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 | 7e91dbbd-ee23-4117-9c1c-5ae2704ce94c | mp-1216954 | Delete all atoms within 3.023 angstrom around the atom at index 6 in the cif file. | data_image0
_chemical_formula_structural Tm6Sc6Ge6
_chemical_formula_sum "Tm6 Sc6 Ge6"
_cell_length_a 6.11750201
_cell_length_b 8.67726062
_cell_length_c 9.09550533
_cell_angle_alpha 58.399634080000006
_cell_angle_beta 90.00032653
_cell_angle_gamma 90.00560102
_space_grou... | data_image0
_chemical_formula_structural Tm6Sc5Ge4
_chemical_formula_sum "Tm6 Sc5 Ge4"
_cell_length_a 6.11750201
_cell_length_b 8.67726062
_cell_length_c 9.09550533
_cell_angle_alpha 58.399634080000006
_cell_angle_beta 90.00032653
_cell_angle_gamma 90.00560102
_space_grou... |
DeleteAroundAtomAction | 7d6e4707-dcb8-44d2-ad33-517c7c5dcefc | mp-2426125 | Delete all atoms within 3.347 angstrom around the atom at index 7 in the cif file. | data_image0
_chemical_formula_structural Mg18Sn10
_chemical_formula_sum "Mg18 Sn10"
_cell_length_a 8.88839894
_cell_length_b 8.888398940000002
_cell_length_c 8.88839933
_cell_angle_alpha 96.87517038
_cell_angle_beta 96.87517036999999
_cell_angle_gamma 96.87516981
_space_g... | data_image0
_chemical_formula_structural Mg17Sn5
_chemical_formula_sum "Mg17 Sn5"
_cell_length_a 8.88839894
_cell_length_b 8.888398940000002
_cell_length_c 8.88839933
_cell_angle_alpha 96.87517038
_cell_angle_beta 96.87517036999999
_cell_angle_gamma 96.87516981
_space_gro... |
DeleteAroundAtomAction | 32fa558b-4197-4016-acb7-d89ca159fc9b | mp-1174883 | Delete all atoms within 2.82 angstrom around the atom at index 0 in the cif file. | data_image0
_chemical_formula_structural Li8Mn2Co4O14
_chemical_formula_sum "Li8 Mn2 Co4 O14"
_cell_length_a 5.09190036
_cell_length_b 5.09190036
_cell_length_c 18.027240309999996
_cell_angle_alpha 83.42724665
_cell_angle_beta 83.42724665
_cell_angle_gamma 32.6933560999999... | data_image0
_chemical_formula_structural Li6Mn2Co4O10
_chemical_formula_sum "Li6 Mn2 Co4 O10"
_cell_length_a 5.09190036
_cell_length_b 5.09190036
_cell_length_c 18.027240309999996
_cell_angle_alpha 83.42724665
_cell_angle_beta 83.42724665
_cell_angle_gamma 32.6933560999999... |
DeleteAroundAtomAction | 6752d415-2f6c-474f-aa51-530cef931831 | mp-1106406 | Delete all atoms within 3.017 angstrom around the atom at index 0 in the cif file. | data_image0
_chemical_formula_structural Ce4Sn2S10
_chemical_formula_sum "Ce4 Sn2 S10"
_cell_length_a 3.93351799
_cell_length_b 7.87728947
_cell_length_c 11.4720556
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... | data_image0
_chemical_formula_structural Ce3Sn2S7
_chemical_formula_sum "Ce3 Sn2 S7"
_cell_length_a 3.93351799
_cell_length_b 7.87728947
_cell_length_c 11.4720556
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space... |
DeleteAroundAtomAction | 471b8edb-9f2c-4d73-87eb-50f8584e9574 | mp-541006 | Delete all atoms within 3.124 angstrom around the atom at index 15 in the cif file. | data_image0
_chemical_formula_structural Ba4Tl4V4O16
_chemical_formula_sum "Ba4 Tl4 V4 O16"
_cell_length_a 6.013787
_cell_length_b 8.022234
_cell_length_c 10.631409
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... | data_image0
_chemical_formula_structural Ba2Tl3V3O12
_chemical_formula_sum "Ba2 Tl3 V3 O12"
_cell_length_a 6.013787
_cell_length_b 8.022234
_cell_length_c 10.631409
