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 | f771418d-2516-49cb-835e-b8949fd9e656 | mp-1120783 | Delete all atoms within 3.887 angstrom around the atom at index 41 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 Al27C9
_chemical_formula_sum "Al27 C9"
_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"
_s... |
DeleteAroundAtomAction | c5c23737-a8a9-4600-b5a9-cd62830ed859 | mp-1237028 | Delete all atoms within 3.593 angstrom around the atom at index 1 in the cif file. | data_image0
_chemical_formula_structural K4Ga4P8H8
_chemical_formula_sum "K4 Ga4 P8 H8"
_cell_length_a 5.324932
_cell_length_b 7.97831
_cell_length_c 11.901743
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_gr... | data_image0
_chemical_formula_structural K3Ga4P2H6
_chemical_formula_sum "K3 Ga4 P2 H6"
_cell_length_a 5.324932
_cell_length_b 7.97831
_cell_length_c 11.901743
_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 | b0cf4416-4340-4c82-8879-8e3130e07fc6 | mp-759335 | Delete all atoms within 2.456 angstrom around the atom at index 84 in the cif file. | data_image0
_chemical_formula_structural Li10V6P16O58
_chemical_formula_sum "Li10 V6 P16 O58"
_cell_length_a 9.790742
_cell_length_b 9.80038608
_cell_length_c 14.10371707
_cell_angle_alpha 89.55844878
_cell_angle_beta 89.37286967
_cell_angle_gamma 60.21795085
_space_group... | data_image0
_chemical_formula_structural Li9V5P15O57
_chemical_formula_sum "Li9 V5 P15 O57"
_cell_length_a 9.790742
_cell_length_b 9.80038608
_cell_length_c 14.10371707
_cell_angle_alpha 89.55844878
_cell_angle_beta 89.37286967
_cell_angle_gamma 60.21795085
_space_group_n... |
DeleteAroundAtomAction | 3740098f-8a3e-4444-9367-89d27ead9a5c | mp-1210947 | Delete all atoms within 2.016 angstrom around the atom at index 13 in the cif file. | data_image0
_chemical_formula_structural Lu2Ag2W4O16
_chemical_formula_sum "Lu2 Ag2 W4 O16"
_cell_length_a 7.30273406
_cell_length_b 7.302734059999999
_cell_length_c 7.27179264
_cell_angle_alpha 66.0465554
_cell_angle_beta 66.0465554
_cell_angle_gamma 94.31513562
_space_g... | data_image0
_chemical_formula_structural Lu2Ag2W3O15
_chemical_formula_sum "Lu2 Ag2 W3 O15"
_cell_length_a 7.30273406
_cell_length_b 7.302734059999999
_cell_length_c 7.27179264
_cell_angle_alpha 66.0465554
_cell_angle_beta 66.0465554
_cell_angle_gamma 94.31513562
_space_g... |
DeleteAroundAtomAction | 4331c33d-dbdb-4efc-ae26-e0b53f6f766c | mp-1188318 | Delete all atoms within 1.907 angstrom around the atom at index 6 in the cif file. | data_image0
_chemical_formula_structural Si2H16
_chemical_formula_sum "Si2 H16"
_cell_length_a 5.53813922
_cell_length_b 5.55217752
_cell_length_c 7.5952981
_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 SiH15
_chemical_formula_sum "Si1 H15"
_cell_length_a 5.53813922
_cell_length_b 5.55217752
_cell_length_c 7.5952981
_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 | 07b4d5e6-a287-4e98-8158-ca107aea49e9 | mp-1028063 | Delete all atoms within 3.537 angstrom around the atom at index 1 in the cif file. | data_image0
_chemical_formula_structural Mg14MnGa
_chemical_formula_sum "Mg14 Mn1 Ga1"
_cell_length_a 6.24922299
_cell_length_b 6.2492225
_cell_length_c 10.26103103
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000262
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Mg5Mn
_chemical_formula_sum "Mg5 Mn1"
_cell_length_a 6.24922299
_cell_length_b 6.2492225
_cell_length_c 10.26103103
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000262
_space_group_name_H-M_alt "P 1"
_spa... |
DeleteAroundAtomAction | f2c3b776-202f-49d1-b556-dad715684041 | mp-773047 | Delete all atoms within 3.06 angstrom around the atom at index 21 in the cif file. | data_image0
_chemical_formula_structural K3Nb6P3O24
_chemical_formula_sum "K3 Nb6 P3 O24"
_cell_length_a 8.52236369
_cell_length_b 8.52236369
_cell_length_c 8.52236338
_cell_angle_alpha 104.13103007
_cell_angle_beta 104.13103007
_cell_angle_gamma 104.13102101
_space_group... | data_image0
_chemical_formula_structural K2Nb5P2O15
_chemical_formula_sum "K2 Nb5 P2 O15"
_cell_length_a 8.52236369
_cell_length_b 8.52236369
_cell_length_c 8.52236338
_cell_angle_alpha 104.13103007
_cell_angle_beta 104.13103007
_cell_angle_gamma 104.13102101
_space_group... |
DeleteAroundAtomAction | 7d26eb6d-d004-4c2f-a23a-352e0cce2744 | mp-766119 | Delete all atoms within 2.474 angstrom around the atom at index 36 in the cif file. | data_image0
_chemical_formula_structural Li8V8Si8O36
_chemical_formula_sum "Li8 V8 Si8 O36"
_cell_length_a 5.26542
_cell_length_b 8.415311
_cell_length_c 14.175306
_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 Li7V6Si7O35
_chemical_formula_sum "Li7 V6 Si7 O35"
_cell_length_a 5.26542
_cell_length_b 8.415311
_cell_length_c 14.175306
_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 | 4090d72d-faa8-467e-81cc-48d99d42ef53 | mp-14926 | Delete all atoms within 3.313 angstrom around the atom at index 37 in the cif file. | data_image0
_chemical_formula_structural Sr8Sc4F28
_chemical_formula_sum "Sr8 Sc4 F28"
_cell_length_a 12.19979834
_cell_length_b 5.42556548
_cell_length_c 8.2382499
_cell_angle_alpha 89.47662819
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Sr5Sc3F21
_chemical_formula_sum "Sr5 Sc3 F21"
_cell_length_a 12.19979834
_cell_length_b 5.42556548
_cell_length_c 8.2382499
_cell_angle_alpha 89.47662819
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
DeleteAroundAtomAction | 36913322-fbe4-4451-b119-0a4d6e134400 | mp-759828 | Delete all atoms within 3.603 angstrom around the atom at index 32 in the cif file. | data_image0
_chemical_formula_structural Li2Mn2V2P4H4O20
_chemical_formula_sum "Li2 Mn2 V2 P4 H4 O20"
_cell_length_a 5.244304
_cell_length_b 7.351761029999999
_cell_length_c 10.12545201
_cell_angle_alpha 103.31881179
_cell_angle_beta 99.32007668
_cell_angle_gamma 103.92782... | data_image0
_chemical_formula_structural LiMnV2P3H2O10
_chemical_formula_sum "Li1 Mn1 V2 P3 H2 O10"
_cell_length_a 5.244304
_cell_length_b 7.351761029999999
_cell_length_c 10.12545201
_cell_angle_alpha 103.31881179
_cell_angle_beta 99.32007668
_cell_angle_gamma 103.9278274... |
DeleteAroundAtomAction | a4db3d21-c7e9-417b-b42b-1d0924586d07 | mp-2715503 | Delete all atoms within 2.848 angstrom around the atom at index 9 in the cif file. | data_image0
_chemical_formula_structural Na12Sc4Si4Ge4P8O48
_chemical_formula_sum "Na12 Sc4 Si4 Ge4 P8 O48"
_cell_length_a 15.35080669
_cell_length_b 8.9254299
_cell_length_c 8.96443612
_cell_angle_alpha 90.0
_cell_angle_beta 125.57317330999999
_cell_angle_gamma 90.0
_spa... | data_image0
_chemical_formula_structural Na11Sc4Si4Ge4P8O42
_chemical_formula_sum "Na11 Sc4 Si4 Ge4 P8 O42"
_cell_length_a 15.35080669
_cell_length_b 8.9254299
_cell_length_c 8.96443612
_cell_angle_alpha 90.0
_cell_angle_beta 125.57317330999999
_cell_angle_gamma 90.0
_spa... |
DeleteAroundAtomAction | 028cc1db-436a-4589-86db-2f08118a40e9 | mp-1185821 | Delete all atoms within 1.764 angstrom around the atom at index 39 in the cif file. | data_image0
_chemical_formula_structural Mg16Ni8H32
_chemical_formula_sum "Mg16 Ni8 H32"
_cell_length_a 6.36824
_cell_length_b 6.455967
_cell_length_c 13.102415
_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 Mg16Ni7H31
_chemical_formula_sum "Mg16 Ni7 H31"
_cell_length_a 6.36824
_cell_length_b 6.455967
_cell_length_c 13.102415
_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 | 068d56e2-b521-409d-ae67-d3fb6d5da676 | mp-777622 | Delete all atoms within 2.87 angstrom around the atom at index 1 in the cif file. | data_image0
_chemical_formula_structural Li4Fe4F12
_chemical_formula_sum "Li4 Fe4 F12"
_cell_length_a 5.272201
_cell_length_b 5.36776833
_cell_length_c 10.055078419999997
_cell_angle_alpha 95.35879639000001
_cell_angle_beta 100.39341786999998
_cell_angle_gamma 118.91149969... | data_image0
_chemical_formula_structural Li2Fe4F8
_chemical_formula_sum "Li2 Fe4 F8"
_cell_length_a 5.272201
_cell_length_b 5.36776833
_cell_length_c 10.055078419999997
_cell_angle_alpha 95.35879639000001
_cell_angle_beta 100.39341786999998
_cell_angle_gamma 118.91149969
... |
DeleteAroundAtomAction | aae63ab5-1e36-418e-8c77-395e8a487216 | mp-758495 | Delete all atoms within 3.155 angstrom around the atom at index 43 in the cif file. | data_image0
