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 |
|---|---|---|---|---|---|
DeleteAroundAtomAction | 13c13d22-6b6b-46df-92f0-1b3b5c6bc153 | mp-19984 | Delete all atoms within 2.213 angstrom around the atom at index 9 in the cif file. | data_image0
_chemical_formula_structural Tb4B16
_chemical_formula_sum "Tb4 B16"
_cell_length_a 8.521227
_cell_length_b 8.521227
_cell_length_c 4.201706
_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_n... | data_image0
_chemical_formula_structural Tb4B10
_chemical_formula_sum "Tb4 B10"
_cell_length_a 8.521227
_cell_length_b 8.521227
_cell_length_c 4.201706
_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_n... |
DeleteAroundAtomAction | 60daa83a-27ac-48a4-b314-6f724db9d2f0 | mp-2223123 | Delete all atoms within 2.637 angstrom around the atom at index 5 in the cif file. | data_image0
_chemical_formula_structural MgTe2Mo3Se2S2
_chemical_formula_sum "Mg1 Te2 Mo3 Se2 S2"
_cell_length_a 3.342426
_cell_length_b 3.34251085
_cell_length_c 30.961906
_cell_angle_alpha 89.99973867
_cell_angle_beta 89.9999588
_cell_angle_gamma 119.99879355000002
_spa... | data_image0
_chemical_formula_structural MgTe2Mo2S2
_chemical_formula_sum "Mg1 Te2 Mo2 S2"
_cell_length_a 3.342426
_cell_length_b 3.34251085
_cell_length_c 30.961906
_cell_angle_alpha 89.99973867
_cell_angle_beta 89.9999588
_cell_angle_gamma 119.99879355000002
_space_grou... |
DeleteAroundAtomAction | 481d86e3-1bf8-4bf5-bf57-071ea650e549 | mp-1202068 | Delete all atoms within 2.777 angstrom around the atom at index 3 in the cif file. | data_image0
_chemical_formula_structural Pd2C8S8I4N16
_chemical_formula_sum "Pd2 C8 S8 I4 N16"
_cell_length_a 9.834666
_cell_length_b 8.60705372
_cell_length_c 15.214518379999998
_cell_angle_alpha 57.278849029999996
_cell_angle_beta 71.14343923
_cell_angle_gamma 55.1580721... | data_image0
_chemical_formula_structural Pd2C7S5I4N13
_chemical_formula_sum "Pd2 C7 S5 I4 N13"
_cell_length_a 9.834666
_cell_length_b 8.60705372
_cell_length_c 15.214518379999998
_cell_angle_alpha 57.278849029999996
_cell_angle_beta 71.14343923
_cell_angle_gamma 55.1580721... |
DeleteAroundAtomAction | 1d76e4da-8337-4267-bb65-5fe62f37d9fd | mp-1189241 | Delete all atoms within 3.761 angstrom around the atom at index 5 in the cif file. | data_image0
_chemical_formula_structural Gd4As8Au4
_chemical_formula_sum "Gd4 As8 Au4"
_cell_length_a 4.04655659
_cell_length_b 4.04655659
_cell_length_c 20.504219
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.1389069
_space_group_name_H-M_alt "P 1"... | data_image0
_chemical_formula_structural Gd3As5Au2
_chemical_formula_sum "Gd3 As5 Au2"
_cell_length_a 4.04655659
_cell_length_b 4.04655659
_cell_length_c 20.504219
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.1389069
_space_group_name_H-M_alt "P 1"... |
DeleteAroundAtomAction | 2b25a213-5345-4743-af9e-96423f239109 | mp-559738 | Delete all atoms within 3.914 angstrom around the atom at index 36 in the cif file. | data_image0
_chemical_formula_structural Sb8S8N8Cl40
_chemical_formula_sum "Sb8 S8 N8 Cl40"
_cell_length_a 13.73769578
_cell_length_b 13.73769578
_cell_length_c 13.73769578
_cell_angle_alpha 111.41202979
_cell_angle_beta 111.41202979
_cell_angle_gamma 105.65566722000001
_... | data_image0
_chemical_formula_structural Sb7S7N7Cl35
_chemical_formula_sum "Sb7 S7 N7 Cl35"
_cell_length_a 13.73769578
_cell_length_b 13.73769578
_cell_length_c 13.73769578
_cell_angle_alpha 111.41202979
_cell_angle_beta 111.41202979
_cell_angle_gamma 105.65566722000001
_... |
DeleteAroundAtomAction | 542a74de-bd28-4632-b7dc-5a3dad4252df | mp-1247837 | Delete all atoms within 3.222 angstrom around the atom at index 18 in the cif file. | data_image0
_chemical_formula_structural Al16Zn8S32
_chemical_formula_sum "Al16 Zn8 S32"
_cell_length_a 6.159869
_cell_length_b 7.399954
_cell_length_c 26.387573
_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 Al16Zn7S28
_chemical_formula_sum "Al16 Zn7 S28"
_cell_length_a 6.159869
_cell_length_b 7.399954
_cell_length_c 26.387573
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_... |
DeleteAroundAtomAction | b2e17d96-4569-4330-8c8a-1a304d5f9166 | mp-1217186 | Delete all atoms within 3.15 angstrom around the atom at index 13 in the cif file. | data_image0
_chemical_formula_structural Ti3Sn5S12
_chemical_formula_sum "Ti3 Sn5 S12"
_cell_length_a 3.61936051
_cell_length_b 9.1720841
_cell_length_c 13.81562008
_cell_angle_alpha 89.56937859
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Ti2Sn4S11
_chemical_formula_sum "Ti2 Sn4 S11"
_cell_length_a 3.61936051
_cell_length_b 9.1720841
_cell_length_c 13.81562008
_cell_angle_alpha 89.56937859
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
DeleteAroundAtomAction | f2b3c761-40f6-4876-9edb-10af4429984b | mp-561216 | Delete all atoms within 3.365 angstrom around the atom at index 24 in the cif file. | data_image0
_chemical_formula_structural Cu8Ge8O24
_chemical_formula_sum "Cu8 Ge8 O24"
_cell_length_a 7.73822104
_cell_length_b 7.73822104
_cell_length_c 8.71447
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 100.64867754
_space_group_name_H-M_alt "P 1"... | data_image0
_chemical_formula_structural Cu6Ge6O15
_chemical_formula_sum "Cu6 Ge6 O15"
_cell_length_a 7.73822104
_cell_length_b 7.73822104
_cell_length_c 8.71447
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 100.64867754
_space_group_name_H-M_alt "P 1"... |
DeleteAroundAtomAction | 4800f788-be88-46df-a3f6-a8c3d6512ec9 | mp-1029153 | Delete all atoms within 3.512 angstrom around the atom at index 2 in the cif file. | data_image0
_chemical_formula_structural Te2Mo2W2Se4S2
_chemical_formula_sum "Te2 Mo2 W2 Se4 S2"
_cell_length_a 3.34167077
_cell_length_b 3.34167077
_cell_length_c 38.037908
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00001524
_space_group_name_H-M_... | data_image0
_chemical_formula_structural MoW2Se4S2
_chemical_formula_sum "Mo1 W2 Se4 S2"
_cell_length_a 3.34167077
_cell_length_b 3.34167077
_cell_length_c 38.037908
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00001524
_space_group_name_H-M_alt "... |
DeleteAroundAtomAction | dc7ada6e-8a81-49df-a1f9-3286daeff0a0 | mp-1245133 | Delete all atoms within 2.521 angstrom around the atom at index 48 in the cif file. | data_image0
_chemical_formula_structural Sn40O40
_chemical_formula_sum "Sn40 O40"
_cell_length_a 11.74637383
_cell_length_b 12.838853849999998
_cell_length_c 11.717428899999998
_cell_angle_alpha 89.04503959
_cell_angle_beta 92.05166865
_cell_angle_gamma 88.32496439999998
... | data_image0
_chemical_formula_structural Sn37O39
_chemical_formula_sum "Sn37 O39"
_cell_length_a 11.74637383
_cell_length_b 12.838853849999998
_cell_length_c 11.717428899999998
_cell_angle_alpha 89.04503959
_cell_angle_beta 92.05166865
_cell_angle_gamma 88.32496439999998
... |
DeleteAroundAtomAction | 86b5a40e-d8d1-42e7-b2f7-49e1cca6b010 | mp-1522961 | Delete all atoms within 2.329 angstrom around the atom at index 3 in the cif file. | data_image0
_chemical_formula_structural NaSrNbSbO6
_chemical_formula_sum "Na1 Sr1 Nb1 Sb1 O6"
_cell_length_a 5.82188153
_cell_length_b 5.82188153
_cell_length_c 5.82188153
_cell_angle_alpha 60.00000000000001
_cell_angle_beta 60.00000000000001
_cell_angle_gamma 60.00000000... | data_image0
_chemical_formula_structural NaSrNb
_chemical_formula_sum "Na1 Sr1 Nb1"
_cell_length_a 5.82188153
_cell_length_b 5.82188153
_cell_length_c 5.82188153
_cell_angle_alpha 60.00000000000001
_cell_angle_beta 60.00000000000001
_cell_angle_gamma 60.00000000000001
_sp... |
DeleteAroundAtomAction | d07fe3b3-9341-4d34-9e31-3bc5def0b3eb | mp-1181899 | Delete all atoms within 2.465 angstrom around the atom at index 5 in the cif file. | data_image0
_chemical_formula_structural Cd2Br4O8
_chemical_formula_sum "Cd2 Br4 O8"
_cell_length_a 9.518223
_cell_length_b 3.703541
_cell_length_c 7.59514437
_cell_angle_alpha 63.57413614
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_sp... | data_image0
_chemical_formula_structural Cd2Br3O6
_chemical_formula_sum "Cd2 Br3 O6"
_cell_length_a 9.518223
_cell_length_b 3.703541
_cell_length_c 7.59514437
_cell_angle_alpha 63.57413614
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_sp... |
DeleteAroundAtomAction | 823e0144-7c90-41ae-8499-30234b63375b | mp-1214420 | Delete all atoms within 2.549 angstrom around the atom at index 8 in the cif file. | data_image0