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... |
DeleteAroundAtomAction | 055131cc-be1d-417d-abf4-3123d3985299 | mp-1211876 | Delete all atoms within 2.934 angstrom around the atom at index 65 in the cif file. | data_image0
_chemical_formula_structural K4Hf24C4Cl60
_chemical_formula_sum "K4 Hf24 C4 Cl60"
_cell_length_a 9.739911
_cell_length_b 13.94139
_cell_length_c 18.577338
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_s... | data_image0
_chemical_formula_structural K4Hf22C4Cl59
_chemical_formula_sum "K4 Hf22 C4 Cl59"
_cell_length_a 9.739911
_cell_length_b 13.94139
_cell_length_c 18.577338
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_s... |
DeleteAroundAtomAction | 1884183b-1e01-4e3d-a8bd-efc3d5c1e603 | mp-2232781 | Delete all atoms within 3.905 angstrom around the atom at index 0 in the cif file. | data_image0
_chemical_formula_structural MgTi4Pb2O9F2
_chemical_formula_sum "Mg1 Ti4 Pb2 O9 F2"
_cell_length_a 3.75899027
_cell_length_b 8.611130359999999
_cell_length_c 7.98888701
_cell_angle_alpha 88.15670280999998
_cell_angle_beta 76.39283241
_cell_angle_gamma 77.392941... | data_image0
_chemical_formula_structural O5
_chemical_formula_sum "O5"
_cell_length_a 3.75899027
_cell_length_b 8.611130359999999
_cell_length_c 7.98888701
_cell_angle_alpha 88.15670280999998
_cell_angle_beta 76.39283241
_cell_angle_gamma 77.39294174
_space_group_name_H-M... |
DeleteAroundAtomAction | 52174e25-0eeb-4f07-8152-92cf362a95a0 | mp-1211275 | Delete all atoms within 3.116 angstrom around the atom at index 8 in the cif file. | data_image0
_chemical_formula_structural KMg3Si4O12
_chemical_formula_sum "K1 Mg3 Si4 O12"
_cell_length_a 5.31933259
_cell_length_b 5.31933259
_cell_length_c 10.37244294
_cell_angle_alpha 85.73575754
_cell_angle_beta 85.73575754
_cell_angle_gamma 120.82269515
_space_group... | data_image0
_chemical_formula_structural Mg3Si2O7
_chemical_formula_sum "Mg3 Si2 O7"
_cell_length_a 5.31933259
_cell_length_b 5.31933259
_cell_length_c 10.37244294
_cell_angle_alpha 85.73575754
_cell_angle_beta 85.73575754
_cell_angle_gamma 120.82269515
_space_group_name_... |
DeleteAroundAtomAction | 306e94f6-5367-4a57-ac3c-4ad1e8ddeb9a | mp-568136 | Delete all atoms within 3.924 angstrom around the atom at index 23 in the cif file. | data_image0
_chemical_formula_structural Rb6V6Br18
_chemical_formula_sum "Rb6 V6 Br18"
_cell_length_a 12.89200448
_cell_length_b 12.891954179999999
_cell_length_c 6.45834038
_cell_angle_alpha 90.00080995
_cell_angle_beta 89.99957499999998
_cell_angle_gamma 119.999950160000... | data_image0
_chemical_formula_structural Rb3V4Br11
_chemical_formula_sum "Rb3 V4 Br11"
_cell_length_a 12.89200448
_cell_length_b 12.891954179999999
_cell_length_c 6.45834038
_cell_angle_alpha 90.00080995
_cell_angle_beta 89.99957499999998
_cell_angle_gamma 119.999950160000... |
DeleteAroundAtomAction | cffd9d8c-b67d-48c2-ad5a-4954a7c7b550 | mp-765621 | Delete all atoms within 2.711 angstrom around the atom at index 21 in the cif file. | data_image0
_chemical_formula_structural V4F20
_chemical_formula_sum "V4 F20"
_cell_length_a 13.05659519
_cell_length_b 5.37688666
_cell_length_c 4.87872772
_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 V3F14
_chemical_formula_sum "V3 F14"
_cell_length_a 13.05659519
_cell_length_b 5.37688666
_cell_length_c 4.87872772