_chemical_formula_structural Li8Co8C8O28
_chemical_formula_sum "Li8 Co8 C8 O28"
_cell_length_a 6.246944
_cell_length_b 8.914788
_cell_length_c 10.60852576
_cell_angle_alpha 67.07172826
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Li8Co5C7O21
_chemical_formula_sum "Li8 Co5 C7 O21"
_cell_length_a 6.246944
_cell_length_b 8.914788
_cell_length_c 10.60852576
_cell_angle_alpha 67.07172826
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... |
DeleteAroundAtomAction | 7a34ea31-ccb2-4539-a251-899d5f2830e9 | mp-1026788 | Delete all atoms within 3.818 angstrom around the atom at index 0 in the cif file. | data_image0
_chemical_formula_structural LaMg14Ga
_chemical_formula_sum "La1 Mg14 Ga1"
_cell_length_a 6.54181914
_cell_length_b 6.54181858
_cell_length_c 10.3752619
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000281
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Mg5Ga
_chemical_formula_sum "Mg5 Ga1"
_cell_length_a 6.54181914
_cell_length_b 6.54181858
_cell_length_c 10.3752619
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000281
_space_group_name_H-M_alt "P 1"
_spa... |
DeleteAroundAtomAction | 1a75e4e4-7d4a-472d-9cfd-d0a827047f2f | mp-1193800 | Delete all atoms within 3.612 angstrom around the atom at index 7 in the cif file. | data_image0
_chemical_formula_structural Hf18Re8Se2
_chemical_formula_sum "Hf18 Re8 Se2"
_cell_length_a 8.65926571
_cell_length_b 8.65926571
_cell_length_c 8.616004
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999779
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Hf10Re4Se
_chemical_formula_sum "Hf10 Re4 Se1"
_cell_length_a 8.65926571
_cell_length_b 8.65926571
_cell_length_c 8.616004
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999779
_space_group_name_H-M_alt "P ... |
DeleteAroundAtomAction | 408c4db3-85da-4788-9286-499cf52ff945 | mp-1227353 | Delete all atoms within 3.748 angstrom around the atom at index 8 in the cif file. | data_image0
_chemical_formula_structural Ce4Ni2Sn4Pt2
_chemical_formula_sum "Ce4 Ni2 Sn4 Pt2"
_cell_length_a 4.577046
_cell_length_b 7.381462
_cell_length_c 7.916191
_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 Sn3Pt
_chemical_formula_sum "Sn3 Pt1"
_cell_length_a 4.577046
_cell_length_b 7.381462
_cell_length_c 7.916191
_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_nu... |
DeleteAroundAtomAction | e24202b8-b62d-438c-b8af-1e5fbb510120 | mp-752785 | Delete all atoms within 3.977 angstrom around the atom at index 7 in the cif file. | data_image0
_chemical_formula_structural Sm4U4O17
_chemical_formula_sum "Sm4 U4 O17"
_cell_length_a 9.36074547
_cell_length_b 9.360745469999998
_cell_length_c 3.835323
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 108.25612350000002
_space_group_name_H-M_... | data_image0
_chemical_formula_structural UO10
_chemical_formula_sum "U1 O10"
_cell_length_a 9.36074547
_cell_length_b 9.360745469999998
_cell_length_c 3.835323
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 108.25612350000002
_space_group_name_H-M_alt "... |
DeleteAroundAtomAction | 6c9d136c-e588-44cb-9ccb-22e0a8450797 | mp-754915 | Delete all atoms within 2.579 angstrom around the atom at index 9 in the cif file. | data_image0
_chemical_formula_structural Na2Fe2O6
_chemical_formula_sum "Na2 Fe2 O6"
_cell_length_a 5.0819733
_cell_length_b 5.081823
_cell_length_c 6.02608011
_cell_angle_alpha 65.06173316
_cell_angle_beta 89.99959398000001
_cell_angle_gamma 59.99876032
_space_group_name... | data_image0
_chemical_formula_structural O4
_chemical_formula_sum "O4"
_cell_length_a 5.0819733
_cell_length_b 5.081823
_cell_length_c 6.02608011
_cell_angle_alpha 65.06173316
_cell_angle_beta 89.99959398000001
_cell_angle_gamma 59.99876032
_space_group_name_H-M_alt "P... |
DeleteAroundAtomAction | 73a3e762-69c8-40f6-a07d-2c6434bfa336 | mp-1218036 | Delete all atoms within 3.395 angstrom around the atom at index 19 in the cif file. | data_image0
_chemical_formula_structural Ta8VC4S8
_chemical_formula_sum "Ta8 V1 C4 S8"
_cell_length_a 9.39611043
_cell_length_b 9.39611043
_cell_length_c 9.39611066
_cell_angle_alpha 41.33561769
_cell_angle_beta 41.33561769
_cell_angle_gamma 41.33562008000001
_space_group... | data_image0
_chemical_formula_structural Ta5C4S4
_chemical_formula_sum "Ta5 C4 S4"
_cell_length_a 9.39611043
_cell_length_b 9.39611043
_cell_length_c 9.39611066
_cell_angle_alpha 41.33561769
_cell_angle_beta 41.33561769
_cell_angle_gamma 41.33562008000001
_space_group_nam... |
DeleteAroundAtomAction | 7fba4f0a-d230-4586-a344-7f3438747962 | mp-686085 | Delete all atoms within 3.763 angstrom around the atom at index 4 in the cif file. | data_image0
_chemical_formula_structural Sc13Cu13O33
_chemical_formula_sum "Sc13 Cu13 O33"
_cell_length_a 5.96404422
_cell_length_b 5.96404422
_cell_length_c 36.25867887
_cell_angle_alpha 87.86782069
_cell_angle_beta 87.86782069
_cell_angle_gamma 33.365060500000006
_space... | data_image0
_chemical_formula_structural Sc10Cu11O27
_chemical_formula_sum "Sc10 Cu11 O27"
_cell_length_a 5.96404422
_cell_length_b 5.96404422
_cell_length_c 36.25867887
_cell_angle_alpha 87.86782069
_cell_angle_beta 87.86782069
_cell_angle_gamma 33.365060500000006
_space... |
DeleteAroundAtomAction | 33b435a7-4c84-435b-acf7-338d9652f63a | mp-14734 | Delete all atoms within 3.086 angstrom around the atom at index 17 in the cif file. | data_image0
_chemical_formula_structural Cs4C4O4F12
_chemical_formula_sum "Cs4 C4 O4 F12"
_cell_length_a 7.69891576
_cell_length_b 5.90645137
_cell_length_c 9.42489971
_cell_angle_alpha 89.27446189
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Cs4C3O3F9
_chemical_formula_sum "Cs4 C3 O3 F9"
_cell_length_a 7.69891576
_cell_length_b 5.90645137
_cell_length_c 9.42489971
_cell_angle_alpha 89.27446189
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... |
DeleteAroundAtomAction | 223ea8fb-8a33-4a2a-aaf2-ab30d94b5231 | mp-755663 | Delete all atoms within 2.931 angstrom around the atom at index 4 in the cif file. | data_image0
_chemical_formula_structural Ta4Pb4O14
_chemical_formula_sum "Ta4 Pb4 O14"
_cell_length_a 13.63450404
_cell_length_b 13.63450404
_cell_length_c 5.8182024
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 163.23215469999997
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural Ta4Pb3O10
_chemical_formula_sum "Ta4 Pb3 O10"
_cell_length_a 13.63450404
_cell_length_b 13.63450404
_cell_length_c 5.8182024
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 163.23215469999997
_space_group_name_H-M_al... |
DeleteAroundAtomAction | 21442c14-b68f-42b4-b8d7-f23f5e0ebe69 | mp-21683 | Delete all atoms within 3.055 angstrom around the atom at index 4 in the cif file. | data_image0
_chemical_formula_structural In2Ni21P6
_chemical_formula_sum "In2 Ni21 P6"
_cell_length_a 7.77586642
_cell_length_b 7.77599951
_cell_length_c 7.77597427
_cell_angle_alpha 60.00484206
_cell_angle_beta 60.00602950999999
_cell_angle_gamma 60.00580611000001
_space... | data_image0
_chemical_formula_structural Ni10P4
_chemical_formula_sum "Ni10 P4"
_cell_length_a 7.77586642
_cell_length_b 7.77599951
_cell_length_c 7.77597427
_cell_angle_alpha 60.00484206
_cell_angle_beta 60.00602950999999
_cell_angle_gamma 60.00580611000001
_space_group_... |
DeleteAroundAtomAction | c2659256-5468-43f7-985e-6ccb820ebc7a | mp-1196179 | Delete all atoms within 3.176 angstrom around the atom at index 54 in the cif file. | data_image0
_chemical_formula_structural Tm16Cr8S32
_chemical_formula_sum "Tm16 Cr8 S32"
_cell_length_a 7.410917
_cell_length_b 12.50779
_cell_length_c 12.383987
_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 Tm13Cr6S31
_chemical_formula_sum "Tm13 Cr6 S31"
_cell_length_a 7.410917
_cell_length_b 12.50779
_cell_length_c 12.383987
_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 | 2193da16-2c71-41aa-b3ca-a3cb1e017cb4 | mp-1221008 | Delete all atoms within 2.814 angstrom around the atom at index 11 in the cif file. | data_image0
_chemical_formula_structural Nd9Ni24Sn49
_chemical_formula_sum "Nd9 Ni24 Sn49"
_cell_length_a 10.40052865
_cell_length_b 10.40052865
_cell_length_c 17.11282481
_cell_angle_alpha 89.88282626
_cell_angle_beta 89.88282626