_chemical_formula_structural Ba2Hf2F12
_chemical_formula_sum "Ba2 Hf2 F12"
_cell_length_a 6.86460262
_cell_length_b 6.864602619999999
_cell_length_c 5.46341565
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 113.32893431999999
_space_group_name_... | data_image0
_chemical_formula_structural Ba2HfF10
_chemical_formula_sum "Ba2 Hf1 F10"
_cell_length_a 6.86460262
_cell_length_b 6.864602619999999
_cell_length_c 5.46341565
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 113.32893431999999
_space_group_name_H... |
DeleteAroundAtomAction | 37c33b15-a1fa-4a62-8af5-3b4e56baef7e | mp-30650 | Delete all atoms within 3.549 angstrom around the atom at index 4 in the cif file. | data_image0
_chemical_formula_structural Mg12Ga6
_chemical_formula_sum "Mg12 Ga6"
_cell_length_a 7.64864885
_cell_length_b 7.64864804
_cell_length_c 6.98307274
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00003825999998
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Mg4Ga
_chemical_formula_sum "Mg4 Ga1"
_cell_length_a 7.64864885
_cell_length_b 7.64864804
_cell_length_c 6.98307274
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00003825999998
_space_group_name_H-M_alt "P 1... |
DeleteAroundAtomAction | 36ebf88a-0f7b-4cff-9071-91e52221b6f2 | mp-1173764 | Delete all atoms within 3.854 angstrom around the atom at index 32 in the cif file. | data_image0
_chemical_formula_structural Na5Ce3Ti6Nb2O24
_chemical_formula_sum "Na5 Ce3 Ti6 Nb2 O24"
_cell_length_a 5.53853843
_cell_length_b 5.51219945
_cell_length_c 15.52114946
_cell_angle_alpha 89.94664857
_cell_angle_beta 90.00032967
_cell_angle_gamma 90.0447047100000... | data_image0
_chemical_formula_structural Na2Ce2Ti5NbO16
_chemical_formula_sum "Na2 Ce2 Ti5 Nb1 O16"
_cell_length_a 5.53853843
_cell_length_b 5.51219945
_cell_length_c 15.52114946
_cell_angle_alpha 89.94664857
_cell_angle_beta 90.00032967
_cell_angle_gamma 90.04470471000002... |
DeleteAroundAtomAction | 83bbd6d4-a9c0-487e-b680-c573b7c4db48 | mp-773104 | Delete all atoms within 3.48 angstrom around the atom at index 68 in the cif file. | data_image0
_chemical_formula_structural Sr24Fe16O55
_chemical_formula_sum "Sr24 Fe16 O55"
_cell_length_a 11.92926253
_cell_length_b 11.92926253
_cell_length_c 11.06873282
_cell_angle_alpha 76.58739133
_cell_angle_beta 76.58739133
_cell_angle_gamma 117.50833022000002
_spa... | data_image0
_chemical_formula_structural Sr19Fe15O50
_chemical_formula_sum "Sr19 Fe15 O50"
_cell_length_a 11.92926253
_cell_length_b 11.92926253
_cell_length_c 11.06873282
_cell_angle_alpha 76.58739133
_cell_angle_beta 76.58739133
_cell_angle_gamma 117.50833022000002
_spa... |
DeleteAroundAtomAction | 0a69d83c-3060-403b-ac2d-36784b95a2d2 | mp-1193261 | Delete all atoms within 1.672 angstrom around the atom at index 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 Cs4H4C4N7O7
_chemical_formula_sum "Cs4 H4 C4 N7 O7"
_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_... |
DeleteAroundAtomAction | 163782d6-0a84-465e-b9ed-01448df57fd5 | mp-761166 | Delete all atoms within 2.352 angstrom around the atom at index 8 in the cif file. | data_image0
_chemical_formula_structural Li2Fe2F6
_chemical_formula_sum "Li2 Fe2 F6"
_cell_length_a 5.26450736
_cell_length_b 5.26450736
_cell_length_c 5.58662632
_cell_angle_alpha 62.53720544
_cell_angle_beta 62.53720544
_cell_angle_gamma 59.64166649999999
_space_group_n... | data_image0
_chemical_formula_structural F5
_chemical_formula_sum "F5"
_cell_length_a 5.26450736
_cell_length_b 5.26450736
_cell_length_c 5.58662632
_cell_angle_alpha 62.53720544
_cell_angle_beta 62.53720544
_cell_angle_gamma 59.64166649999999
_space_group_name_H-M_alt ... |
DeleteAroundAtomAction | 8e2e8908-4057-4a2c-b720-201859c4fd23 | mp-690575 | Delete all atoms within 1.971 angstrom around the atom at index 5 in the cif file. | data_image0
_chemical_formula_structural Nb4Ni2O12
_chemical_formula_sum "Nb4 Ni2 O12"
_cell_length_a 5.64998711
_cell_length_b 5.64998711
_cell_length_c 6.7760536899999995
_cell_angle_alpha 88.35719593
_cell_angle_beta 88.35719593
_cell_angle_gamma 71.38183627
_space_gro... | data_image0
_chemical_formula_structural Nb4NiO11
_chemical_formula_sum "Nb4 Ni1 O11"
_cell_length_a 5.64998711
_cell_length_b 5.64998711
_cell_length_c 6.7760536899999995
_cell_angle_alpha 88.35719593
_cell_angle_beta 88.35719593
_cell_angle_gamma 71.38183627
_space_grou... |
DeleteAroundAtomAction | 3d30b91f-9310-4c0a-8d8b-9758e72d092d | mp-1272968 | Delete all atoms within 3.728 angstrom around the atom at index 10 in the cif file. | data_image0
_chemical_formula_structural Na2V4O8
_chemical_formula_sum "Na2 V4 O8"
_cell_length_a 5.19210069
_cell_length_b 5.94416701
_cell_length_c 6.629173150000001
_cell_angle_alpha 116.63727697
_cell_angle_beta 103.43049897
_cell_angle_gamma 89.99560242
_space_group_... | data_image0
_chemical_formula_structural O
_chemical_formula_sum "O1"
_cell_length_a 5.19210069
_cell_length_b 5.94416701
_cell_length_c 6.629173150000001
_cell_angle_alpha 116.63727697
_cell_angle_beta 103.43049897
_cell_angle_gamma 89.99560242
_space_group_name_H-M_alt ... |
DeleteAroundAtomAction | f2f17c33-b2ca-47dd-9463-abc565633659 | mp-1199536 | Delete all atoms within 3.68 angstrom around the atom at index 2 in the cif file. | data_image0
_chemical_formula_structural Sn4Mo4H24C8O16
_chemical_formula_sum "Sn4 Mo4 H24 C8 O16"
_cell_length_a 7.380515
_cell_length_b 7.443991
_cell_length_c 13.73188
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural Sn3Mo4H18C6O12
_chemical_formula_sum "Sn3 Mo4 H18 C6 O12"
_cell_length_a 7.380515
_cell_length_b 7.443991
_cell_length_c 13.73188
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
DeleteAroundAtomAction | 83cab424-5357-4bdd-9506-f53bd51fa5ef | mp-558119 | Delete all atoms within 3.653 angstrom around the atom at index 5 in the cif file. | data_image0
_chemical_formula_structural Lu16Mo16O44
_chemical_formula_sum "Lu16 Mo16 O44"
_cell_length_a 5.668748
_cell_length_b 10.6688185
_cell_length_c 15.86257151
_cell_angle_alpha 90.49133601
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Lu11Mo14O37
_chemical_formula_sum "Lu11 Mo14 O37"
_cell_length_a 5.668748
_cell_length_b 10.6688185
_cell_length_c 15.86257151
_cell_angle_alpha 90.49133601
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
DeleteAroundAtomAction | a86fc70b-9a19-40f6-983e-7c20dc4c9a9d | mp-758218 | Delete all atoms within 2.304 angstrom around the atom at index 43 in the cif file. | data_image0
_chemical_formula_structural Li4Ti4P8O28
_chemical_formula_sum "Li4 Ti4 P8 O28"
_cell_length_a 5.179646
_cell_length_b 8.678552
_cell_length_c 13.48411447
_cell_angle_alpha 62.84568576
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Li3Ti3P7O27
_chemical_formula_sum "Li3 Ti3 P7 O27"
_cell_length_a 5.179646
_cell_length_b 8.678552
_cell_length_c 13.48411447
_cell_angle_alpha 62.84568576
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... |
DeleteAroundAtomAction | 577c6ff3-ea37-4428-a055-a119316efeb3 | mp-557992 | Delete all atoms within 2.331 angstrom around the atom at index 17 in the cif file. | data_image0
_chemical_formula_structural In4Te4Cl4O12
_chemical_formula_sum "In4 Te4 Cl4 O12"
_cell_length_a 7.031733
_cell_length_b 7.196003
_cell_length_c 8.64328525
_cell_angle_alpha 77.23700394
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural In3Te3Cl4O11
_chemical_formula_sum "In3 Te3 Cl4 O11"
_cell_length_a 7.031733
_cell_length_b 7.196003
_cell_length_c 8.64328525
_cell_angle_alpha 77.23700394
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
DeleteAroundAtomAction | e10e2618-ea99-4b24-a59b-1fa20caf860b | mp-20817 | Delete all atoms within 3.312 angstrom around the atom at index 5 in the cif file. | data_image0
_chemical_formula_structural Ge4Pt4Se4
_chemical_formula_sum "Ge4 Pt4 Se4"
_cell_length_a 6.02894882
_cell_length_b 6.05269499
_cell_length_c 6.11051989
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... | data_image0
_chemical_formula_structural GePt3Se
_chemical_formula_sum "Ge1 Pt3 Se1"
_cell_length_a 6.02894882
_cell_length_b 6.05269499
_cell_length_c 6.11051989
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space... |
DeleteAroundAtomAction | 2b8578f0-6770-4249-9d3a-5751135df921 | mp-1027923 | Delete all atoms within 3.973 angstrom around the atom at index 1 in the cif file. | data_image0
