Sc6 Ge6 Mc1"
_cell_length_a 6.11750201
_cell_length_b 8.67726062
_cell_length_c 9.09550533
_cell_angle_alpha 58.399634080000006
_cell_angle_beta 90.00032653
_cell_angle_gamma 90.00560102
_spac... |
InsertBetweenAtomsAction | 7a11f526-bf4b-449f-aeaa-eca276644a3b | mp-2426125 | Insert a Sn atom in the line between atoms at indices 17 and 10, and the inserted atom must be 0.69 angstrom from atom at 17 in the cif file. | data_image0
_chemical_formula_structural Mg18Sn10
_chemical_formula_sum "Mg18 Sn10"
_cell_length_a 8.88839894
_cell_length_b 8.888398940000002
_cell_length_c 8.88839933
_cell_angle_alpha 96.87517038
_cell_angle_beta 96.87517036999999
_cell_angle_gamma 96.87516981
_space_g... | data_image0
_chemical_formula_structural Mg18Sn11
_chemical_formula_sum "Mg18 Sn11"
_cell_length_a 8.88839894
_cell_length_b 8.888398940000002
_cell_length_c 8.88839933
_cell_angle_alpha 96.87517038
_cell_angle_beta 96.87517036999999
_cell_angle_gamma 96.87516981
_space_g... |
InsertBetweenAtomsAction | e928947b-1cc8-49a1-a1a5-4c5fb412e247 | mp-1174883 | Insert a O atom in the line between atoms at indices 5 and 3, and the inserted atom must be 2.36 angstrom from atom at 5 in the cif file. | data_image0
_chemical_formula_structural Li8Mn2Co4O14
_chemical_formula_sum "Li8 Mn2 Co4 O14"
_cell_length_a 5.09190036
_cell_length_b 5.09190036
_cell_length_c 18.027240309999996
_cell_angle_alpha 83.42724665
_cell_angle_beta 83.42724665
_cell_angle_gamma 32.6933560999999... | data_image0
_chemical_formula_structural Li8Mn2Co4O15
_chemical_formula_sum "Li8 Mn2 Co4 O15"
_cell_length_a 5.09190036
_cell_length_b 5.09190036
_cell_length_c 18.027240309999996
_cell_angle_alpha 83.42724665
_cell_angle_beta 83.42724665
_cell_angle_gamma 32.6933560999999... |
InsertBetweenAtomsAction | 5e99726f-9ded-42c1-b025-e896acec7cc0 | mp-1106406 | Insert a Zn atom in the line between atoms at indices 2 and 10, and the inserted atom must be 2.57 angstrom from atom at 2 in the cif file. | data_image0
_chemical_formula_structural Ce4Sn2S10
_chemical_formula_sum "Ce4 Sn2 S10"
_cell_length_a 3.93351799
_cell_length_b 7.87728947
_cell_length_c 11.4720556
_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 Ce4Sn2S10Zn
_chemical_formula_sum "Ce4 Sn2 S10 Zn1"
_cell_length_a 3.93351799
_cell_length_b 7.87728947
_cell_length_c 11.4720556
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
InsertBetweenAtomsAction | 3403764f-6576-4614-91b0-7774eab4bb80 | mp-541006 | Insert a Mc atom in the line between atoms at indices 4 and 6, and the inserted atom must be 3.49 angstrom from atom at 4 in the cif file. | data_image0
_chemical_formula_structural Ba4Tl4V4O16
_chemical_formula_sum "Ba4 Tl4 V4 O16"
_cell_length_a 6.013787
_cell_length_b 8.022234
_cell_length_c 10.631409
_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 Ba4Tl4V4O16Mc
_chemical_formula_sum "Ba4 Tl4 V4 O16 Mc1"
_cell_length_a 6.013787
_cell_length_b 8.022234
_cell_length_c 10.631409
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
InsertBetweenAtomsAction | 485fc3a3-2009-489a-b5e2-8ee2ad689748 | mp-1211876 | Insert a Fm atom in the line between atoms at indices 72 and 68, and the inserted atom must be 2.57 angstrom from atom at 72 in the cif file. | data_image0
_chemical_formula_structural K4Hf24C4Cl60
_chemical_formula_sum "K4 Hf24 C4 Cl60"
_cell_length_a 9.739911
_cell_length_b 13.94139
_cell_length_c 18.577338
_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 K4Hf24C4Cl60Fm
_chemical_formula_sum "K4 Hf24 C4 Cl60 Fm1"
_cell_length_a 9.739911
_cell_length_b 13.94139
_cell_length_c 18.577338
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... |
InsertBetweenAtomsAction | 8a12f8c1-5fe7-41db-a793-0ffc19c64669 | mp-2232781 | Insert a Dy atom in the line between atoms at indices 10 and 0, and the inserted atom must be 2.88 angstrom from atom at 10 in the cif file. | data_image0
_chemical_formula_structural MgTi4Pb2O9F2
_chemical_formula_sum "Mg1 Ti4 Pb2 O9 F2"
_cell_length_a 3.75899027
_cell_length_b 8.611130359999999
_cell_length_c 7.98888701
_cell_angle_alpha 88.15670280999998
_cell_angle_beta 76.39283241
_cell_angle_gamma 77.392941... | data_image0
_chemical_formula_structural MgTi4Pb2O9F2Dy
_chemical_formula_sum "Mg1 Ti4 Pb2 O9 F2 Dy1"
_cell_length_a 3.75899027
_cell_length_b 8.611130359999999
_cell_length_c 7.98888701
_cell_angle_alpha 88.15670280999998
_cell_angle_beta 76.39283241
_cell_angle_gamma 77.... |
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