_cell_angle_gamma 70.72407511
_space_grou... | data_image0
_chemical_formula_structural Nd9Ni23Sn43
_chemical_formula_sum "Nd9 Ni23 Sn43"
_cell_length_a 10.40052865
_cell_length_b 10.40052865
_cell_length_c 17.11282481
_cell_angle_alpha 89.88282626
_cell_angle_beta 89.88282626
_cell_angle_gamma 70.72407511
_space_grou... |
DeleteAroundAtomAction | 9720e636-8fe5-4753-9179-999f143871b5 | mp-1182799 | Delete all atoms within 2.983 angstrom around the atom at index 12 in the cif file. | data_image0
_chemical_formula_structural Ca4Si4H8O16
_chemical_formula_sum "Ca4 Si4 H8 O16"
_cell_length_a 11.8266484
_cell_length_b 9.86852666
_cell_length_c 15.19174507
_cell_angle_alpha 51.09540739000001
_cell_angle_beta 40.49250019
_cell_angle_gamma 88.41209242000001
... | data_image0
_chemical_formula_structural Ca4Si3H6O14
_chemical_formula_sum "Ca4 Si3 H6 O14"
_cell_length_a 11.8266484
_cell_length_b 9.86852666
_cell_length_c 15.19174507
_cell_angle_alpha 51.09540739000001
_cell_angle_beta 40.49250019
_cell_angle_gamma 88.41209242000001
... |
DeleteAroundAtomAction | 98186923-8291-4e92-a7b5-4a1532e9772a | mp-1027815 | Delete all atoms within 3.001 angstrom around the atom at index 8 in the cif file. | data_image0
_chemical_formula_structural KMg14Co
_chemical_formula_sum "K1 Mg14 Co1"
_cell_length_a 6.33349415
_cell_length_b 6.33349365
_cell_length_c 10.48663987
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000266
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural KMg11
_chemical_formula_sum "K1 Mg11"
_cell_length_a 6.33349415
_cell_length_b 6.33349365
_cell_length_c 10.48663987
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000266
_space_group_name_H-M_alt "P 1"
_sp... |
DeleteAroundAtomAction | 378efb33-24e1-4e62-b0c4-74a71686dae4 | mp-8762 | Delete all atoms within 2.864 angstrom around the atom at index 15 in the cif file. | data_image0
_chemical_formula_structural Er8S8O4
_chemical_formula_sum "Er8 S8 O4"
_cell_length_a 6.79738802
_cell_length_b 6.78756073
_cell_length_c 8.18333571
_cell_angle_alpha 80.45408257
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... | data_image0
_chemical_formula_structural Er5S7O4
_chemical_formula_sum "Er5 S7 O4"
_cell_length_a 6.79738802
_cell_length_b 6.78756073
_cell_length_c 8.18333571
_cell_angle_alpha 80.45408257
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
DeleteAroundAtomAction | 6acd5372-92ef-4071-8edb-c59ee6a6be54 | mp-1188640 | Delete all atoms within 3.927 angstrom around the atom at index 4 in the cif file. | data_image0
_chemical_formula_structural Zr10Sn6As2
_chemical_formula_sum "Zr10 Sn6 As2"
_cell_length_a 8.66441951
_cell_length_b 8.66441951
_cell_length_c 5.95940015
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000950999998
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural ZrSn2
_chemical_formula_sum "Zr1 Sn2"
_cell_length_a 8.66441951
_cell_length_b 8.66441951
_cell_length_c 5.95940015
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000950999998
_space_group_name_H-M_alt "P 1... |
DeleteAroundAtomAction | 99b2e057-ea4c-43fe-8fac-77483abf53de | mp-887412 | Delete all atoms within 2.39 angstrom around the atom at index 45 in the cif file. | data_image0
_chemical_formula_structural Li12Mn2V6P12O48
_chemical_formula_sum "Li12 Mn2 V6 P12 O48"
_cell_length_a 8.7929821
_cell_length_b 8.7929821
_cell_length_c 14.49430022
_cell_angle_alpha 73.87592186
_cell_angle_beta 73.87592186
_cell_angle_gamma 60.64011866
_spac... | data_image0
_chemical_formula_structural Li12Mn2V5P11O47
_chemical_formula_sum "Li12 Mn2 V5 P11 O47"
_cell_length_a 8.7929821
_cell_length_b 8.7929821
_cell_length_c 14.49430022
_cell_angle_alpha 73.87592186
_cell_angle_beta 73.87592186
_cell_angle_gamma 60.64011866
_spac... |
DeleteAroundAtomAction | 8f29e3ec-f6f6-41de-b18a-cf6353314212 | mp-1199467 | Delete all atoms within 3.535 angstrom around the atom at index 5 in the cif file. | data_image0
_chemical_formula_structural Lu20Ge16
_chemical_formula_sum "Lu20 Ge16"
_cell_length_a 7.36423847
_cell_length_b 7.46203221
_cell_length_c 14.16995855
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space... | data_image0
_chemical_formula_structural Lu16Ge10
_chemical_formula_sum "Lu16 Ge10"
_cell_length_a 7.36423847
_cell_length_b 7.46203221
_cell_length_c 14.16995855
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space... |
DeleteAroundAtomAction | e506cbf0-09c8-416b-b78d-7cf0be614fa2 | mp-973966 | Delete all atoms within 2.533 angstrom around the atom at index 15 in the cif file. | data_image0
_chemical_formula_structural LiInI4O12
_chemical_formula_sum "Li1 In1 I4 O12"
_cell_length_a 4.978049
_cell_length_b 6.59234209
_cell_length_c 8.69573854
_cell_angle_alpha 84.86997898999999
_cell_angle_beta 89.19318945
_cell_angle_gamma 89.32749808
_space_grou... | data_image0
_chemical_formula_structural LiI3O11
_chemical_formula_sum "Li1 I3 O11"
_cell_length_a 4.978049
_cell_length_b 6.59234209
_cell_length_c 8.69573854
_cell_angle_alpha 84.86997898999999
_cell_angle_beta 89.19318945
_cell_angle_gamma 89.32749808
_space_group_name... |
DeleteAroundAtomAction | bdbe5a86-7090-4435-8573-5416cab39474 | mp-1032871 | Delete all atoms within 3.281 angstrom around the atom at index 5 in the cif file. | data_image0
_chemical_formula_structural HfMg6AlO8
_chemical_formula_sum "Hf1 Mg6 Al1 O8"
_cell_length_a 8.96578721
_cell_length_b 4.34838229
_cell_length_c 4.34838229
_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 Mg2O4
_chemical_formula_sum "Mg2 O4"
_cell_length_a 8.96578721
_cell_length_b 4.34838229
_cell_length_c 4.34838229
_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 | adfa2a88-f9e0-4860-8733-990a2a8bca8b | mp-2215839 | Delete all atoms within 2.119 angstrom around the atom at index 6 in the cif file. | data_image0
_chemical_formula_structural Sr2MgZrCrO6
_chemical_formula_sum "Sr2 Mg1 Zr1 Cr1 O6"
_cell_length_a 6.85052586
_cell_length_b 5.67316694
_cell_length_c 5.44648374
_cell_angle_alpha 90.22336113
_cell_angle_beta 118.44826585999999
_cell_angle_gamma 114.57133378999... | data_image0
_chemical_formula_structural Sr2ZrO5
_chemical_formula_sum "Sr2 Zr1 O5"
_cell_length_a 6.85052586
_cell_length_b 5.67316694
_cell_length_c 5.44648374
_cell_angle_alpha 90.22336113
_cell_angle_beta 118.44826585999999
_cell_angle_gamma 114.57133378999998
_space_... |
DeleteAroundAtomAction | 4c3fe95b-79fa-478e-a77a-fe89b578b630 | mp-763659 | Delete all atoms within 3.9 angstrom around the atom at index 11 in the cif file. | data_image0
_chemical_formula_structural Li3V2Fe2O8
_chemical_formula_sum "Li3 V2 Fe2 O8"
_cell_length_a 5.944184
_cell_length_b 5.94678724
_cell_length_c 5.96933376
_cell_angle_alpha 60.42632462
_cell_angle_beta 60.49654353999999
_cell_angle_gamma 60.51743515999999
_spac... | data_image0
_chemical_formula_structural O
_chemical_formula_sum "O1"
_cell_length_a 5.944184
_cell_length_b 5.94678724
_cell_length_c 5.96933376
_cell_angle_alpha 60.42632462
_cell_angle_beta 60.49654353999999
_cell_angle_gamma 60.51743515999999
_space_group_name_H-M_alt... |
DeleteAroundAtomAction | 40b77018-39f5-4eb7-8423-d73c88040dc5 | mp-1227077 | Delete all atoms within 3.272 angstrom around the atom at index 15 in the cif file. | data_image0
_chemical_formula_structural Cd43Pd8
_chemical_formula_sum "Cd43 Pd8"
_cell_length_a 10.05017333
_cell_length_b 10.050173330000002
_cell_length_c 10.05017369
_cell_angle_alpha 90.10168299999998
_cell_angle_beta 90.10168299999998
_cell_angle_gamma 90.10168413000... | data_image0
_chemical_formula_structural Cd34Pd6
_chemical_formula_sum "Cd34 Pd6"
_cell_length_a 10.05017333
_cell_length_b 10.050173330000002
_cell_length_c 10.05017369
_cell_angle_alpha 90.10168299999998
_cell_angle_beta 90.10168299999998
_cell_angle_gamma 90.10168413000... |
DeleteAroundAtomAction | b6f9bbfa-9d4f-4014-816e-30955ee79695 | mp-1229311 | Delete all atoms within 3.222 angstrom around the atom at index 65 in the cif file. | data_image0
_chemical_formula_structural Ag5Sb23Pb12S48
_chemical_formula_sum "Ag5 Sb23 Pb12 S48"
_cell_length_a 8.695419
_cell_length_b 13.29602981
_cell_length_c 19.62485344
_cell_angle_alpha 90.29708353
_cell_angle_beta 90.02236377