_chemical_formula_structural SrMg14Zr
_chemical_formula_sum "Sr1 Mg14 Zr1"
_cell_length_a 6.57608356
_cell_length_b 6.61396989
_cell_length_c 10.42359233
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.19076941
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural SrMg4Zr
_chemical_formula_sum "Sr1 Mg4 Zr1"
_cell_length_a 6.57608356
_cell_length_b 6.61396989
_cell_length_c 10.42359233
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.19076941
_space_group_name_H-M_alt "P ... |
DeleteAroundAtomAction | 43759746-239f-4c5f-a897-c9178d0db776 | mp-669334 | Delete all atoms within 3.641 angstrom around the atom at index 40 in the cif file. | data_image0
_chemical_formula_structural Cd15I30
_chemical_formula_sum "Cd15 I30"
_cell_length_a 4.34447773
_cell_length_b 4.34447773
_cell_length_c 110.424958
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999586
_space_group_name_H-M_alt "P 1"
_... | data_image0
_chemical_formula_structural Cd14I29
_chemical_formula_sum "Cd14 I29"
_cell_length_a 4.34447773
_cell_length_b 4.34447773
_cell_length_c 110.424958
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999586
_space_group_name_H-M_alt "P 1"
_... |
DeleteAroundAtomAction | 9b7d5b11-2e6c-45da-be24-3d4949c1cb17 | mp-560545 | Delete all atoms within 3.187 angstrom around the atom at index 5 in the cif file. | data_image0
_chemical_formula_structural Na4Ca2As8O24
_chemical_formula_sum "Na4 Ca2 As8 O24"
_cell_length_a 10.131248
_cell_length_b 10.131248
_cell_length_c 5.239611
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... | data_image0
_chemical_formula_structural Na4CaAs8O16
_chemical_formula_sum "Na4 Ca1 As8 O16"
_cell_length_a 10.131248
_cell_length_b 10.131248
_cell_length_c 5.239611
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_s... |
DeleteAroundAtomAction | 1eba3f3d-c303-4c3e-afc4-db4e906a8e13 | mp-20083 | Delete all atoms within 3.902 angstrom around the atom at index 0 in the cif file. | data_image0
_chemical_formula_structural Sc4Cu4Si4
_chemical_formula_sum "Sc4 Cu4 Si4"
_cell_length_a 3.94833885
_cell_length_b 6.53023046
_cell_length_c 7.16051603
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... | data_image0
_chemical_formula_structural Sc
_chemical_formula_sum "Sc1"
_cell_length_a 3.94833885
_cell_length_b 6.53023046
_cell_length_c 7.16051603
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_group_IT_num... |
DeleteAroundAtomAction | 0c572501-13ae-4c49-8fa0-127b1c034222 | mp-20250 | Delete all atoms within 2.952 angstrom around the atom at index 2 in the cif file. | data_image0
_chemical_formula_structural Pd8S8
_chemical_formula_sum "Pd8 S8"
_cell_length_a 6.47221786
_cell_length_b 6.47221786
_cell_length_c 6.6355318
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_group_I... | data_image0
_chemical_formula_structural Pd7S4
_chemical_formula_sum "Pd7 S4"
_cell_length_a 6.47221786
_cell_length_b 6.47221786
_cell_length_c 6.6355318
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_group_I... |
DeleteAroundAtomAction | e4310473-6202-4659-a0ce-2ec3a8dd927a | mp-13211 | Delete all atoms within 3.055 angstrom around the atom at index 13 in the cif file. | data_image0
_chemical_formula_structural Ag4Te4O14
_chemical_formula_sum "Ag4 Te4 O14"
_cell_length_a 7.32596274
_cell_length_b 7.32592416
_cell_length_c 7.32592584
_cell_angle_alpha 120.35561923
_cell_angle_beta 117.89328692000001
_cell_angle_gamma 91.53610832000001
_spa... | data_image0
_chemical_formula_structural Ag2Te2O5
_chemical_formula_sum "Ag2 Te2 O5"
_cell_length_a 7.32596274
_cell_length_b 7.32592416
_cell_length_c 7.32592584
_cell_angle_alpha 120.35561923
_cell_angle_beta 117.89328692000001
_cell_angle_gamma 91.53610832000001
_space... |
DeleteAroundAtomAction | 54b7509c-997d-4e7e-a2c6-ae3c4b592372 | mp-10244 | Delete all atoms within 3.123 angstrom around the atom at index 1 in the cif file. | data_image0
_chemical_formula_structural Zr3Cu4Si4
_chemical_formula_sum "Zr3 Cu4 Si4"
_cell_length_a 3.92810485
_cell_length_b 6.36160577
_cell_length_c 7.52624214
_cell_angle_alpha 115.00265899
_cell_angle_beta 105.09630502
_cell_angle_gamma 90.00160276
_space_group_nam... | data_image0
_chemical_formula_structural Zr2Si
_chemical_formula_sum "Zr2 Si1"
_cell_length_a 3.92810485
_cell_length_b 6.36160577
_cell_length_c 7.52624214
_cell_angle_alpha 115.00265899
_cell_angle_beta 105.09630502
_cell_angle_gamma 90.00160276
_space_group_name_H-M_al... |
DeleteAroundAtomAction | 2bfef6e8-c2d9-42ee-b398-b948cf7a24d5 | mp-758795 | Delete all atoms within 1.909 angstrom around the atom at index 27 in the cif file. | data_image0
_chemical_formula_structural Li8Fe8Si12O36
_chemical_formula_sum "Li8 Fe8 Si12 O36"
_cell_length_a 7.32447
_cell_length_b 10.657702
_cell_length_c 12.39328977
_cell_angle_alpha 68.47111259
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Li8Fe8Si11O32
_chemical_formula_sum "Li8 Fe8 Si11 O32"
_cell_length_a 7.32447
_cell_length_b 10.657702
_cell_length_c 12.39328977
_cell_angle_alpha 68.47111259
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
DeleteAroundAtomAction | ecd7b6a5-7188-41e3-bf91-b89b73d554bf | mp-762374 | Delete all atoms within 3.81 angstrom around the atom at index 31 in the cif file. | data_image0
_chemical_formula_structural Li4La3Nb12O36
_chemical_formula_sum "Li4 La3 Nb12 O36"
_cell_length_a 9.80564201
_cell_length_b 9.80564201
_cell_length_c 11.309894320000001
_cell_angle_alpha 72.8782134
_cell_angle_beta 72.8782134
_cell_angle_gamma 47.9613330499999... | data_image0
_chemical_formula_structural Li3La3Nb10O27
_chemical_formula_sum "Li3 La3 Nb10 O27"
_cell_length_a 9.80564201
_cell_length_b 9.80564201
_cell_length_c 11.309894320000001
_cell_angle_alpha 72.8782134
_cell_angle_beta 72.8782134
_cell_angle_gamma 47.9613330499999... |
DeleteAroundAtomAction | 81e8066a-3189-4d25-9e07-54da10b1e6c5 | mp-1190647 | Delete all atoms within 2.871 angstrom around the atom at index 15 in the cif file. | data_image0
_chemical_formula_structural Ge6F16
_chemical_formula_sum "Ge6 F16"
_cell_length_a 4.95938389
_cell_length_b 5.07969646
_cell_length_c 11.6762519
_cell_angle_alpha 90.0
_cell_angle_beta 90.8456569
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spac... | data_image0
_chemical_formula_structural Ge4F9
_chemical_formula_sum "Ge4 F9"
_cell_length_a 4.95938389
_cell_length_b 5.07969646
_cell_length_c 11.6762519
_cell_angle_alpha 90.0
_cell_angle_beta 90.8456569
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_... |
DeleteAroundAtomAction | 32aadcb5-69ab-4dbe-930d-85d069ab3913 | mp-1201547 | Delete all atoms within 3.317 angstrom around the atom at index 7 in the cif file. | data_image0
_chemical_formula_structural Ho16B4Cl4O28
_chemical_formula_sum "Ho16 B4 Cl4 O28"
_cell_length_a 8.036807
_cell_length_b 8.596474
_cell_length_c 12.24668418
_cell_angle_alpha 59.98757995999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Ho15B3Cl3O21
_chemical_formula_sum "Ho15 B3 Cl3 O21"
_cell_length_a 8.036807
_cell_length_b 8.596474
_cell_length_c 12.24668418
_cell_angle_alpha 59.98757995999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... |
DeleteAroundAtomAction | cd9a643c-5c9d-481e-9bfa-e2b9ceec7296 | mp-541574 | Delete all atoms within 2.635 angstrom around the atom at index 9 in the cif file. | data_image0
_chemical_formula_structural Ba4Y8Co4O20
_chemical_formula_sum "Ba4 Y8 Co4 O20"
_cell_length_a 5.770025
_cell_length_b 7.158529
_cell_length_c 12.39054
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spac... | data_image0
_chemical_formula_structural Ba4Y7Co4O13
_chemical_formula_sum "Ba4 Y7 Co4 O13"
_cell_length_a 5.770025
_cell_length_b 7.158529
_cell_length_c 12.39054
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spac... |
DeleteAroundAtomAction | fdb2856d-1cf3-4e2b-aa4a-70f6cbbb1dff | mp-780652 | Delete all atoms within 3.324 angstrom around the atom at index 9 in the cif file. | data_image0
_chemical_formula_structural Li8V6P16O58
_chemical_formula_sum "Li8 V6 P16 O58"
_cell_length_a 9.759701
_cell_length_b 9.77116265
_cell_length_c 14.158486300000002
_cell_angle_alpha 90.21434484
_cell_angle_beta 90.02953718999999
_cell_angle_gamma 119.8580864799... | data_image0
_chemical_formula_structural Li6V5P12O52