_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 | 4395810d-9f85-47f5-95e2-397bb01132f6 | mp-1104730 | Delete all atoms within 2.636 angstrom around the atom at index 6 in the cif file. | data_image0
_chemical_formula_structural Sm2Ni8Sn4
_chemical_formula_sum "Sm2 Ni8 Sn4"
_cell_length_a 6.71814651
_cell_length_b 6.71814651
_cell_length_c 6.7181465099999995
_cell_angle_alpha 107.69357689
_cell_angle_beta 110.36728819
_cell_angle_gamma 110.36728819
_space_... | data_image0
_chemical_formula_structural Sm2Ni4Sn3
_chemical_formula_sum "Sm2 Ni4 Sn3"
_cell_length_a 6.71814651
_cell_length_b 6.71814651
_cell_length_c 6.7181465099999995
_cell_angle_alpha 107.69357689
_cell_angle_beta 110.36728819
_cell_angle_gamma 110.36728819
_space_... |
DeleteAroundAtomAction | 8d42f946-7fd4-46e6-a629-40553864e058 | mp-723254 | Delete all atoms within 2.614 angstrom around the atom at index 43 in the cif file. | data_image0
_chemical_formula_structural Na11Zr8Si7P5O48
_chemical_formula_sum "Na11 Zr8 Si7 P5 O48"
_cell_length_a 9.14653
_cell_length_b 9.16047102
_cell_length_c 16.214463389999995
_cell_angle_alpha 106.09077692999999
_cell_angle_beta 90.2238237
_cell_angle_gamma 119.76... | data_image0
_chemical_formula_structural Na10Zr7Si6P5O46
_chemical_formula_sum "Na10 Zr7 Si6 P5 O46"
_cell_length_a 9.14653
_cell_length_b 9.16047102
_cell_length_c 16.214463389999995
_cell_angle_alpha 106.09077692999999
_cell_angle_beta 90.2238237
_cell_angle_gamma 119.76... |
DeleteAroundAtomAction | c9aece4e-5c06-4cf0-b2fc-06be2ad2e540 | mp-1103810 | Delete all atoms within 1.7 angstrom around the atom at index 9 in the cif file. | data_image0
_chemical_formula_structural Y6Al2C6
_chemical_formula_sum "Y6 Al2 C6"
_cell_length_a 3.57785812
_cell_length_b 7.05402041
_cell_length_c 9.96492032
_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 Y6Al2C4
_chemical_formula_sum "Y6 Al2 C4"
_cell_length_a 3.57785812
_cell_length_b 7.05402041
_cell_length_c 9.96492032
_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 | 0ceac700-83bc-487d-9801-15098c5ec6b6 | mp-1078810 | Delete all atoms within 3.901 angstrom around the atom at index 4 in the cif file. | data_image0
_chemical_formula_structural Sc4Sn2Au4
_chemical_formula_sum "Sc4 Sn2 Au4"
_cell_length_a 7.58665667
_cell_length_b 7.58665667
_cell_length_c 3.54939042
_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 Sn
_chemical_formula_sum "Sn1"
_cell_length_a 7.58665667
_cell_length_b 7.58665667
_cell_length_c 3.54939042
_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 | 8e04c33a-6352-4ef4-aeb2-01e64568d84a | mp-768848 | Delete all atoms within 2.903 angstrom around the atom at index 8 in the cif file. | data_image0
_chemical_formula_structural Tb4W6O24
_chemical_formula_sum "Tb4 W6 O24"
_cell_length_a 6.9584645
_cell_length_b 6.9584645
_cell_length_c 11.448500800000001
_cell_angle_alpha 79.13326657
_cell_angle_beta 79.13326657
_cell_angle_gamma 111.97316103
_space_group_... | data_image0
_chemical_formula_structural Tb4W5O19
_chemical_formula_sum "Tb4 W5 O19"
_cell_length_a 6.9584645
_cell_length_b 6.9584645
_cell_length_c 11.448500800000001
_cell_angle_alpha 79.13326657
_cell_angle_beta 79.13326657
_cell_angle_gamma 111.97316103
_space_group_... |
DeleteAroundAtomAction | 6ec35b09-80f2-4914-92f6-340f12ce241e | mp-2239931 | Delete all atoms within 3.881 angstrom around the atom at index 3 in the cif file. | data_image0