_cell_angle_gamma 90.18961982
_space_... | data_image0
_chemical_formula_structural Ag5Sb21Pb10S47
_chemical_formula_sum "Ag5 Sb21 Pb10 S47"
_cell_length_a 8.695419
_cell_length_b 13.29602981
_cell_length_c 19.62485344
_cell_angle_alpha 90.29708353
_cell_angle_beta 90.02236377
_cell_angle_gamma 90.18961982
_space_... |
DeleteAroundAtomAction | 11f58e0d-c686-4026-ac5d-8c3f35a4393d | mp-1173734 | Delete all atoms within 3.478 angstrom around the atom at index 34 in the cif file. | data_image0
_chemical_formula_structural NaCa3Fe4Si8O24
_chemical_formula_sum "Na1 Ca3 Fe4 Si8 O24"
_cell_length_a 7.70031409
_cell_length_b 7.700314089999999
_cell_length_c 9.98506993
_cell_angle_alpha 62.79150036
_cell_angle_beta 62.79150036
_cell_angle_gamma 72.03905514... | data_image0
_chemical_formula_structural Ca3Fe3Si4O13
_chemical_formula_sum "Ca3 Fe3 Si4 O13"
_cell_length_a 7.70031409
_cell_length_b 7.700314089999999
_cell_length_c 9.98506993
_cell_angle_alpha 62.79150036
_cell_angle_beta 62.79150036
_cell_angle_gamma 72.03905514
_spa... |
DeleteAroundAtomAction | d370aa5d-3554-4b93-9312-df9fa0aa92f6 | mp-1182238 | Delete all atoms within 2.858 angstrom around the atom at index 10 in the cif file. | data_image0
_chemical_formula_structural Ba8O16
_chemical_formula_sum "Ba8 O16"
_cell_length_a 5.825256
_cell_length_b 7.683604
_cell_length_c 11.12830026
_cell_angle_alpha 90.0
_cell_angle_beta 121.17026293
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space... | data_image0
_chemical_formula_structural Ba5O13
_chemical_formula_sum "Ba5 O13"
_cell_length_a 5.825256
_cell_length_b 7.683604
_cell_length_c 11.12830026
_cell_angle_alpha 90.0
_cell_angle_beta 121.17026293
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space... |
DeleteAroundAtomAction | 23b756a8-2e41-4993-a95b-d82b8665e922 | mp-15539 | Delete all atoms within 3.169 angstrom around the atom at index 55 in the cif file. | data_image0
_chemical_formula_structural Ca4Mn8Be12Si12O48
_chemical_formula_sum "Ca4 Mn8 Be12 Si12 O48"
_cell_length_a 7.691233
_cell_length_b 8.175307
_cell_length_c 16.38163346
_cell_angle_alpha 60.03639652
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name... | data_image0
_chemical_formula_structural Ca3Mn7Be11Si11O40
_chemical_formula_sum "Ca3 Mn7 Be11 Si11 O40"
_cell_length_a 7.691233
_cell_length_b 8.175307
_cell_length_c 16.38163346
_cell_angle_alpha 60.03639652
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name... |
DeleteAroundAtomAction | c5aa6504-8d55-426d-a33d-e4993ea00e1f | mp-5996 | Delete all atoms within 1.966 angstrom around the atom at index 30 in the cif file. | data_image0
_chemical_formula_structural Na8Ti8Si8O36
_chemical_formula_sum "Na8 Ti8 Si8 O36"
_cell_length_a 5.287007
_cell_length_b 8.797689
_cell_length_c 14.734708
_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 Na8Ti6Si8O35
_chemical_formula_sum "Na8 Ti6 Si8 O35"
_cell_length_a 5.287007
_cell_length_b 8.797689
_cell_length_c 14.734708
_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 | f9dd7626-5cda-43d1-a747-712c8e095332 | mp-510 | Delete all atoms within 3.115 angstrom around the atom at index 3 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 Ta14O26
_chemical_formula_sum "Ta14 O26"
_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_... |
DeleteAroundAtomAction | 3a8504f7-171c-4c74-8b90-afaeaca683fb | mp-1200475 | Delete all atoms within 3.161 angstrom around the atom at index 30 in the cif file. | data_image0
_chemical_formula_structural U2B16O34
_chemical_formula_sum "U2 B16 O34"
_cell_length_a 8.97706869
_cell_length_b 8.97706869
_cell_length_c 11.125183349999999
_cell_angle_alpha 89.98961474
_cell_angle_beta 89.98961474
_cell_angle_gamma 136.85945971
_space_grou... | data_image0
_chemical_formula_structural UB12O24
_chemical_formula_sum "U1 B12 O24"
_cell_length_a 8.97706869
_cell_length_b 8.97706869
_cell_length_c 11.125183349999999
_cell_angle_alpha 89.98961474
_cell_angle_beta 89.98961474
_cell_angle_gamma 136.85945971
_space_group... |
DeleteAroundAtomAction | 70417c74-779d-4cf1-8937-6a2dea2e36e6 | mp-1103787 | Delete all atoms within 3.709 angstrom around the atom at index 9 in the cif file. | data_image0
_chemical_formula_structural Si7Ni4Au2
_chemical_formula_sum "Si7 Ni4 Au2"
_cell_length_a 6.65277734
_cell_length_b 6.65277734
_cell_length_c 7.943236350000001
_cell_angle_alpha 70.83827778000001
_cell_angle_beta 70.83827778000001
_cell_angle_gamma 32.802062200... | data_image0
_chemical_formula_structural Si3Ni2
_chemical_formula_sum "Si3 Ni2"
_cell_length_a 6.65277734
_cell_length_b 6.65277734
_cell_length_c 7.943236350000001
_cell_angle_alpha 70.83827778000001
_cell_angle_beta 70.83827778000001
_cell_angle_gamma 32.80206220000001
... |
DeleteAroundAtomAction | ad1cb99a-d255-4318-87dc-4be3eb95e679 | mp-1110608 | Delete all atoms within 2.805 angstrom around the atom at index 3 in the cif file. | data_image0
_chemical_formula_structural Rb2InAgF6
_chemical_formula_sum "Rb2 In1 Ag1 F6"
_cell_length_a 6.4396356
_cell_length_b 6.4396356
_cell_length_c 6.4396356
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
... | data_image0
_chemical_formula_structural Rb2In
_chemical_formula_sum "Rb2 In1"
_cell_length_a 6.4396356
_cell_length_b 6.4396356
_cell_length_c 6.4396356
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
_space_grou... |
DeleteAroundAtomAction | f1e328b0-86dc-4ee5-998b-187f4c20506c | mp-1026829 | Delete all atoms within 3.803 angstrom around the atom at index 14 in the cif file. | data_image0
_chemical_formula_structural KMg14Cd
_chemical_formula_sum "K1 Mg14 Cd1"
_cell_length_a 6.52194849
_cell_length_b 6.51423648
_cell_length_c 10.5695114
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.96089757
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural KMg5
_chemical_formula_sum "K1 Mg5"
_cell_length_a 6.52194849
_cell_length_b 6.51423648
_cell_length_c 10.5695114
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.96089757
_space_group_name_H-M_alt "P 1"
_space... |
DeleteAroundAtomAction | 7685e0b2-1162-448e-8b55-1201191331ca | mp-21787 | Delete all atoms within 3.607 angstrom around the atom at index 43 in the cif file. | data_image0
_chemical_formula_structural O36Eu16Au8
_chemical_formula_sum "O36 Eu16 Au8"
_cell_length_a 6.18138765
_cell_length_b 11.94098349
_cell_length_c 11.99598676
_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 O29Eu15Au5
_chemical_formula_sum "O29 Eu15 Au5"
_cell_length_a 6.18138765
_cell_length_b 11.94098349
_cell_length_c 11.99598676
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... |
DeleteAroundAtomAction | 52f0f65c-bc2f-4598-9051-0bd952a53f6b | mp-1233843 | Delete all atoms within 3.114 angstrom around the atom at index 1 in the cif file. | data_image0
_chemical_formula_structural MgCo6O2F10
_chemical_formula_sum "Mg1 Co6 O2 F10"
_cell_length_a 5.20676922
_cell_length_b 5.20369253
_cell_length_c 9.241906809999998
_cell_angle_alpha 89.57896289
_cell_angle_beta 90.10114559
_cell_angle_gamma 99.40809487
_space_... | data_image0
_chemical_formula_structural Co4OF5
_chemical_formula_sum "Co4 O1 F5"
_cell_length_a 5.20676922
_cell_length_b 5.20369253
_cell_length_c 9.241906809999998
_cell_angle_alpha 89.57896289
_cell_angle_beta 90.10114559
_cell_angle_gamma 99.40809487
_space_group_nam... |
DeleteAroundAtomAction | 850fbb4f-9992-40d6-a651-06d7f4079646 | mp-1192109 | Delete all atoms within 2.573 angstrom around the atom at index 17 in the cif file. | data_image0
_chemical_formula_structural K2H4PdN4O10
_chemical_formula_sum "K2 H4 Pd1 N4 O10"
_cell_length_a 6.96838542
_cell_length_b 7.225418650000001
_cell_length_c 7.49708956
_cell_angle_alpha 116.74948873
_cell_angle_beta 104.81718331
_cell_angle_gamma 97.848627799999... | data_image0
_chemical_formula_structural K2H4PdN3O8
_chemical_formula_sum "K2 H4 Pd1 N3 O8"
_cell_length_a 6.96838542
_cell_length_b 7.225418650000001
_cell_length_c 7.49708956
_cell_angle_alpha 116.74948873
_cell_angle_beta 104.81718331
_cell_angle_gamma 97.84862779999999... |
DeleteAroundAtomAction | 359f7e7e-47ee-4cdf-83f0-de9f401f3c87 | mp-18245 | Delete all atoms within 3.765 angstrom around the atom at index 24 in the cif file. | data_image0