_chemical_formula_sum "Li6 V5 P12 O52"
_cell_length_a 9.759701
_cell_length_b 9.77116265
_cell_length_c 14.158486300000002
_cell_angle_alpha 90.21434484
_cell_angle_beta 90.02953718999999
_cell_angle_gamma 119.8580864799... |
DeleteAroundAtomAction | 91e405c4-cba6-41f1-b559-7c8f2fa79566 | mp-1209287 | Delete all atoms within 2.786 angstrom around the atom at index 10 in the cif file. | data_image0
_chemical_formula_structural Rb8Sb8Cl8F24
_chemical_formula_sum "Rb8 Sb8 Cl8 F24"
_cell_length_a 8.238391
_cell_length_b 8.530666
_cell_length_c 15.415517
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_s... | data_image0
_chemical_formula_structural Rb8Sb7Cl8F21
_chemical_formula_sum "Rb8 Sb7 Cl8 F21"
_cell_length_a 8.238391
_cell_length_b 8.530666
_cell_length_c 15.415517
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_s... |
DeleteAroundAtomAction | cee2adea-a7fd-4088-9a29-4f60dc1c79f5 | mp-9619 | Delete all atoms within 3.039 angstrom around the atom at index 0 in the cif file. | data_image0
_chemical_formula_structural ThFe4P12
_chemical_formula_sum "Th1 Fe4 P12"
_cell_length_a 6.73149237
_cell_length_b 6.73149087
_cell_length_c 6.73149244
_cell_angle_alpha 109.47121618
_cell_angle_beta 109.47121161
_cell_angle_gamma 109.47122107
_space_group_nam... | data_image0
_chemical_formula_structural Fe4
_chemical_formula_sum "Fe4"
_cell_length_a 6.73149237
_cell_length_b 6.73149087
_cell_length_c 6.73149244
_cell_angle_alpha 109.47121618
_cell_angle_beta 109.47121161
_cell_angle_gamma 109.47122107
_space_group_name_H-M_alt ... |
DeleteAroundAtomAction | db044486-6af0-4634-bb78-cd08e7f446d9 | mp-1120783 | Delete all atoms within 1.953 angstrom around the atom at index 40 in the cif file. | data_image0
_chemical_formula_structural Al30C30
_chemical_formula_sum "Al30 C30"
_cell_length_a 29.969771
_cell_length_b 8.06643
_cell_length_c 8.10666236
_cell_angle_alpha 89.63626339999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural Al30C25
_chemical_formula_sum "Al30 C25"
_cell_length_a 29.969771
_cell_length_b 8.06643
_cell_length_c 8.10666236
_cell_angle_alpha 89.63626339999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... |
DeleteAroundAtomAction | d9cfa023-0a61-4b28-84ad-3e624941ab53 | mp-1212973 | Delete all atoms within 2.6 angstrom around the atom at index 0 in the cif file. | data_image0
_chemical_formula_structural Eu3Ti2O7
_chemical_formula_sum "Eu3 Ti2 O7"
_cell_length_a 10.51063287
_cell_length_b 10.510632869999998
_cell_length_c 10.51063287
_cell_angle_alpha 158.47110958
_cell_angle_beta 158.47110958
_cell_angle_gamma 30.631133560000006
_... | data_image0
_chemical_formula_structural Eu2Ti2O6
_chemical_formula_sum "Eu2 Ti2 O6"
_cell_length_a 10.51063287
_cell_length_b 10.510632869999998
_cell_length_c 10.51063287
_cell_angle_alpha 158.47110958
_cell_angle_beta 158.47110958
_cell_angle_gamma 30.631133560000006
_... |
DeleteAroundAtomAction | 7ac33d61-5e5c-4027-9da3-fe675abefa37 | mp-699431 | Delete all atoms within 3.423 angstrom around the atom at index 6 in the cif file. | data_image0
_chemical_formula_structural Al2H8Se4O16
_chemical_formula_sum "Al2 H8 Se4 O16"
_cell_length_a 6.640272
_cell_length_b 7.408615
_cell_length_c 8.922044719999999
_cell_angle_alpha 54.03288984999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_... | data_image0
_chemical_formula_structural AlH5Se2O7
_chemical_formula_sum "Al1 H5 Se2 O7"
_cell_length_a 6.640272
_cell_length_b 7.408615
_cell_length_c 8.922044719999999
_cell_angle_alpha 54.03288984999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M... |
DeleteAroundAtomAction | 17066602-fe11-428c-a0b5-097c3d4d7395 | mp-758323 | Delete all atoms within 3.517 angstrom around the atom at index 28 in the cif file. | data_image0
_chemical_formula_structural Li2Ti3CoP6O24
_chemical_formula_sum "Li2 Ti3 Co1 P6 O24"
_cell_length_a 8.64736777
_cell_length_b 8.64736777
_cell_length_c 8.6473677
_cell_angle_alpha 59.35002677
_cell_angle_beta 59.35002677
_cell_angle_gamma 59.35002351
_space_g... | data_image0
_chemical_formula_structural LiTi2CoP5O15
_chemical_formula_sum "Li1 Ti2 Co1 P5 O15"
_cell_length_a 8.64736777
_cell_length_b 8.64736777
_cell_length_c 8.6473677
_cell_angle_alpha 59.35002677
_cell_angle_beta 59.35002677
_cell_angle_gamma 59.35002351
_space_gr... |
DeleteAroundAtomAction | 09822fd4-4555-43ac-a1fc-25241a9c561f | mp-1213028 | Delete all atoms within 3.948 angstrom around the atom at index 5 in the cif file. | data_image0
_chemical_formula_structural ErMn6Sn4Ge2
_chemical_formula_sum "Er1 Mn6 Sn4 Ge2"
_cell_length_a 5.3464204
_cell_length_b 5.3464204
_cell_length_c 8.664624
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000494
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Mn3Sn
_chemical_formula_sum "Mn3 Sn1"
_cell_length_a 5.3464204
_cell_length_b 5.3464204
_cell_length_c 8.664624
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000494
_space_group_name_H-M_alt "P 1"
_space_g... |
DeleteAroundAtomAction | bb406fa2-76e6-49cc-b558-843d6a99489f | mp-707519 | Delete all atoms within 2.13 angstrom around the atom at index 22 in the cif file. | data_image0
_chemical_formula_structural Mg16Si8HO32
_chemical_formula_sum "Mg16 Si8 H1 O32"
_cell_length_a 6.102962
_cell_length_b 9.63574753
_cell_length_c 10.39727497
_cell_angle_alpha 90.16461189
_cell_angle_beta 90.64687078
_cell_angle_gamma 90.73067906
_space_group_... | data_image0
_chemical_formula_structural Mg16Si7HO28
_chemical_formula_sum "Mg16 Si7 H1 O28"
_cell_length_a 6.102962
_cell_length_b 9.63574753
_cell_length_c 10.39727497
_cell_angle_alpha 90.16461189
_cell_angle_beta 90.64687078
_cell_angle_gamma 90.73067906
_space_group_... |
DeleteAroundAtomAction | 636e95b7-8ad9-41a0-9253-e8d7e20d04db | mp-1043069 | Delete all atoms within 2.097 angstrom around the atom at index 10 in the cif file. | data_image0
_chemical_formula_structural ZnCr4Cu3O12
_chemical_formula_sum "Zn1 Cr4 Cu3 O12"
_cell_length_a 6.35183077
_cell_length_b 6.365661799999999
_cell_length_c 6.36522988
_cell_angle_alpha 70.48853784
_cell_angle_beta 70.56204123999999
_cell_angle_gamma 109.42098417... | data_image0
_chemical_formula_structural ZnCr2Cu2O11
_chemical_formula_sum "Zn1 Cr2 Cu2 O11"
_cell_length_a 6.35183077
_cell_length_b 6.365661799999999
_cell_length_c 6.36522988
_cell_angle_alpha 70.48853784
_cell_angle_beta 70.56204123999999
_cell_angle_gamma 109.42098417... |
DeleteAroundAtomAction | a9d73e92-4968-4c6f-a6c2-edc08063e790 | mp-1188929 | Delete all atoms within 3.126 angstrom around the atom at index 4 in the cif file. | data_image0
_chemical_formula_structural Ti2Nb6S12
_chemical_formula_sum "Ti2 Nb6 S12"
_cell_length_a 5.81280398
_cell_length_b 5.81266
_cell_length_c 12.53619922
_cell_angle_alpha 89.99977779999999
_cell_angle_beta 89.99973722999998
_cell_angle_gamma 119.98633039
_space_... | data_image0
_chemical_formula_structural Ti2Nb5S6
_chemical_formula_sum "Ti2 Nb5 S6"
_cell_length_a 5.81280398
_cell_length_b 5.81266
_cell_length_c 12.53619922
_cell_angle_alpha 89.99977779999999
_cell_angle_beta 89.99973722999998
_cell_angle_gamma 119.98633039
_space_gr... |
DeleteAroundAtomAction | 326a8415-8401-458e-9041-3e4e9fff0fa1 | mp-29591 | Delete all atoms within 3.127 angstrom around the atom at index 14 in the cif file. | data_image0
_chemical_formula_structural Sb6Cl2O8
_chemical_formula_sum "Sb6 Cl2 O8"
_cell_length_a 5.32733935
_cell_length_b 5.62084491
_cell_length_c 9.74475617
_cell_angle_alpha 94.99436294000002
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Sb3Cl2O4
_chemical_formula_sum "Sb3 Cl2 O4"
_cell_length_a 5.32733935
_cell_length_b 5.62084491
_cell_length_c 9.74475617
_cell_angle_alpha 94.99436294000002
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
DeleteAroundAtomAction | 56cc617b-deec-409f-8b10-6ca62ab022c0 | mp-1223532 | Delete all atoms within 2.504 angstrom around the atom at index 9 in the cif file. | data_image0
_chemical_formula_structural K2La2C2O8
_chemical_formula_sum "K2 La2 C2 O8"
_cell_length_a 3.686097
_cell_length_b 4.760619
_cell_length_c 12.196384
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_g... | data_image0
_chemical_formula_structural K2LaC2O7
_chemical_formula_sum "K2 La1 C2 O7"
_cell_length_a 3.686097
_cell_length_b 4.760619
_cell_length_c 12.196384
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_gr... |