_chemical_formula_structural MgMo3Se4S2
_chemical_formula_sum "Mg1 Mo3 Se4 S2"
_cell_length_a 3.283263
_cell_length_b 3.28321277
_cell_length_c 36.17756637
_cell_angle_alpha 89.98550332
_cell_angle_beta 90.0
_cell_angle_gamma 120.00047585000002
_space_group_na... | data_image0
_chemical_formula_structural MgMo2Se4
_chemical_formula_sum "Mg1 Mo2 Se4"
_cell_length_a 3.283263
_cell_length_b 3.28321277
_cell_length_c 36.17756637
_cell_angle_alpha 89.98550332
_cell_angle_beta 90.0
_cell_angle_gamma 120.00047585000002
_space_group_name_H-... |
DeleteAroundAtomAction | d019ed54-ebaa-4595-975f-94e58e5a4244 | mp-1110608 | Delete all atoms within 2.967 angstrom around the atom at index 6 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 Rb2F5
_chemical_formula_sum "Rb2 F5"
_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_group... |
DeleteAroundAtomAction | 2ce44116-3674-4588-89f5-5e7626ed58e5 | mp-725609 | Delete all atoms within 3.881 angstrom around the atom at index 6 in the cif file. | data_image0
_chemical_formula_structural C4N4O10
_chemical_formula_sum "C4 N4 O10"
_cell_length_a 4.01762
_cell_length_b 9.1395961
_cell_length_c 10.21360428
_cell_angle_alpha 88.98519127
_cell_angle_beta 89.72633846
_cell_angle_gamma 87.11571146000001
_space_group_name_H... | data_image0
_chemical_formula_structural C3N2O4
_chemical_formula_sum "C3 N2 O4"
_cell_length_a 4.01762
_cell_length_b 9.1395961
_cell_length_c 10.21360428
_cell_angle_alpha 88.98519127
_cell_angle_beta 89.72633846
_cell_angle_gamma 87.11571146000001
_space_group_name_H-M... |
DeleteAroundAtomAction | 563714d9-fea5-4d21-8432-cb7e6b3705a3 | mp-1246779 | Delete all atoms within 3.436 angstrom around the atom at index 20 in the cif file. | data_image0
_chemical_formula_structural Ba10Hf4N12
_chemical_formula_sum "Ba10 Hf4 N12"
_cell_length_a 6.76065813
_cell_length_b 7.47593269
_cell_length_c 14.96414338
_cell_angle_alpha 89.99999939
_cell_angle_beta 95.29358311
_cell_angle_gamma 123.56617759
_space_group_n... | data_image0
_chemical_formula_structural Ba6Hf3N9
_chemical_formula_sum "Ba6 Hf3 N9"
_cell_length_a 6.76065813
_cell_length_b 7.47593269
_cell_length_c 14.96414338
_cell_angle_alpha 89.99999939
_cell_angle_beta 95.29358311
_cell_angle_gamma 123.56617759
_space_group_name_... |
DeleteAroundAtomAction | 487258d4-ddb1-4887-b7ce-45465cdbe2a3 | mp-560911 | Delete all atoms within 3.337 angstrom around the atom at index 74 in the cif file. | data_image0
_chemical_formula_structural Mn12B28Br4O52
_chemical_formula_sum "Mn12 B28 Br4 O52"
_cell_length_a 8.785226
_cell_length_b 8.805237
_cell_length_c 12.45452
_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 Mn10B23Br4O41
_chemical_formula_sum "Mn10 B23 Br4 O41"
_cell_length_a 8.785226
_cell_length_b 8.805237
_cell_length_c 12.45452
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
DeleteAroundAtomAction | ed2391a9-a7a8-4025-a536-ee4ef45240cf | mp-1227709 | Delete all atoms within 1.676 angstrom around the atom at index 25 in the cif file. | data_image0
_chemical_formula_structural Bi2P6Pb6O24
_chemical_formula_sum "Bi2 P6 Pb6 O24"
_cell_length_a 9.16329836
_cell_length_b 9.163298359999999
_cell_length_c 9.13296043
_cell_angle_alpha 70.48711050999998
_cell_angle_beta 70.48711050999998
_cell_angle_gamma 109.421... | data_image0
_chemical_formula_structural Bi2P5Pb6O23