_chemical_formula_structural Na4Co4P4O16
_chemical_formula_sum "Na4 Co4 P4 O16"
_cell_length_a 5.079759
_cell_length_b 6.870334
_cell_length_c 8.975021
_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 NaCoPO6
_chemical_formula_sum "Na1 Co1 P1 O6"
_cell_length_a 5.079759
_cell_length_b 6.870334
_cell_length_c 8.975021
_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... |
DeleteAroundAtomAction | e0d00dc5-f1e2-43c2-bc18-73e819a07a7e | mp-1191086 | Delete all atoms within 3.009 angstrom around the atom at index 12 in the cif file. | data_image0
_chemical_formula_structural Nd2Mn3Cu9P7
_chemical_formula_sum "Nd2 Mn3 Cu9 P7"
_cell_length_a 9.52202874
_cell_length_b 9.522028740000001
_cell_length_c 3.826614
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000515
_space_group_name_H-M... | data_image0
_chemical_formula_structural Nd2Mn2Cu6P4
_chemical_formula_sum "Nd2 Mn2 Cu6 P4"
_cell_length_a 9.52202874
_cell_length_b 9.522028740000001
_cell_length_c 3.826614
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000515
_space_group_name_H-M... |
DeleteAroundAtomAction | c2de5193-34cf-407a-9b3d-949c91c28976 | mp-758497 | Delete all atoms within 1.929 angstrom around the atom at index 18 in the cif file. | data_image0
_chemical_formula_structural Li4Cu4P4O16
_chemical_formula_sum "Li4 Cu4 P4 O16"
_cell_length_a 5.773734
_cell_length_b 6.11628915
_cell_length_c 9.23422936
_cell_angle_alpha 76.39650355
_cell_angle_beta 79.36723015
_cell_angle_gamma 78.10091352
_space_group_na... | data_image0
_chemical_formula_structural Li4Cu3P3O15
_chemical_formula_sum "Li4 Cu3 P3 O15"
_cell_length_a 5.773734
_cell_length_b 6.11628915
_cell_length_c 9.23422936
_cell_angle_alpha 76.39650355
_cell_angle_beta 79.36723015
_cell_angle_gamma 78.10091352
_space_group_na... |
DeleteAroundAtomAction | 6dfa1a6d-3e5b-4e08-a5a8-161716187dd6 | mp-1102486 | Delete all atoms within 3.509 angstrom around the atom at index 0 in the cif file. | data_image0
_chemical_formula_structural Sm2P2O8
_chemical_formula_sum "Sm2 P2 O8"
_cell_length_a 5.83727174
_cell_length_b 5.83727174
_cell_length_c 5.83727174
_cell_angle_alpha 106.06663024999999
_cell_angle_beta 106.06663024999999
_cell_angle_gamma 116.51870327
_space_... | data_image0
_chemical_formula_structural SmP
_chemical_formula_sum "Sm1 P1"
_cell_length_a 5.83727174
_cell_length_b 5.83727174
_cell_length_c 5.83727174
_cell_angle_alpha 106.06663024999999
_cell_angle_beta 106.06663024999999
_cell_angle_gamma 116.51870327
_space_group_n... |
DeleteAroundAtomAction | 297a1aba-6fe2-483b-a06e-9a8d26ed3b99 | mp-676501 | Delete all atoms within 2.009 angstrom around the atom at index 33 in the cif file. | data_image0
_chemical_formula_structural K6Sn4S6Br2O24
_chemical_formula_sum "K6 Sn4 S6 Br2 O24"
_cell_length_a 7.606706
_cell_length_b 10.424619
_cell_length_c 10.46138684
_cell_angle_alpha 60.722412909999996
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name... | data_image0
_chemical_formula_structural K6Sn4S5Br2O23
_chemical_formula_sum "K6 Sn4 S5 Br2 O23"
_cell_length_a 7.606706
_cell_length_b 10.424619
_cell_length_c 10.46138684
_cell_angle_alpha 60.722412909999996
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name... |
DeleteAroundAtomAction | 38e9e2ea-1592-4c2c-9333-3e25798ba61f | mp-850998 | Delete all atoms within 3.389 angstrom around the atom at index 7 in the cif file. | data_image0
_chemical_formula_structural Li4Mn6B6O18
_chemical_formula_sum "Li4 Mn6 B6 O18"
_cell_length_a 5.299488
_cell_length_b 5.84207002
_cell_length_c 13.32200713
_cell_angle_alpha 96.96851358
_cell_angle_beta 91.03624852000002
_cell_angle_gamma 113.55685340999999
_... | data_image0
_chemical_formula_structural LiMn4B3O11
_chemical_formula_sum "Li1 Mn4 B3 O11"
_cell_length_a 5.299488
_cell_length_b 5.84207002
_cell_length_c 13.32200713
_cell_angle_alpha 96.96851358
_cell_angle_beta 91.03624852000002
_cell_angle_gamma 113.55685340999999
_s... |
DeleteAroundAtomAction | d512670e-2ade-4051-a6d2-97b56cd60d9d | mp-531661 | Delete all atoms within 2.923 angstrom around the atom at index 54 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 Nd8Ti10O32
_chemical_formula_sum "Nd8 Ti10 O32"
_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_gr... |
DeleteAroundAtomAction | e21742a8-b30d-4656-9753-bf5702af148d | mp-777349 | Delete all atoms within 1.984 angstrom around the atom at index 13 in the cif file. | data_image0
_chemical_formula_structural Mn6O6F6
_chemical_formula_sum "Mn6 O6 F6"
_cell_length_a 4.670662
_cell_length_b 5.695413829999999
_cell_length_c 7.77939247
_cell_angle_alpha 85.41131093
_cell_angle_beta 88.01678689999999
_cell_angle_gamma 87.13600728
_space_grou... | data_image0
_chemical_formula_structural Mn5O6F5
_chemical_formula_sum "Mn5 O6 F5"
_cell_length_a 4.670662
_cell_length_b 5.695413829999999
_cell_length_c 7.77939247
_cell_angle_alpha 85.41131093
_cell_angle_beta 88.01678689999999
_cell_angle_gamma 87.13600728
_space_grou... |
DeleteAroundAtomAction | 6b98ac9b-6334-4cdc-bce1-caa21e26821b | mp-25275 | Delete all atoms within 2.621 angstrom around the atom at index 2 in the cif file. | data_image0
_chemical_formula_structural Mn4O8
_chemical_formula_sum "Mn4 O8"
_cell_length_a 5.68527742
_cell_length_b 5.68458916
_cell_length_c 5.68551593
_cell_angle_alpha 60.002615719999994
_cell_angle_beta 59.99061243
_cell_angle_gamma 60.00680398
_space_group_name_H-... | data_image0
_chemical_formula_structural Mn3O2
_chemical_formula_sum "Mn3 O2"
_cell_length_a 5.68527742
_cell_length_b 5.68458916
_cell_length_c 5.68551593
_cell_angle_alpha 60.002615719999994
_cell_angle_beta 59.99061243
_cell_angle_gamma 60.00680398
_space_group_name_H-... |
DeleteAroundAtomAction | 81c70dc6-652a-401c-af5e-89f93d68ffa1 | mp-38347 | Delete all atoms within 3.34 angstrom around the atom at index 16 in the cif file. | data_image0
_chemical_formula_structural Ca2Pr16Se24
_chemical_formula_sum "Ca2 Pr16 Se24"
_cell_length_a 9.01322339
_cell_length_b 9.013223390000002
_cell_length_c 14.9179562
_cell_angle_alpha 72.45496723
_cell_angle_beta 72.45496723
_cell_angle_gamma 90.0395558
_space_g... | data_image0
_chemical_formula_structural Ca2Pr15Se16
_chemical_formula_sum "Ca2 Pr15 Se16"
_cell_length_a 9.01322339
_cell_length_b 9.013223390000002
_cell_length_c 14.9179562
_cell_angle_alpha 72.45496723
_cell_angle_beta 72.45496723
_cell_angle_gamma 90.0395558
_space_g... |
DeleteAroundAtomAction | 98da6c6c-c6d4-4ca2-a7db-510137321c15 | mp-1027965 | Delete all atoms within 3.293 angstrom around the atom at index 4 in the cif file. | data_image0
_chemical_formula_structural YMg14Ga
_chemical_formula_sum "Y1 Mg14 Ga1"
_cell_length_a 6.4783171
_cell_length_b 6.2636730499999995
_cell_length_c 10.37809344
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 118.90990617
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural YMg6Ga
_chemical_formula_sum "Y1 Mg6 Ga1"
_cell_length_a 6.4783171
_cell_length_b 6.2636730499999995
_cell_length_c 10.37809344
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 118.90990617
_space_group_name_H-M_alt ... |
DeleteAroundAtomAction | 4aa671e9-baf4-4fc2-8f57-b04f4bcce10b | mp-1045861 | Delete all atoms within 3.282 angstrom around the atom at index 3 in the cif file. | data_image0
_chemical_formula_structural Ca2Mn9O13
_chemical_formula_sum "Ca2 Mn9 O13"
_cell_length_a 5.43810899
_cell_length_b 5.43810899
_cell_length_c 17.17977876
_cell_angle_alpha 81.35035052
_cell_angle_beta 81.35035052
_cell_angle_gamma 33.81424450000001
_space_grou... | data_image0
_chemical_formula_structural Ca2Mn5O9
_chemical_formula_sum "Ca2 Mn5 O9"
_cell_length_a 5.43810899
_cell_length_b 5.43810899
_cell_length_c 17.17977876
_cell_angle_alpha 81.35035052
_cell_angle_beta 81.35035052
_cell_angle_gamma 33.81424450000001
_space_group_... |
DeleteAroundAtomAction | 1de13c73-a195-4a97-b0a5-11bb8122a2c7 | mp-1175749 | Delete all atoms within 2.37 angstrom around the atom at index 4 in the cif file. | data_image0
_chemical_formula_structural Li9Mn2Co5O16
_chemical_formula_sum "Li9 Mn2 Co5 O16"
_cell_length_a 5.941684
_cell_length_b 6.452902369999999
_cell_length_c 8.58674106
_cell_angle_alpha 82.81201373999998
_cell_angle_beta 109.37247198