DeleteAroundAtomAction | fa8524e8-5edc-44c1-a6bc-6ccddc32c8ad | mp-764512 | Delete all atoms within 3.892 angstrom around the atom at index 41 in the cif file. | data_image0
_chemical_formula_structural Li5Fe8B8O24
_chemical_formula_sum "Li5 Fe8 B8 O24"
_cell_length_a 5.271667
_cell_length_b 9.04378802
_cell_length_c 11.420092480000001
_cell_angle_alpha 113.07253968
_cell_angle_beta 102.26797147
_cell_angle_gamma 89.8232808
_space... | data_image0
_chemical_formula_structural Li5Fe4B5O11
_chemical_formula_sum "Li5 Fe4 B5 O11"
_cell_length_a 5.271667
_cell_length_b 9.04378802
_cell_length_c 11.420092480000001
_cell_angle_alpha 113.07253968
_cell_angle_beta 102.26797147
_cell_angle_gamma 89.8232808
_space... |
DeleteAroundAtomAction | 2970120c-01ac-43de-a729-ce6347f54b7e | mp-556425 | Delete all atoms within 2.909 angstrom around the atom at index 54 in the cif file. | data_image0
_chemical_formula_structural Sb16F64
_chemical_formula_sum "Sb16 F64"
_cell_length_a 11.93503364
_cell_length_b 9.27435759
_cell_length_c 11.57642252
_cell_angle_alpha 72.80936813
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural Sb15F57
_chemical_formula_sum "Sb15 F57"
_cell_length_a 11.93503364
_cell_length_b 9.27435759
_cell_length_c 11.57642252
_cell_angle_alpha 72.80936813
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... |
DeleteAroundAtomAction | 465b121b-1652-4750-aeb7-6a1b7cd54396 | mp-1376805 | Delete all atoms within 3.724 angstrom around the atom at index 10 in the cif file. | data_image0
_chemical_formula_structural Li3Fe5OF11
_chemical_formula_sum "Li3 Fe5 O1 F11"
_cell_length_a 5.256081
_cell_length_b 5.68770732
_cell_length_c 9.29113358
_cell_angle_alpha 107.28857676
_cell_angle_beta 89.09800657
_cell_angle_gamma 116.84259537
_space_group_n... | data_image0
_chemical_formula_structural LiFe2F5
_chemical_formula_sum "Li1 Fe2 F5"
_cell_length_a 5.256081
_cell_length_b 5.68770732
_cell_length_c 9.29113358
_cell_angle_alpha 107.28857676
_cell_angle_beta 89.09800657
_cell_angle_gamma 116.84259537
_space_group_name_H-M... |
DeleteAroundAtomAction | 5d3c7f7e-c2e6-4c7d-b717-672072ea9ac1 | mp-769018 | Delete all atoms within 3.574 angstrom around the atom at index 53 in the cif file. | data_image0
_chemical_formula_structural Li4Fe8S12O48
_chemical_formula_sum "Li4 Fe8 S12 O48"
_cell_length_a 8.81743
_cell_length_b 8.529569
_cell_length_c 14.69161559
_cell_angle_alpha 55.572251030000004
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Li3Fe7S10O38
_chemical_formula_sum "Li3 Fe7 S10 O38"
_cell_length_a 8.81743
_cell_length_b 8.529569
_cell_length_c 14.69161559
_cell_angle_alpha 55.572251030000004
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... |
DeleteAroundAtomAction | eb037a67-32f9-4c94-a52b-4927822b65ba | mp-1190454 | Delete all atoms within 3.128 angstrom around the atom at index 6 in the cif file. | data_image0
_chemical_formula_structural Ba2Hg2As4O14
_chemical_formula_sum "Ba2 Hg2 As4 O14"
_cell_length_a 5.946996
_cell_length_b 7.62598166
_cell_length_c 7.976073309999999
_cell_angle_alpha 101.61846343
_cell_angle_beta 90.95418678000001
_cell_angle_gamma 96.90320637
... | data_image0
_chemical_formula_structural Ba2Hg2As3O10
_chemical_formula_sum "Ba2 Hg2 As3 O10"
_cell_length_a 5.946996
_cell_length_b 7.62598166
_cell_length_c 7.976073309999999
_cell_angle_alpha 101.61846343
_cell_angle_beta 90.95418678000001
_cell_angle_gamma 96.90320637
... |
DeleteAroundAtomAction | 91ab2759-5f62-45e5-8097-ee90a18d9c1a | mp-26956 | Delete all atoms within 2.541 angstrom around the atom at index 27 in the cif file. | data_image0
_chemical_formula_structural V4P16O48
_chemical_formula_sum "V4 P16 O48"
_cell_length_a 8.410582
_cell_length_b 9.194688
_cell_length_c 12.866543
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_grou... | data_image0
_chemical_formula_structural V3P15O45
_chemical_formula_sum "V3 P15 O45"
_cell_length_a 8.410582
_cell_length_b 9.194688
_cell_length_c 12.866543
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_grou... |
DeleteAroundAtomAction | 38024617-0a44-4600-bcc9-c7d63d1f08e2 | mp-685100 | Delete all atoms within 3.449 angstrom around the atom at index 23 in the cif file. | data_image0
_chemical_formula_structural Cu14I19
_chemical_formula_sum "Cu14 I19"
_cell_length_a 4.22313188
_cell_length_b 4.22313188
_cell_length_c 67.35931072000001
_cell_angle_alpha 88.48193098
_cell_angle_beta 88.48193098
_cell_angle_gamma 60.305504539999994
_space_gr... | data_image0
_chemical_formula_structural Cu12I18
_chemical_formula_sum "Cu12 I18"
_cell_length_a 4.22313188
_cell_length_b 4.22313188
_cell_length_c 67.35931072000001
_cell_angle_alpha 88.48193098
_cell_angle_beta 88.48193098
_cell_angle_gamma 60.305504539999994
_space_gr... |
DeleteAroundAtomAction | e51979a4-d744-4022-9958-3055413a050c | mp-758465 | Delete all atoms within 1.848 angstrom around the atom at index 16 in the cif file. | data_image0
_chemical_formula_structural Li8Fe4Si4O16
_chemical_formula_sum "Li8 Fe4 Si4 O16"
_cell_length_a 5.036854
_cell_length_b 6.341048
_cell_length_c 10.98591249
_cell_angle_alpha 87.58882018000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Li8Fe4Si3O15
_chemical_formula_sum "Li8 Fe4 Si3 O15"
_cell_length_a 5.036854
_cell_length_b 6.341048
_cell_length_c 10.98591249
_cell_angle_alpha 87.58882018000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... |
DeleteAroundAtomAction | 2ee9bd70-b905-4af1-af4e-2dd383b5849c | mp-1236405 | Delete all atoms within 3.326 angstrom around the atom at index 7 in the cif file. | data_image0
_chemical_formula_structural Cs7LiAu5O2
_chemical_formula_sum "Cs7 Li1 Au5 O2"
_cell_length_a 5.97147771
_cell_length_b 10.33391587
_cell_length_c 10.80351527
_cell_angle_alpha 118.57563323999999
_cell_angle_beta 105.98975446
_cell_angle_gamma 89.99598372000001... | data_image0
_chemical_formula_structural Cs5Au3O2
_chemical_formula_sum "Cs5 Au3 O2"
_cell_length_a 5.97147771
_cell_length_b 10.33391587
_cell_length_c 10.80351527
_cell_angle_alpha 118.57563323999999
_cell_angle_beta 105.98975446
_cell_angle_gamma 89.99598372000001
_spa... |
DeleteAroundAtomAction | 28599fd8-c462-4ecd-a8e4-60d10b36ea3d | mp-26069 | Delete all atoms within 3.112 angstrom around the atom at index 77 in the cif file. | data_image0
_chemical_formula_structural Li12Fe8P12O48
_chemical_formula_sum "Li12 Fe8 P12 O48"
_cell_length_a 8.756093
_cell_length_b 8.50317
_cell_length_c 14.72001694
_cell_angle_alpha 55.23547895
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Li10Fe7P11O40
_chemical_formula_sum "Li10 Fe7 P11 O40"
_cell_length_a 8.756093
_cell_length_b 8.50317
_cell_length_c 14.72001694
_cell_angle_alpha 55.23547895
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
DeleteAroundAtomAction | bd64821b-97ec-4148-87bd-76fd98347f94 | mp-1220955 | Delete all atoms within 2.768 angstrom around the atom at index 4 in the cif file. | data_image0
_chemical_formula_structural NaSr2Fe6As6
_chemical_formula_sum "Na1 Sr2 Fe6 As6"
_cell_length_a 5.51590271
_cell_length_b 6.51737211
_cell_length_c 8.85506829
_cell_angle_alpha 114.12208189
_cell_angle_beta 71.85308938
_cell_angle_gamma 90.0
_space_group_name_... | data_image0
_chemical_formula_structural NaSr2Fe4As2
_chemical_formula_sum "Na1 Sr2 Fe4 As2"
_cell_length_a 5.51590271
_cell_length_b 6.51737211
_cell_length_c 8.85506829
_cell_angle_alpha 114.12208189
_cell_angle_beta 71.85308938
_cell_angle_gamma 90.0
_space_group_name_... |
DeleteAroundAtomAction | 51d59b74-f59d-43ce-9063-99734c04237e | mp-1218118 | Delete all atoms within 3.87 angstrom around the atom at index 2 in the cif file. | data_image0
_chemical_formula_structural SrSm3Mn4O12
_chemical_formula_sum "Sr1 Sm3 Mn4 O12"
_cell_length_a 7.759847
_cell_length_b 5.466754
_cell_length_c 5.65238137
_cell_angle_alpha 89.69635752
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural SrSmO2
_chemical_formula_sum "Sr1 Sm1 O2"
_cell_length_a 7.759847
_cell_length_b 5.466754
_cell_length_c 5.65238137
_cell_angle_alpha 89.69635752
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spac... |
DeleteAroundAtomAction | 212bb35f-e8d5-4787-93ee-c3ff7643b859 | mp-1111394 | Delete all atoms within 2.198 angstrom around the atom at index 5 in the cif file. | data_image0
_chemical_formula_structural CsRb2IrF6