_chemical_formula_sum "Bi2 P5 Pb6 O23"
_cell_length_a 9.16329836
_cell_length_b 9.163298359999999
_cell_length_c 9.13296043
_cell_angle_alpha 70.48711050999998
_cell_angle_beta 70.48711050999998
_cell_angle_gamma 109.421... |
DeleteAroundAtomAction | 09335f38-39db-4348-b9a5-a4ab28a0a534 | mp-650121 | Delete all atoms within 2.031 angstrom around the atom at index 2 in the cif file. | data_image0
_chemical_formula_structural Li12Se6O24
_chemical_formula_sum "Li12 Se6 O24"
_cell_length_a 8.634345
_cell_length_b 9.07239497
_cell_length_c 9.08747216
_cell_angle_alpha 92.87802271
_cell_angle_beta 113.42088352
_cell_angle_gamma 104.85194428
_space_group_nam... | data_image0
_chemical_formula_structural Li11Se6O22
_chemical_formula_sum "Li11 Se6 O22"
_cell_length_a 8.634345
_cell_length_b 9.07239497
_cell_length_c 9.08747216
_cell_angle_alpha 92.87802271
_cell_angle_beta 113.42088352
_cell_angle_gamma 104.85194428
_space_group_nam... |
DeleteAroundAtomAction | 7021f301-848b-44b7-9464-158b432641d0 | mp-801544 | Delete all atoms within 2.898 angstrom around the atom at index 39 in the cif file. | data_image0
_chemical_formula_structural V2P4H16N4O16
_chemical_formula_sum "V2 P4 H16 N4 O16"
_cell_length_a 5.811218
_cell_length_b 8.425524
_cell_length_c 8.425974
_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 VP2H15N4O11
_chemical_formula_sum "V1 P2 H15 N4 O11"
_cell_length_a 5.811218
_cell_length_b 8.425524
_cell_length_c 8.425974
_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 | 97ff2b0d-1091-4ade-b7ce-012e3776feb1 | mp-1194264 | Delete all atoms within 3.849 angstrom around the atom at index 24 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 Sc2Al8Ni6
_chemical_formula_sum "Sc2 Al8 Ni6"
_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 | 95ee64fa-b020-4ecb-ab41-ff858f27e24f | mp-1192051 | Delete all atoms within 3.209 angstrom around the atom at index 7 in the cif file. | data_image0
_chemical_formula_structural Nd5Ni19
_chemical_formula_sum "Nd5 Ni19"
_cell_length_a 4.97905961
_cell_length_b 4.97906
_cell_length_c 16.36139454
_cell_angle_alpha 81.24794759999999
_cell_angle_beta 81.24794681
_cell_angle_gamma 59.99999743
_space_group_name_H... | data_image0
_chemical_formula_structural Nd4Ni11
_chemical_formula_sum "Nd4 Ni11"
_cell_length_a 4.97905961
_cell_length_b 4.97906
_cell_length_c 16.36139454
_cell_angle_alpha 81.24794759999999
_cell_angle_beta 81.24794681
_cell_angle_gamma 59.99999743
_space_group_name_H... |
DeleteAroundAtomAction | 5f4c271b-bbf3-473c-b190-8063d8530fb6 | mp-1212483 | Delete all atoms within 1.721 angstrom around the atom at index 27 in the cif file. | data_image0
_chemical_formula_structural Hg16P4H4N4O28
_chemical_formula_sum "Hg16 P4 H4 N4 O28"
_cell_length_a 6.12443421
_cell_length_b 8.318202
_cell_length_c 19.35441814
_cell_angle_alpha 90.0
_cell_angle_beta 91.12338898
_cell_angle_gamma 90.0
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural Hg16P4H4N3O25
_chemical_formula_sum "Hg16 P4 H4 N3 O25"
_cell_length_a 6.12443421
_cell_length_b 8.318202
_cell_length_c 19.35441814
_cell_angle_alpha 90.0
_cell_angle_beta 91.12338898
_cell_angle_gamma 90.0
_space_group_name_H-M_a... |
DeleteAroundAtomAction | 5ce310c7-2bd8-410c-883f-846b29ef76e5 | mp-1193413 | Delete all atoms within 2.679 angstrom around the atom at index 17 in the cif file. | data_image0