_cell_angle_gamma 114.16547318... | data_image0
_chemical_formula_structural Li8Mn2Co5O10
_chemical_formula_sum "Li8 Mn2 Co5 O10"
_cell_length_a 5.941684
_cell_length_b 6.452902369999999
_cell_length_c 8.58674106
_cell_angle_alpha 82.81201373999998
_cell_angle_beta 109.37247198
_cell_angle_gamma 114.16547318... |
DeleteAroundAtomAction | f317df49-a94a-43c4-9f59-be2989f88b7d | mp-1229052 | Delete all atoms within 3.706 angstrom around the atom at index 40 in the cif file. | data_image0
_chemical_formula_structural Al41V4
_chemical_formula_sum "Al41 V4"
_cell_length_a 10.13341311
_cell_length_b 10.133404340000002
_cell_length_c 10.13343431
_cell_angle_alpha 60.00027868000001
_cell_angle_beta 60.00000942
_cell_angle_gamma 60.00008363
_space_gr... | data_image0
_chemical_formula_structural Al24V4
_chemical_formula_sum "Al24 V4"
_cell_length_a 10.13341311
_cell_length_b 10.133404340000002
_cell_length_c 10.13343431
_cell_angle_alpha 60.00027868000001
_cell_angle_beta 60.00000942
_cell_angle_gamma 60.00008363
_space_gr... |
DeleteAroundAtomAction | d5e5c5e9-fd96-435c-a20e-a8b756bcee66 | mp-1174080 | Delete all atoms within 3.763 angstrom around the atom at index 6 in the cif file. | data_image0
_chemical_formula_structural Li4MnCo3O8
_chemical_formula_sum "Li4 Mn1 Co3 O8"
_cell_length_a 9.86198462
_cell_length_b 9.86198462
_cell_length_c 5.10375864
_cell_angle_alpha 83.85536122000002
_cell_angle_beta 83.85536122000002
_cell_angle_gamma 16.960982359999... | data_image0
_chemical_formula_structural Co2O2
_chemical_formula_sum "Co2 O2"
_cell_length_a 9.86198462
_cell_length_b 9.86198462
_cell_length_c 5.10375864
_cell_angle_alpha 83.85536122000002
_cell_angle_beta 83.85536122000002
_cell_angle_gamma 16.960982359999992
_space_g... |
DeleteAroundAtomAction | a8c17a76-84ca-40c1-b131-99b7ee07cd59 | mp-1030101 | Delete all atoms within 3.822 angstrom around the atom at index 0 in the cif file. | data_image0
_chemical_formula_structural Te4MoW3Se4
_chemical_formula_sum "Te4 Mo1 W3 Se4"
_cell_length_a 3.43778909
_cell_length_b 3.43778909
_cell_length_c 39.166563
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00002099000001
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Te2W3Se4
_chemical_formula_sum "Te2 W3 Se4"
_cell_length_a 3.43778909
_cell_length_b 3.43778909
_cell_length_c 39.166563
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00002099000001
_space_group_name_H-M_alt ... |
DeleteAroundAtomAction | 71925bbd-85fc-46ce-8930-52850883fac7 | mp-1194859 | Delete all atoms within 2.396 angstrom around the atom at index 35 in the cif file. | data_image0
_chemical_formula_structural Al4V4Te8O32
_chemical_formula_sum "Al4 V4 Te8 O32"
_cell_length_a 8.104843
_cell_length_b 4.919119
_cell_length_c 17.93012588
_cell_angle_alpha 90.0
_cell_angle_beta 112.6719878
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Al3V3Te8O31
_chemical_formula_sum "Al3 V3 Te8 O31"
_cell_length_a 8.104843
_cell_length_b 4.919119
_cell_length_c 17.93012588
_cell_angle_alpha 90.0
_cell_angle_beta 112.6719878
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... |
DeleteAroundAtomAction | a2e5a62a-7ee1-4b37-9646-77016f19e3bd | mp-18561 | Delete all atoms within 3.729 angstrom around the atom at index 12 in the cif file. | data_image0
_chemical_formula_structural Ga4As2Rh10
_chemical_formula_sum "Ga4 As2 Rh10"
_cell_length_a 4.01954392
_cell_length_b 5.46160756
_cell_length_c 10.19616715
_cell_angle_alpha 89.98949256000002
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural Ga2Rh4
_chemical_formula_sum "Ga2 Rh4"
_cell_length_a 4.01954392
_cell_length_b 5.46160756
_cell_length_c 10.19616715
_cell_angle_alpha 89.98949256000002
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
DeleteAroundAtomAction | 049277fc-7e74-424b-92e8-8e618d072910 | mp-1208667 | Delete all atoms within 3.246 angstrom around the atom at index 0 in the cif file. | data_image0
_chemical_formula_structural Sr2C4O10
_chemical_formula_sum "Sr2 C4 O10"
_cell_length_a 6.4825783
_cell_length_b 6.482578300000001
_cell_length_c 6.55297993
_cell_angle_alpha 75.39235516
_cell_angle_beta 75.39235516
_cell_angle_gamma 72.68142132
_space_group_n... | data_image0
_chemical_formula_structural SrC4O2
_chemical_formula_sum "Sr1 C4 O2"
_cell_length_a 6.4825783
_cell_length_b 6.482578300000001
_cell_length_c 6.55297993
_cell_angle_alpha 75.39235516
_cell_angle_beta 75.39235516
_cell_angle_gamma 72.68142132
_space_group_name... |
DeleteAroundAtomAction | c4f05d49-4019-47c1-882c-1a1d9fdd833c | mp-774827 | Delete all atoms within 2.457 angstrom around the atom at index 4 in the cif file. | data_image0
_chemical_formula_structural Li4V2CrTeO12
_chemical_formula_sum "Li4 V2 Cr1 Te1 O12"
_cell_length_a 5.06248
_cell_length_b 5.32188995
_cell_length_c 7.32971655
_cell_angle_alpha 86.10822233999998
_cell_angle_beta 89.72000477
_cell_angle_gamma 89.92189222000002
... | data_image0
_chemical_formula_structural Li4VCrTeO6
_chemical_formula_sum "Li4 V1 Cr1 Te1 O6"
_cell_length_a 5.06248
_cell_length_b 5.32188995
_cell_length_c 7.32971655
_cell_angle_alpha 86.10822233999998
_cell_angle_beta 89.72000477
_cell_angle_gamma 89.92189222000002
_s... |
DeleteAroundAtomAction | 20d28f63-7594-4475-aa0c-c8f3e69548f1 | mp-757418 | Delete all atoms within 2.138 angstrom around the atom at index 13 in the cif file. | data_image0
_chemical_formula_structural KTi16O32
_chemical_formula_sum "K1 Ti16 O32"
_cell_length_a 8.536617
_cell_length_b 8.53623361
_cell_length_c 10.41363399
_cell_angle_alpha 102.64098898
_cell_angle_beta 112.04457826
_cell_angle_gamma 105.95426343999999
_space_grou... | data_image0
_chemical_formula_structural KTi15O26
_chemical_formula_sum "K1 Ti15 O26"
_cell_length_a 8.536617
_cell_length_b 8.53623361
_cell_length_c 10.41363399
_cell_angle_alpha 102.64098898
_cell_angle_beta 112.04457826
_cell_angle_gamma 105.95426343999999
_space_grou... |
DeleteAroundAtomAction | e8e31f26-3cf7-4d39-a0a0-c7f8e7c1d5b3 | mp-1213886 | Delete all atoms within 2.949 angstrom around the atom at index 33 in the cif file. | data_image0
_chemical_formula_structural Ce8Tl8F40
_chemical_formula_sum "Ce8 Tl8 F40"
_cell_length_a 8.27363409
_cell_length_b 8.15768151
_cell_length_c 13.54061819
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 102.96680331999998
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural Ce6Tl8F31
_chemical_formula_sum "Ce6 Tl8 F31"
_cell_length_a 8.27363409
_cell_length_b 8.15768151
_cell_length_c 13.54061819
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 102.96680331999998
_space_group_name_H-M_al... |
DeleteAroundAtomAction | e19c2653-caaf-471c-8e67-2ea2506bcddf | mp-1027998 | Delete all atoms within 3.755 angstrom around the atom at index 10 in the cif file. | data_image0
_chemical_formula_structural Mg14ZnCu
_chemical_formula_sum "Mg14 Zn1 Cu1"
_cell_length_a 6.24905681
_cell_length_b 6.24905632
_cell_length_c 9.97630643
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000255999998
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Mg6
_chemical_formula_sum "Mg6"
_cell_length_a 6.24905681
_cell_length_b 6.24905632
_cell_length_c 9.97630643
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000255999998
_space_group_name_H-M_alt "P 1"
_spa... |
DeleteAroundAtomAction | 345c5572-edaf-4161-baa8-b04aece13e58 | mp-1209256 | Delete all atoms within 3.245 angstrom around the atom at index 5 in the cif file. | data_image0
_chemical_formula_structural Sr2GdTaCu2O8
_chemical_formula_sum "Sr2 Gd1 Ta1 Cu2 O8"
_cell_length_a 3.935051
_cell_length_b 3.935051
_cell_length_c 11.73933
_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 Sr2TaCuO5
_chemical_formula_sum "Sr2 Ta1 Cu1 O5"
_cell_length_a 3.935051
_cell_length_b 3.935051
_cell_length_c 11.73933
_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 | 7375bf4f-cf23-4136-9bc8-afa28a588d2b | mp-1023289 | Delete all atoms within 3.232 angstrom around the atom at index 13 in the cif file. | data_image0
_chemical_formula_structural Mg12Al2W2
_chemical_formula_sum "Mg12 Al2 W2"
_cell_length_a 4.961791
_cell_length_b 5.848886
_cell_length_c 10.827339
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_gr... | data_image0