_chemical_formula_sum "Cs1 Rb2 Ir1 F6"
_cell_length_a 6.78428369
_cell_length_b 6.78428369
_cell_length_c 6.78428369
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.999999999999... | data_image0
_chemical_formula_structural CsRb2F5
_chemical_formula_sum "Cs1 Rb2 F5"
_cell_length_a 6.78428369
_cell_length_b 6.78428369
_cell_length_c 6.78428369
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
_s... |
DeleteAroundAtomAction | 6c8b135b-ce5a-42bf-9dad-00dbdf12237b | mp-757501 | Delete all atoms within 3.886 angstrom around the atom at index 0 in the cif file. | data_image0
_chemical_formula_structural Ba6Mn6O18
_chemical_formula_sum "Ba6 Mn6 O18"
_cell_length_a 5.69121041
_cell_length_b 5.6912105
_cell_length_c 14.053766149999998
_cell_angle_alpha 90.0000012
_cell_angle_beta 89.9999992
_cell_angle_gamma 120.00005113
_space_group... | data_image0
_chemical_formula_structural Ba5Mn4O9
_chemical_formula_sum "Ba5 Mn4 O9"
_cell_length_a 5.69121041
_cell_length_b 5.6912105
_cell_length_c 14.053766149999998
_cell_angle_alpha 90.0000012
_cell_angle_beta 89.9999992
_cell_angle_gamma 120.00005113
_space_group_n... |
DeleteAroundAtomAction | 5252cc5a-adb8-40eb-b804-cb80067c691b | mp-757811 | Delete all atoms within 2.06 angstrom around the atom at index 47 in the cif file. | data_image0
_chemical_formula_structural Li6V6P8O32
_chemical_formula_sum "Li6 V6 P8 O32"
_cell_length_a 11.287402
_cell_length_b 6.188605
_cell_length_c 8.723597300000002
_cell_angle_alpha 79.1560149
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Li6V5P7O31
_chemical_formula_sum "Li6 V5 P7 O31"
_cell_length_a 11.287402
_cell_length_b 6.188605
_cell_length_c 8.723597300000002
_cell_angle_alpha 79.1560149
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
DeleteAroundAtomAction | 93835632-5b96-4bb0-b4b1-ee48f41f706e | mp-1239124 | Delete all atoms within 3.373 angstrom around the atom at index 8 in the cif file. | data_image0
_chemical_formula_structural Zr2Cr2Cu2S8
_chemical_formula_sum "Zr2 Cr2 Cu2 S8"
_cell_length_a 7.15543779
_cell_length_b 6.081561600000001
_cell_length_c 5.95362075
_cell_angle_alpha 92.72278084
_cell_angle_beta 89.99806957
_cell_angle_gamma 90.00046963
_space... | data_image0
_chemical_formula_structural ZrS4
_chemical_formula_sum "Zr1 S4"
_cell_length_a 7.15543779
_cell_length_b 6.081561600000001
_cell_length_c 5.95362075
_cell_angle_alpha 92.72278084
_cell_angle_beta 89.99806957
_cell_angle_gamma 90.00046963
_space_group_name_H-M... |
DeleteAroundAtomAction | 18d35154-00ab-46a2-9254-5b110f93779a | mp-1224356 | Delete all atoms within 3.415 angstrom around the atom at index 5 in the cif file. | data_image0
_chemical_formula_structural Ge5Te4Se
_chemical_formula_sum "Ge5 Te4 Se1"
_cell_length_a 15.39442332
_cell_length_b 15.394423320000001
_cell_length_c 15.394423320000001
_cell_angle_alpha 164.30776993999996
_cell_angle_beta 164.30776994
_cell_angle_gamma 22.2626... | data_image0
_chemical_formula_structural Ge2Te3Se
_chemical_formula_sum "Ge2 Te3 Se1"
_cell_length_a 15.39442332
_cell_length_b 15.394423320000001
_cell_length_c 15.394423320000001
_cell_angle_alpha 164.30776993999996
_cell_angle_beta 164.30776994
_cell_angle_gamma 22.2626... |
DeleteAroundAtomAction | 9d7e729f-7f20-493e-96a1-005cce549c4a | mp-23043 | Delete all atoms within 3.98 angstrom around the atom at index 13 in the cif file. | data_image0
_chemical_formula_structural Rb2Pb4Br10
_chemical_formula_sum "Rb2 Pb4 Br10"
_cell_length_a 9.54845393
_cell_length_b 9.54845393
_cell_length_c 9.54845393
_cell_angle_alpha 127.32959069999995
_cell_angle_beta 127.32959069999998
_cell_angle_gamma 77.71361011
_s... | data_image0
_chemical_formula_structural PbBr5
_chemical_formula_sum "Pb1 Br5"
_cell_length_a 9.54845393
_cell_length_b 9.54845393
_cell_length_c 9.54845393
_cell_angle_alpha 127.32959069999995
_cell_angle_beta 127.32959069999998
_cell_angle_gamma 77.71361011
_space_group... |
DeleteAroundAtomAction | b7c6a1d6-9771-44da-8953-a799a9761926 | mp-1110869 | Delete all atoms within 3.079 angstrom around the atom at index 4 in the cif file. | data_image0
_chemical_formula_structural K2LiBiCl6
_chemical_formula_sum "K2 Li1 Bi1 Cl6"
_cell_length_a 7.45983371
_cell_length_b 7.45983371
_cell_length_c 7.45983371
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999999999999... | data_image0
_chemical_formula_structural K2Cl5
_chemical_formula_sum "K2 Cl5"
_cell_length_a 7.45983371
_cell_length_b 7.45983371
_cell_length_c 7.45983371
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
_space_gr... |
DeleteAroundAtomAction | b28797cb-e4a5-4d38-9218-1a5b439ad0fd | mp-29276 | Delete all atoms within 3.746 angstrom around the atom at index 18 in the cif file. | data_image0
_chemical_formula_structural Cd4P12O34
_chemical_formula_sum "Cd4 P12 O34"
_cell_length_a 18.14337869
_cell_length_b 5.50104233
_cell_length_c 7.61768762
_cell_angle_alpha 68.48695643
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Cd2P11O23
_chemical_formula_sum "Cd2 P11 O23"
_cell_length_a 18.14337869
_cell_length_b 5.50104233
_cell_length_c 7.61768762
_cell_angle_alpha 68.48695643
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... |
DeleteAroundAtomAction | 40df6849-186d-4d89-b944-4a87500338b8 | mp-504659 | Delete all atoms within 2.86 angstrom around the atom at index 15 in the cif file. | data_image0
_chemical_formula_structural Hf24P12
_chemical_formula_sum "Hf24 P12"
_cell_length_a 3.58496007
_cell_length_b 12.21962583
_cell_length_c 15.00803885
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_... | data_image0
_chemical_formula_structural Hf23P10
_chemical_formula_sum "Hf23 P10"
_cell_length_a 3.58496007
_cell_length_b 12.21962583
_cell_length_c 15.00803885
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_... |
DeleteAroundAtomAction | ca59a8c3-02b1-4326-b7a2-c2905a702fb5 | mp-1221529 | Delete all atoms within 3.805 angstrom around the atom at index 1 in the cif file. | data_image0
_chemical_formula_structural Mn2Zn2S8
_chemical_formula_sum "Mn2 Zn2 S8"
_cell_length_a 5.725862
_cell_length_b 5.715813
_cell_length_c 5.7419629
_cell_angle_alpha 89.56709164
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... | data_image0
_chemical_formula_structural MnZn2S2
_chemical_formula_sum "Mn1 Zn2 S2"
_cell_length_a 5.725862
_cell_length_b 5.715813
_cell_length_c 5.7419629
_cell_angle_alpha 89.56709164
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spac... |
DeleteAroundAtomAction | 5a34462b-96a3-4a80-bdf4-62d289172405 | mp-31273 | Delete all atoms within 3.519 angstrom around the atom at index 25 in the cif file. | data_image0
_chemical_formula_structural La8Cu4S16
_chemical_formula_sum "La8 Cu4 S16"
_cell_length_a 7.57804436
_cell_length_b 7.7499303
_cell_length_c 10.90141497
_cell_angle_alpha 75.46525323
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural La4Cu2S12
_chemical_formula_sum "La4 Cu2 S12"
_cell_length_a 7.57804436
_cell_length_b 7.7499303
_cell_length_c 10.90141497
_cell_angle_alpha 75.46525323
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
DeleteAroundAtomAction | 3584824b-9d1e-42c6-9aab-6d47251d2fb4 | mp-1221103 | Delete all atoms within 3.398 angstrom around the atom at index 0 in the cif file. | data_image0
_chemical_formula_structural NaV2S4O4
_chemical_formula_sum "Na1 V2 S4 O4"
_cell_length_a 3.786281
_cell_length_b 5.825814
_cell_length_c 10.46489165
_cell_angle_alpha 74.1597122
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... | data_image0
_chemical_formula_structural V2S4
_chemical_formula_sum "V2 S4"
_cell_length_a 3.786281
_cell_length_b 5.825814
_cell_length_c 10.46489165
_cell_angle_alpha 74.1597122
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_group... |
DeleteAroundAtomAction | 996a930e-d5d6-4f37-b180-7485d9111d51 | mp-23973 | Delete all atoms within 2.669 angstrom around the atom at index 23 in the cif file. | data_image0
_chemical_formula_structural K4Mn4P4H8O20
_chemical_formula_sum "K4 Mn4 P4 H8 O20"
_cell_length_a 7.57882163
_cell_length_b 7.5755201
_cell_length_c 9.82198348
_cell_angle_alpha 70.94888752
_cell_angle_beta 70.91164623
_cell_angle_gamma 98.87216427999999
_spac... | data_image0
_chemical_formula_structural K4Mn3P4H6O19
_chemical_formula_sum "K4 Mn3 P4 H6 O19"
_cell_length_a 7.57882163
_cell_length_b 7.5755201
_cell_length_c 9.82198348