_chemical_formula_structural Mg5AlW
_chemical_formula_sum "Mg5 Al1 W1"
_cell_length_a 4.961791
_cell_length_b 5.848886
_cell_length_c 10.827339
_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 | 677c3193-0df9-4d9c-a981-27b6a0b91509 | mp-1029743 | Delete all atoms within 3.422 angstrom around the atom at index 44 in the cif file. | data_image0
_chemical_formula_structural Ba16Ge16N32
_chemical_formula_sum "Ba16 Ge16 N32"
_cell_length_a 5.593084
_cell_length_b 11.223424
_cell_length_c 16.662798
_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 Ba12Ge14N26
_chemical_formula_sum "Ba12 Ge14 N26"
_cell_length_a 5.593084
_cell_length_b 11.223424
_cell_length_c 16.662798
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... |
DeleteAroundAtomAction | 1fdcad20-293f-4a2b-96f7-deb41bdad020 | mp-796259 | Delete all atoms within 2.869 angstrom around the atom at index 11 in the cif file. | data_image0
_chemical_formula_structural Fe4O8
_chemical_formula_sum "Fe4 O8"
_cell_length_a 3.036458
_cell_length_b 4.652907
_cell_length_c 9.475864
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_group_IT_num... | data_image0
_chemical_formula_structural Fe2O3
_chemical_formula_sum "Fe2 O3"
_cell_length_a 3.036458
_cell_length_b 4.652907
_cell_length_c 9.475864
_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 | 408eeefb-d1db-4150-b7bb-ba994aa9fef7 | mp-2747986 | Delete all atoms within 3.233 angstrom around the atom at index 2 in the cif file. | data_image0
_chemical_formula_structural Cs2U4O12
_chemical_formula_sum "Cs2 U4 O12"
_cell_length_a 7.91228418
_cell_length_b 7.91201927
_cell_length_c 7.86210432
_cell_angle_alpha 60.17598872
_cell_angle_beta 60.17802232
_cell_angle_gamma 60.41923994999999
_space_group_n... | data_image0
_chemical_formula_structural Cs2U3O6
_chemical_formula_sum "Cs2 U3 O6"
_cell_length_a 7.91228418
_cell_length_b 7.91201927
_cell_length_c 7.86210432
_cell_angle_alpha 60.17598872
_cell_angle_beta 60.17802232
_cell_angle_gamma 60.41923994999999
_space_group_nam... |
DeleteAroundAtomAction | f7b7920f-cf31-4924-8364-4f4c694912b7 | mp-779526 | Delete all atoms within 3.509 angstrom around the atom at index 6 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 Fe5O9F5
_chemical_formula_sum "Fe5 O9 F5"
_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 | fd10451a-3f5f-47b0-ac96-de9d50af73fb | mp-35143 | Delete all atoms within 2.615 angstrom around the atom at index 6 in the cif file. | data_image0
_chemical_formula_structural Ba2Nb2S6
_chemical_formula_sum "Ba2 Nb2 S6"
_cell_length_a 6.95265609
_cell_length_b 6.95265518
_cell_length_c 5.73582701
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99998911000002
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ba2S5
_chemical_formula_sum "Ba2 S5"
_cell_length_a 6.95265609
_cell_length_b 6.95265518
_cell_length_c 5.73582701
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99998911000002
_space_group_name_H-M_alt "P 1"... |
DeleteAroundAtomAction | dfbe7fa3-f9dd-40c2-99ff-68ff58e335a0 | mp-758815 | Delete all atoms within 2.364 angstrom around the atom at index 63 in the cif file. | data_image0
_chemical_formula_structural Li8Mn4P16O48
_chemical_formula_sum "Li8 Mn4 P16 O48"
_cell_length_a 11.142329
_cell_length_b 7.490572
_cell_length_c 13.21386225
_cell_angle_alpha 74.52130082
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Li8Mn4P14O47
_chemical_formula_sum "Li8 Mn4 P14 O47"
_cell_length_a 11.142329
_cell_length_b 7.490572
_cell_length_c 13.21386225
_cell_angle_alpha 74.52130082
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
DeleteAroundAtomAction | cb895cfa-0c5c-4c28-a9bd-727c73c10308 | mp-1178619 | Delete all atoms within 3.432 angstrom around the atom at index 30 in the cif file. | data_image0
_chemical_formula_structural Zr2Cl8O32
_chemical_formula_sum "Zr2 Cl8 O32"
_cell_length_a 8.27100313
_cell_length_b 8.27100313
_cell_length_c 13.87605052
_cell_angle_alpha 75.16549651
_cell_angle_beta 75.16549651
_cell_angle_gamma 63.03230164000001
_space_grou... | data_image0
_chemical_formula_structural Zr2Cl7O26
_chemical_formula_sum "Zr2 Cl7 O26"
_cell_length_a 8.27100313
_cell_length_b 8.27100313
_cell_length_c 13.87605052
_cell_angle_alpha 75.16549651
_cell_angle_beta 75.16549651
_cell_angle_gamma 63.03230164000001
_space_grou... |
DeleteAroundAtomAction | 650bf7bb-c17b-437e-9e3e-da80081423be | mp-780315 | Delete all atoms within 2.467 angstrom around the atom at index 9 in the cif file. | data_image0
_chemical_formula_structural Li4Cr2Fe3O10
_chemical_formula_sum "Li4 Cr2 Fe3 O10"
_cell_length_a 5.114969
_cell_length_b 5.13503036
_cell_length_c 7.829969649999999
_cell_angle_alpha 72.33638857
_cell_angle_beta 72.04430987
_cell_angle_gamma 80.09595811
_space... | data_image0
_chemical_formula_structural Li3CrO9
_chemical_formula_sum "Li3 Cr1 O9"
_cell_length_a 5.114969
_cell_length_b 5.13503036
_cell_length_c 7.829969649999999
_cell_angle_alpha 72.33638857
_cell_angle_beta 72.04430987
_cell_angle_gamma 80.09595811
_space_group_nam... |
DeleteAroundAtomAction | e0440cb2-5323-4cb2-886d-2dd81b97ecd8 | mp-780431 | Delete all atoms within 1.751 angstrom around the atom at index 62 in the cif file. | data_image0
_chemical_formula_structural Li8Fe8P8H16O40
_chemical_formula_sum "Li8 Fe8 P8 H16 O40"
_cell_length_a 5.156879
_cell_length_b 10.022673
_cell_length_c 16.99323
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Li8Fe8P8H14O39
_chemical_formula_sum "Li8 Fe8 P8 H14 O39"
_cell_length_a 5.156879
_cell_length_b 10.022673
_cell_length_c 16.99323
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
DeleteAroundAtomAction | a0de6a37-974f-4d50-9555-f1993fb1e156 | mp-850188 | Delete all atoms within 3.408 angstrom around the atom at index 6 in the cif file. | data_image0
_chemical_formula_structural Li2V2O2F8
_chemical_formula_sum "Li2 V2 O2 F8"
_cell_length_a 5.41882944
_cell_length_b 5.41882944
_cell_length_c 10.245645
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 140.95590219
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural LiVOF3
_chemical_formula_sum "Li1 V1 O1 F3"
_cell_length_a 5.41882944
_cell_length_b 5.41882944
_cell_length_c 10.245645
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 140.95590219
_space_group_name_H-M_alt "P 1"... |
DeleteAroundAtomAction | f0f16244-705c-4d8f-a26c-9f2772991d5a | mp-699403 | Delete all atoms within 3.059 angstrom around the atom at index 12 in the cif file. | data_image0
_chemical_formula_structural Ba2La6Ti2Cr6O24
_chemical_formula_sum "Ba2 La6 Ti2 Cr6 O24"
_cell_length_a 11.177216
_cell_length_b 5.600776
_cell_length_c 7.92704114
_cell_angle_alpha 89.40242338000002
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_na... | data_image0
_chemical_formula_structural Ba2La6Ti2Cr5O18
_chemical_formula_sum "Ba2 La6 Ti2 Cr5 O18"
_cell_length_a 11.177216
_cell_length_b 5.600776
_cell_length_c 7.92704114
_cell_angle_alpha 89.40242338000002
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_na... |
DeleteAroundAtomAction | 29239898-827a-4653-95d2-f7d3134918ef | mp-559738 | Delete all atoms within 3.513 angstrom around the atom at index 55 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 Sb7S8N7Cl36
_chemical_formula_sum "Sb7 S8 N7 Cl36"
_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 | 2d37ede5-03fc-468d-946b-e088c00f75d3 | mp-1198626 | Delete all atoms within 1.82 angstrom around the atom at index 68 in the cif file. | data_image0
_chemical_formula_structural K12Co4C24O56
_chemical_formula_sum "K12 Co4 C24 O56"
_cell_length_a 13.20634269
_cell_length_b 13.20634269
_cell_length_c 12.71587269
_cell_angle_alpha 65.56575789
_cell_angle_beta 65.56575789
_cell_angle_gamma 51.40480058000001
_s... | data_image0
_chemical_formula_structural K12Co4C23O55
_chemical_formula_sum "K12 Co4 C23 O55"
_cell_length_a 13.20634269
_cell_length_b 13.20634269
_cell_length_c 12.71587269
_cell_angle_alpha 65.56575789
_cell_angle_beta 65.56575789
_cell_angle_gamma 51.40480058000001
_s... |
DeleteAroundAtomAction | 27037db1-d227-4c2e-a189-aacfba730266 | mp-1235973 | Delete all atoms within 2.596 angstrom around the atom at index 15 in the cif file. | data_image0
_chemical_formula_structural LiY4Ag4O12