_cell_angle_alpha 70.94888752
_cell_angle_beta 70.91164623
_cell_angle_gamma 98.87216427999999
_spac... |
DeleteAroundAtomAction | caff34a8-ce44-4fd6-ae85-becf16afe78f | mp-1188654 | Delete all atoms within 2.342 angstrom around the atom at index 13 in the cif file. | data_image0
_chemical_formula_structural W4N4Cl12
_chemical_formula_sum "W4 N4 Cl12"
_cell_length_a 8.12441992
_cell_length_b 8.26346325
_cell_length_c 9.19329053
_cell_angle_alpha 97.92750325
_cell_angle_beta 107.37182531999999
_cell_angle_gamma 110.76745427000002
_space... | data_image0
_chemical_formula_structural W3N4Cl11
_chemical_formula_sum "W3 N4 Cl11"
_cell_length_a 8.12441992
_cell_length_b 8.26346325
_cell_length_c 9.19329053
_cell_angle_alpha 97.92750325
_cell_angle_beta 107.37182531999999
_cell_angle_gamma 110.76745427000002
_space... |
DeleteAroundAtomAction | 84fe39d4-e547-47ba-aae3-d6307fc5d460 | mp-571242 | Delete all atoms within 3.115 angstrom around the atom at index 22 in the cif file. | data_image0
_chemical_formula_structural Rb8Co4Cl16
_chemical_formula_sum "Rb8 Co4 Cl16"
_cell_length_a 7.387085
_cell_length_b 9.38057
_cell_length_c 12.932925
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_g... | data_image0
_chemical_formula_structural Rb8Co3Cl15
_chemical_formula_sum "Rb8 Co3 Cl15"
_cell_length_a 7.387085
_cell_length_b 9.38057
_cell_length_c 12.932925
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_g... |
DeleteAroundAtomAction | e5405ce2-3b8c-405a-903c-8ededf1e2b94 | mp-505638 | Delete all atoms within 3.41 angstrom around the atom at index 25 in the cif file. | data_image0
_chemical_formula_structural Tb12Cr4Se24
_chemical_formula_sum "Tb12 Cr4 Se24"
_cell_length_a 3.93849841
_cell_length_b 13.95269839
_cell_length_c 16.78435688
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural Tb9Cr4Se22
_chemical_formula_sum "Tb9 Cr4 Se22"
_cell_length_a 3.93849841
_cell_length_b 13.95269839
_cell_length_c 16.78435688
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... |
DeleteAroundAtomAction | b9817cdc-74e8-4529-9989-86d7bf584667 | mp-1210133 | Delete all atoms within 2.047 angstrom around the atom at index 39 in the cif file. | data_image0
_chemical_formula_structural Na4Ga4P8O28
_chemical_formula_sum "Na4 Ga4 P8 O28"
_cell_length_a 7.923065
_cell_length_b 7.374088
_cell_length_c 9.57433286
_cell_angle_alpha 67.84418012
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Na4Ga3P7O27
_chemical_formula_sum "Na4 Ga3 P7 O27"
_cell_length_a 7.923065
_cell_length_b 7.374088
_cell_length_c 9.57433286
_cell_angle_alpha 67.84418012
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... |
DeleteAroundAtomAction | 44c9bb36-d70c-4f5c-8002-fd8a1b4b9b5e | mp-2217302 | Delete all atoms within 2.067 angstrom around the atom at index 6 in the cif file. | data_image0
_chemical_formula_structural Ba2MgNi2O6
_chemical_formula_sum "Ba2 Mg1 Ni2 O6"
_cell_length_a 5.769695
_cell_length_b 5.76969214
_cell_length_c 5.579483
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99997936
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Ba2MgO5
_chemical_formula_sum "Ba2 Mg1 O5"
_cell_length_a 5.769695
_cell_length_b 5.76969214
_cell_length_c 5.579483
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99997936
_space_group_name_H-M_alt "P 1"
_sp... |
DeleteAroundAtomAction | 8e522b7a-f99b-47c7-9f46-34f51b3e9365 | mp-2715515 | Delete all atoms within 3.568 angstrom around the atom at index 6 in the cif file. | data_image0
_chemical_formula_structural Na12Sc4In4P12O48
_chemical_formula_sum "Na12 Sc4 In4 P12 O48"
_cell_length_a 15.76486001
_cell_length_b 9.08651758
_cell_length_c 9.08837646
_cell_angle_alpha 90.03804390000002
_cell_angle_beta 125.0957745
_cell_angle_gamma 89.99739... | data_image0
_chemical_formula_structural Na9Sc3In3P9O38
_chemical_formula_sum "Na9 Sc3 In3 P9 O38"
_cell_length_a 15.76486001
_cell_length_b 9.08651758
_cell_length_c 9.08837646
_cell_angle_alpha 90.03804390000002
_cell_angle_beta 125.0957745
_cell_angle_gamma 89.99739623
... |
DeleteAroundAtomAction | 5f52c2c8-126b-476f-bae0-92d5aa4925a9 | mp-1102140 | Delete all atoms within 2.958 angstrom around the atom at index 4 in the cif file. | data_image0
_chemical_formula_structural Nd4Si4Ir4
_chemical_formula_sum "Nd4 Si4 Ir4"
_cell_length_a 6.33666694
_cell_length_b 6.33666694
_cell_length_c 6.33666694
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... | data_image0
_chemical_formula_structural Nd4Si3Ir
_chemical_formula_sum "Nd4 Si3 Ir1"
_cell_length_a 6.33666694
_cell_length_b 6.33666694
_cell_length_c 6.33666694
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spac... |
DeleteAroundAtomAction | 91b9bb9f-224b-4aad-8ab3-cd9eca962ace | mp-1194264 | Delete all atoms within 3.236 angstrom around the atom at index 12 in the cif file. | data_image0
_chemical_formula_structural Sc6Al16Ni7
_chemical_formula_sum "Sc6 Al16 Ni7"
_cell_length_a 8.53691573
_cell_length_b 8.53691573
_cell_length_c 8.53691573
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999... | data_image0
_chemical_formula_structural Sc3Al9Ni3
_chemical_formula_sum "Sc3 Al9 Ni3"
_cell_length_a 8.53691573
_cell_length_b 8.53691573
_cell_length_c 8.53691573
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
... |
DeleteAroundAtomAction | b96b6237-9a7e-46f8-9f83-7663460d9081 | mp-2226919 | Delete all atoms within 3.912 angstrom around the atom at index 12 in the cif file. | data_image0
_chemical_formula_structural MgFe2Mo2Cl2O8
_chemical_formula_sum "Mg1 Fe2 Mo2 Cl2 O8"
_cell_length_a 5.33320689
_cell_length_b 7.18641312
_cell_length_c 7.20677149
_cell_angle_alpha 92.84107388
_cell_angle_beta 89.34579586
_cell_angle_gamma 89.2235641
_space_g... | data_image0
_chemical_formula_structural FeMoO2
_chemical_formula_sum "Fe1 Mo1 O2"
_cell_length_a 5.33320689
_cell_length_b 7.18641312
_cell_length_c 7.20677149
_cell_angle_alpha 92.84107388
_cell_angle_beta 89.34579586
_cell_angle_gamma 89.2235641
_space_group_name_H-M_a... |
DeleteAroundAtomAction | 38c94463-11ec-40a4-a539-a7c5570dd72b | mp-2240560 | Delete all atoms within 3.298 angstrom around the atom at index 5 in the cif file. | data_image0
_chemical_formula_structural MgTiCo2O6
_chemical_formula_sum "Mg1 Ti1 Co2 O6"
_cell_length_a 6.73686587
_cell_length_b 3.0145380700000004
_cell_length_c 5.8034589599999995
_cell_angle_alpha 75.93404697
_cell_angle_beta 104.75206637
_cell_angle_gamma 89.44645409... | data_image0
_chemical_formula_structural MgCo
_chemical_formula_sum "Mg1 Co1"
_cell_length_a 6.73686587
_cell_length_b 3.0145380700000004
_cell_length_c 5.8034589599999995
_cell_angle_alpha 75.93404697
_cell_angle_beta 104.75206637
_cell_angle_gamma 89.44645409
_space_gro... |
DeleteAroundAtomAction | 03f0fb6a-ce22-445c-a8c0-b8c20a902254 | mp-770718 | Delete all atoms within 2.394 angstrom around the atom at index 28 in the cif file. | data_image0
_chemical_formula_structural Mg4I8O24
_chemical_formula_sum "Mg4 I8 O24"
_cell_length_a 5.390324
_cell_length_b 5.70446
_cell_length_c 17.26379
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_group_... | data_image0
_chemical_formula_structural Mg3I7O23
_chemical_formula_sum "Mg3 I7 O23"
_cell_length_a 5.390324
_cell_length_b 5.70446
_cell_length_c 17.26379
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_group_... |
DeleteAroundAtomAction | e7251c5a-6612-4adf-b81b-937ad8a95126 | mp-704184 | Delete all atoms within 2.326 angstrom around the atom at index 35 in the cif file. | data_image0
_chemical_formula_structural Li4Mn4P16O48
_chemical_formula_sum "Li4 Mn4 P16 O48"
_cell_length_a 9.314677
_cell_length_b 9.314677
_cell_length_c 9.332751
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_sp... | data_image0
_chemical_formula_structural Li4Mn4P14O47
_chemical_formula_sum "Li4 Mn4 P14 O47"
_cell_length_a 9.314677
_cell_length_b 9.314677
_cell_length_c 9.332751
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_sp... |
DeleteAroundAtomAction | a6702f37-2e1e-4398-b595-7d34db106f57 | mp-1336779 | Delete all atoms within 2.332 angstrom around the atom at index 33 in the cif file. | data_image0
_chemical_formula_structural Lu20Fe10S40
_chemical_formula_sum "Lu20 Fe10 S40"
_cell_length_a 7.560596
_cell_length_b 7.682109979999999
_cell_length_c 31.038779590000004
_cell_angle_alpha 96.46261670999999
_cell_angle_beta 90.21349288999998
_cell_angle_gamma 11... | data_image0
_chemical_formula_structural Lu20Fe9S39
_chemical_formula_sum "Lu20 Fe9 S39"
_cell_length_a 7.560596
_cell_length_b 7.682109979999999
_cell_length_c 31.038779590000004
_cell_angle_alpha 96.46261670999999
_cell_angle_beta 90.21349288999998
_cell_angle_gamma 119.... |
DeleteAroundAtomAction | 95d667a7-20b6-4f82-a8d2-bda071210464 | mp-1516503 | Delete all atoms within 3.768 angstrom around the atom at index 4 in the cif file. | data_image0
_chemical_formula_structural KHfNbInO6
_chemical_formula_sum "K1 Hf1 Nb1 In1 O6"
_cell_length_a 5.78982912
_cell_length_b 5.78982912
_cell_length_c 5.78982912
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999999999... | data_image0
_chemical_formula_structural O
_chemical_formula_sum "O1"
_cell_length_a 5.78982912
_cell_length_b 5.78982912
_cell_length_c 5.78982912
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
_space_group_name... |
DeleteAroundAtomAction | 41dbb363-887f-464f-a8cb-21960fa16f7d | mp-1195261 | Delete all atoms within 2.49 angstrom around the atom at index 50 in the cif file. | data_image0
_chemical_formula_structural Ag6Sb8F48
_chemical_formula_sum "Ag6 Sb8 F48"
_cell_length_a 10.98733358
_cell_length_b 10.987333580000001
_cell_length_c 10.987333580000001
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063... | data_image0
_chemical_formula_structural Ag6Sb7F47
_chemical_formula_sum "Ag6 Sb7 F47"
_cell_length_a 10.98733358
_cell_length_b 10.987333580000001
_cell_length_c 10.987333580000001
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063... |
DeleteAroundAtomAction | a3efafb9-1431-4f55-b70f-3b0a00f3d09a | mp-1099676 | Delete all atoms within 2.085 angstrom around the atom at index 30 in the cif file. | data_image0
_chemical_formula_structural Ba4Sr4CoCu7O24
_chemical_formula_sum "Ba4 Sr4 Co1 Cu7 O24"
_cell_length_a 7.91666219
_cell_length_b 7.91666219
_cell_length_c 7.92090246
_cell_angle_alpha 89.93417752
_cell_angle_beta 89.93417752
_cell_angle_gamma 90.00985648
_spac... | data_image0
_chemical_formula_structural Ba4Sr4CoCu5O23
_chemical_formula_sum "Ba4 Sr4 Co1 Cu5 O23"
_cell_length_a 7.91666219
_cell_length_b 7.91666219
_cell_length_c 7.92090246
_cell_angle_alpha 89.93417752
_cell_angle_beta 89.93417752
_cell_angle_gamma 90.00985648
_spac... |
DeleteAroundAtomAction | dd87861a-de25-4dc1-be05-63c4506257e1 | mp-779526 | Delete all atoms within 3.672 angstrom around the atom at index 22 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 Fe6O8F4
_chemical_formula_sum "Fe6 O8 F4"
_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
_space_... |
DeleteAroundAtomAction | ed509443-2c30-41fa-bc5d-5660d8ebc183 | mp-770481 | Delete all atoms within 3.963 angstrom around the atom at index 34 in the cif file. | data_image0
_chemical_formula_structural Ta9PO25
_chemical_formula_sum "Ta9 P1 O25"
_cell_length_a 11.21513065
_cell_length_b 11.21512517
_cell_length_c 11.21509722
_cell_angle_alpha 91.67753232
_cell_angle_beta 91.67759269
_cell_angle_gamma 160.29681594
_space_group_name... | data_image0
_chemical_formula_structural Ta7PO16
_chemical_formula_sum "Ta7 P1 O16"
_cell_length_a 11.21513065
_cell_length_b 11.21512517
_cell_length_c 11.21509722
_cell_angle_alpha 91.67753232
_cell_angle_beta 91.67759269
_cell_angle_gamma 160.29681594
_space_group_name... |
DeleteAroundAtomAction | d2b1aae3-ae6c-432c-871a-e4e3403b0464 | mp-505712 | Delete all atoms within 3.198 angstrom around the atom at index 10 in the cif file. | data_image0
_chemical_formula_structural Cs2Ho2Zn2Se6
_chemical_formula_sum "Cs2 Ho2 Zn2 Se6"
_cell_length_a 8.28448384
_cell_length_b 8.28448384
_cell_length_c 10.92566093
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 151.10575998000002
_space_group_name... | data_image0
_chemical_formula_structural Cs2ZnSe5
_chemical_formula_sum "Cs2 Zn1 Se5"
_cell_length_a 8.28448384
_cell_length_b 8.28448384
_cell_length_c 10.92566093
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 151.10575998000002
_space_group_name_H-M_alt... |
DeleteAroundAtomAction | 51c17b83-0ce0-4b9c-83e2-5a3b6ba5e91f | mp-27148 | Delete all atoms within 3.229 angstrom around the atom at index 15 in the cif file. | data_image0
_chemical_formula_structural Be8P16
_chemical_formula_sum "Be8 P16"
_cell_length_a 7.09559749
_cell_length_b 7.09554379
_cell_length_c 7.91790262
_cell_angle_alpha 102.93066382999999
_cell_angle_beta 102.93109404
_cell_angle_gamma 89.99270083
_space_group_name... | data_image0
_chemical_formula_structural Be6P13
_chemical_formula_sum "Be6 P13"
_cell_length_a 7.09559749
_cell_length_b 7.09554379
_cell_length_c 7.91790262
_cell_angle_alpha 102.93066382999999
_cell_angle_beta 102.93109404
_cell_angle_gamma 89.99270083
_space_group_name... |
DeleteAroundAtomAction | 3d3942f9-0797-4c03-8bf6-35bb64763359 | mp-756674 | Delete all atoms within 3.144 angstrom around the atom at index 3 in the cif file. | data_image0
_chemical_formula_structural Li12Mn4O8F4
_chemical_formula_sum "Li12 Mn4 O8 F4"
_cell_length_a 9.02285
_cell_length_b 9.97236
_cell_length_c 3.55013
_cell_angle_alpha 89.99999425
_cell_angle_beta 89.99999365
_cell_angle_gamma 90.00002418999999
_space_group_nam... | data_image0
_chemical_formula_structural Li9Mn3O6F3
_chemical_formula_sum "Li9 Mn3 O6 F3"
_cell_length_a 9.02285
_cell_length_b 9.97236
_cell_length_c 3.55013
_cell_angle_alpha 89.99999425
_cell_angle_beta 89.99999365
_cell_angle_gamma 90.00002418999999
_space_group_name_... |
DeleteAroundAtomAction | fefdc740-ab74-465f-9fff-b41c066f41c3 | mp-766361 | Delete all atoms within 3.278 angstrom around the atom at index 46 in the cif file. | data_image0
_chemical_formula_structural Nb20O50
_chemical_formula_sum "Nb20 O50"
_cell_length_a 11.51573649
_cell_length_b 7.73121522
_cell_length_c 11.39097549
_cell_angle_alpha 99.72313305
_cell_angle_beta 92.01661777
_cell_angle_gamma 80.29335282
_space_group_name_H-M... | data_image0
_chemical_formula_structural Nb17O39
_chemical_formula_sum "Nb17 O39"
_cell_length_a 11.51573649
_cell_length_b 7.73121522
_cell_length_c 11.39097549
_cell_angle_alpha 99.72313305
_cell_angle_beta 92.01661777
_cell_angle_gamma 80.29335282
_space_group_name_H-M... |
DeleteAroundAtomAction | 38187b9b-10fd-4f4a-8f07-8ca1e06a8e3f | mp-1185716 | Delete all atoms within 3.681 angstrom around the atom at index 12 in the cif file. | data_image0
_chemical_formula_structural Mg16Al12V
_chemical_formula_sum "Mg16 Al12 V1"
_cell_length_a 9.00457005
_cell_length_b 9.004570050000002
_cell_length_c 9.00456959
_cell_angle_alpha 108.85703769
_cell_angle_beta 108.85703769
_cell_angle_gamma 108.85703914999999
_... | data_image0
_chemical_formula_structural Mg9Al3V
_chemical_formula_sum "Mg9 Al3 V1"
_cell_length_a 9.00457005
_cell_length_b 9.004570050000002
_cell_length_c 9.00456959
_cell_angle_alpha 108.85703769
_cell_angle_beta 108.85703769
_cell_angle_gamma 108.85703914999999
_spac... |
DeleteAroundAtomAction | ea5b6edd-e67e-41f7-bc86-461f4e25a5cb | mp-1212246 | Delete all atoms within 3.921 angstrom around the atom at index 6 in the cif file. | data_image0
_chemical_formula_structural Ho10In8Pt4
_chemical_formula_sum "Ho10 In8 Pt4"
_cell_length_a 3.60929981
_cell_length_b 8.03796694
_cell_length_c 18.09545145
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... | data_image0
_chemical_formula_structural Ho7In5Pt2
_chemical_formula_sum "Ho7 In5 Pt2"
_cell_length_a 3.60929981
_cell_length_b 8.03796694
_cell_length_c 18.09545145
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_sp... |
DeleteAroundAtomAction | 1ee51162-ceb5-4791-8493-6bd6ab8de731 | mp-1567262 | Delete all atoms within 2.074 angstrom around the atom at index 9 in the cif file. | data_image0
_chemical_formula_structural Li4Mn4Sb2O12
_chemical_formula_sum "Li4 Mn4 Sb2 O12"
_cell_length_a 5.35664327
_cell_length_b 10.29296225
_cell_length_c 5.35654319
_cell_angle_alpha 90.01538012
_cell_angle_beta 117.52396316000001
_cell_angle_gamma 90.0107835499999... | data_image0
_chemical_formula_structural Li4Mn4SbO8
_chemical_formula_sum "Li4 Mn4 Sb1 O8"
_cell_length_a 5.35664327
_cell_length_b 10.29296225
_cell_length_c 5.35654319
_cell_angle_alpha 90.01538012
_cell_angle_beta 117.52396316000001
_cell_angle_gamma 90.01078354999999
... |
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