_chemical_formula_sum "Li1 Y4 Ag4 O12"
_cell_length_a 6.17700983
_cell_length_b 7.209114630000001
_cell_length_c 6.964862
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 72.68391668
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural LiY2Ag3O10
_chemical_formula_sum "Li1 Y2 Ag3 O10"
_cell_length_a 6.17700983
_cell_length_b 7.209114630000001
_cell_length_c 6.964862
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 72.68391668
_space_group_name_H-M_a... |
DeleteAroundAtomAction | e76daec8-fa7b-4d88-87e1-d4be373f152a | mp-765943 | Delete all atoms within 3.551 angstrom around the atom at index 12 in the cif file. | data_image0
_chemical_formula_structural Li12V8O16F8
_chemical_formula_sum "Li12 V8 O16 F8"
_cell_length_a 5.28340534
_cell_length_b 14.97931066
_cell_length_c 5.89211982
_cell_angle_alpha 100.62400067999998
_cell_angle_beta 91.38468044
_cell_angle_gamma 87.02975482
_spac... | data_image0
_chemical_formula_structural Li8V4O10F8
_chemical_formula_sum "Li8 V4 O10 F8"
_cell_length_a 5.28340534
_cell_length_b 14.97931066
_cell_length_c 5.89211982
_cell_angle_alpha 100.62400067999998
_cell_angle_beta 91.38468044
_cell_angle_gamma 87.02975482
_space_... |
DeleteAroundAtomAction | a1cb47ab-331d-4680-93a4-ce5d4b2e2ecc | mp-25954 | Delete all atoms within 3.243 angstrom around the atom at index 29 in the cif file. | data_image0
_chemical_formula_structural Co6P6O24
_chemical_formula_sum "Co6 P6 O24"
_cell_length_a 7.44144799
_cell_length_b 7.441447990000001
_cell_length_c 9.372664
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999993
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Co5P5O15
_chemical_formula_sum "Co5 P5 O15"
_cell_length_a 7.44144799
_cell_length_b 7.441447990000001
_cell_length_c 9.372664
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999993
_space_group_name_H-M_alt ... |
DeleteAroundAtomAction | c5bcd70a-8b4f-494b-8879-1dda6275a504 | mp-16136 | Delete all atoms within 3.219 angstrom around the atom at index 8 in the cif file. | data_image0
_chemical_formula_structural Sr3TaGa3Si2O14
_chemical_formula_sum "Sr3 Ta1 Ga3 Si2 O14"
_cell_length_a 8.41219425
_cell_length_b 8.41219425
_cell_length_c 5.129503
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000200999999
_space_group_n... | data_image0
_chemical_formula_structural Sr3TaSiO10
_chemical_formula_sum "Sr3 Ta1 Si1 O10"
_cell_length_a 8.41219425
_cell_length_b 8.41219425
_cell_length_c 5.129503
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000200999999
_space_group_name_H-M_... |
DeleteAroundAtomAction | 65b58480-ca35-406a-8b67-88a42d459f1c | mp-755023 | Delete all atoms within 1.981 angstrom around the atom at index 3 in the cif file. | data_image0
_chemical_formula_structural Mg2Mn3O8
_chemical_formula_sum "Mg2 Mn3 O8"
_cell_length_a 5.82429502
_cell_length_b 5.82429502
_cell_length_c 4.80445645
_cell_angle_alpha 72.93029128
_cell_angle_beta 107.06970872
_cell_angle_gamma 121.61605819
_space_group_name_... | data_image0
_chemical_formula_structural Mg2Mn2O2
_chemical_formula_sum "Mg2 Mn2 O2"
_cell_length_a 5.82429502
_cell_length_b 5.82429502
_cell_length_c 4.80445645
_cell_angle_alpha 72.93029128
_cell_angle_beta 107.06970872
_cell_angle_gamma 121.61605819
_space_group_name_... |
DeleteAroundAtomAction | a3c37690-79c8-44a6-97c4-7302def336e1 | mp-1217240 | Delete all atoms within 3.303 angstrom around the atom at index 16 in the cif file. | data_image0
_chemical_formula_structural U6P8S32
_chemical_formula_sum "U6 P8 S32"
_cell_length_a 12.18009283
_cell_length_b 12.18009283
_cell_length_c 12.18009283
_cell_angle_alpha 126.52364913
_cell_angle_beta 126.52364913
_cell_angle_gamma 79.02917861
_space_group_name... | data_image0
_chemical_formula_structural U5P7S29
_chemical_formula_sum "U5 P7 S29"
_cell_length_a 12.18009283
_cell_length_b 12.18009283
_cell_length_c 12.18009283
_cell_angle_alpha 126.52364913
_cell_angle_beta 126.52364913
_cell_angle_gamma 79.02917861
_space_group_name... |
DeleteAroundAtomAction | 92596600-bc3c-40eb-ad91-ba1968ec71aa | mp-867658 | Delete all atoms within 3.066 angstrom around the atom at index 49 in the cif file. | data_image0
_chemical_formula_structural La14Mn13O42
_chemical_formula_sum "La14 Mn13 O42"
_cell_length_a 9.68085979
_cell_length_b 9.680859790000001
_cell_length_c 9.680859540000002
_cell_angle_alpha 100.23966913
_cell_angle_beta 100.23966913
_cell_angle_gamma 100.2396779... | data_image0
_chemical_formula_structural La11Mn11O33
_chemical_formula_sum "La11 Mn11 O33"
_cell_length_a 9.68085979
_cell_length_b 9.680859790000001
_cell_length_c 9.680859540000002
_cell_angle_alpha 100.23966913
_cell_angle_beta 100.23966913
_cell_angle_gamma 100.2396779... |
DeleteAroundAtomAction | 3ba2cd6b-9dcb-415d-b64a-09fc364760ef | mp-1076079 | Delete all atoms within 2.341 angstrom around the atom at index 30 in the cif file. | data_image0
_chemical_formula_structural Sr5Ca3MnFe7O24
_chemical_formula_sum "Sr5 Ca3 Mn1 Fe7 O24"
_cell_length_a 7.7761693
_cell_length_b 7.776169299999999
_cell_length_c 7.77140523
_cell_angle_alpha 89.99016139999999
_cell_angle_beta 89.99016139999999
_cell_angle_gamma ... | data_image0
_chemical_formula_structural Sr5Ca3MnFe5O23
_chemical_formula_sum "Sr5 Ca3 Mn1 Fe5 O23"
_cell_length_a 7.7761693
_cell_length_b 7.776169299999999
_cell_length_c 7.77140523
_cell_angle_alpha 89.99016139999999
_cell_angle_beta 89.99016139999999
_cell_angle_gamma ... |
DeleteAroundAtomAction | 43395be1-1a4e-4583-9adf-92f7c2126f0b | mp-1176457 | Delete all atoms within 2.59 angstrom around the atom at index 0 in the cif file. | data_image0
_chemical_formula_structural Mn6O2F10
_chemical_formula_sum "Mn6 O2 F10"
_cell_length_a 5.858324
_cell_length_b 5.89193293
_cell_length_c 7.57491206
_cell_angle_alpha 73.75590791
_cell_angle_beta 73.47966378
_cell_angle_gamma 71.89549521
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Mn5OF5
_chemical_formula_sum "Mn5 O1 F5"
_cell_length_a 5.858324
_cell_length_b 5.89193293
_cell_length_c 7.57491206
_cell_angle_alpha 73.75590791
_cell_angle_beta 73.47966378
_cell_angle_gamma 71.89549521
_space_group_name_H-M_alt... |
DeleteAroundAtomAction | 2a891690-f698-4316-b82c-c244eb3ae533 | mp-733581 | Delete all atoms within 2.186 angstrom around the atom at index 64 in the cif file. | data_image0
_chemical_formula_structural Pr8H8Se16O48
_chemical_formula_sum "Pr8 H8 Se16 O48"
_cell_length_a 7.08154831
_cell_length_b 8.41853341
_cell_length_c 18.8842553
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Pr8H8Se15O47
_chemical_formula_sum "Pr8 H8 Se15 O47"
_cell_length_a 7.08154831
_cell_length_b 8.41853341
_cell_length_c 18.8842553
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
DeleteAroundAtomAction | cc21ae48-a0ff-4d90-9779-3e8ab185d4fb | mp-1219022 | Delete all atoms within 2.533 angstrom around the atom at index 4 in the cif file. | data_image0
_chemical_formula_structural SmTiFe11
_chemical_formula_sum "Sm1 Ti1 Fe11"
_cell_length_a 4.711788
_cell_length_b 6.48591216
_cell_length_c 6.48591216
_cell_angle_alpha 97.20522104999999
_cell_angle_beta 111.29884729000001
_cell_angle_gamma 68.70115270999999
_... | data_image0
_chemical_formula_structural SmTiFe5
_chemical_formula_sum "Sm1 Ti1 Fe5"
_cell_length_a 4.711788
_cell_length_b 6.48591216
_cell_length_c 6.48591216
_cell_angle_alpha 97.20522104999999
_cell_angle_beta 111.29884729000001
_cell_angle_gamma 68.70115270999999
_sp... |
DeleteAroundAtomAction | 480cd557-34e8-4db7-8661-18f9c067d7fb | mp-1224278 | Delete all atoms within 3.381 angstrom around the atom at index 9 in the cif file. | data_image0
_chemical_formula_structural K4PSe3O16
_chemical_formula_sum "K4 P1 Se3 O16"
_cell_length_a 7.629799
_cell_length_b 7.85621056
_cell_length_c 7.88514763
_cell_angle_alpha 72.25737369
_cell_angle_beta 85.68888994999999
_cell_angle_gamma 87.02703044
_space_group... | data_image0
_chemical_formula_structural K2PSe2O10
_chemical_formula_sum "K2 P1 Se2 O10"
_cell_length_a 7.629799
_cell_length_b 7.85621056
_cell_length_c 7.88514763
_cell_angle_alpha 72.25737369
_cell_angle_beta 85.68888994999999
_cell_angle_gamma 87.02703044
_space_group... |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.