_chemical_formula_structural Sc2H6C6O12
_chemical_formula_sum "Sc2 H6 C6 O12"
_cell_length_a 7.24803859
_cell_length_b 7.24803859
_cell_length_c 7.24803788
_cell_angle_alpha 103.80513496000002
_cell_angle_beta 103.80513496000002
_cell_angle_gamma 103.8051398
_... | data_image0
_chemical_formula_structural ScH5C5O10
_chemical_formula_sum "Sc1 H5 C5 O10"
_cell_length_a 7.24803859
_cell_length_b 7.24803859
_cell_length_c 7.24803788
_cell_angle_alpha 103.80513496000002
_cell_angle_beta 103.80513496000002
_cell_angle_gamma 103.8051398
_s... |
DeleteAroundAtomAction | d64ab192-36bf-4a0d-8a8d-f6a0036bf586 | mp-1288374 | Delete all atoms within 3.793 angstrom around the atom at index 15 in the cif file. | data_image0
_chemical_formula_structural Li2V6O8
_chemical_formula_sum "Li2 V6 O8"
_cell_length_a 5.29613539
_cell_length_b 6.036295529999999
_cell_length_c 5.30003472
_cell_angle_alpha 89.99997619
_cell_angle_beta 110.55590711999999
_cell_angle_gamma 89.99976383
_space_g... | data_image0
_chemical_formula_structural O
_chemical_formula_sum "O1"
_cell_length_a 5.29613539
_cell_length_b 6.036295529999999
_cell_length_c 5.30003472
_cell_angle_alpha 89.99997619
_cell_angle_beta 110.55590711999999
_cell_angle_gamma 89.99976383
_space_group_name_H-M... |
DeleteAroundAtomAction | 5c7d2fa9-9e08-4661-825a-56fddb909f27 | mp-1188903 | Delete all atoms within 2.679 angstrom around the atom at index 2 in the cif file. | data_image0
_chemical_formula_structural Pt2Cl8O10
_chemical_formula_sum "Pt2 Cl8 O10"
_cell_length_a 6.72995708
_cell_length_b 6.72995708
_cell_length_c 11.18924611
_cell_angle_alpha 86.88463148
_cell_angle_beta 86.88463148
_cell_angle_gamma 106.93266609
_space_group_nam... | data_image0
_chemical_formula_structural PtCl7O10
_chemical_formula_sum "Pt1 Cl7 O10"
_cell_length_a 6.72995708
_cell_length_b 6.72995708
_cell_length_c 11.18924611
_cell_angle_alpha 86.88463148
_cell_angle_beta 86.88463148
_cell_angle_gamma 106.93266609
_space_group_name... |
DeleteAroundAtomAction | 19897ac3-2c51-451c-9e89-8820ae82dc75 | mp-1078939 | Delete all atoms within 2.025 angstrom around the atom at index 1 in the cif file. | data_image0
_chemical_formula_structural Mn2N2F6
_chemical_formula_sum "Mn2 N2 F6"
_cell_length_a 3.93874
_cell_length_b 5.671741
_cell_length_c 5.717897
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_group_IT... | data_image0
_chemical_formula_structural MnN2F3
_chemical_formula_sum "Mn1 N2 F3"
_cell_length_a 3.93874
_cell_length_b 5.671741
_cell_length_c 5.717897
_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_... |
DeleteAroundAtomAction | 9713c339-ae29-4b1a-8d8c-9d67b214515b | mp-1220278 | Delete all atoms within 2.821 angstrom around the atom at index 5 in the cif file. | data_image0
_chemical_formula_structural Nd4Fe4Co12B3C
_chemical_formula_sum "Nd4 Fe4 Co12 B3 C1"
_cell_length_a 5.11753671
_cell_length_b 5.11753671
_cell_length_c 13.469371
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000916999998
_space_group_na... | data_image0
_chemical_formula_structural Nd4Fe3Co6B3C
_chemical_formula_sum "Nd4 Fe3 Co6 B3 C1"
_cell_length_a 5.11753671
_cell_length_b 5.11753671
_cell_length_c 13.469371
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000916999998
_space_group_name... |
DeleteAroundAtomAction | 9f77dbba-071c-486e-8f42-f2229b4f38eb | mp-759506 | Delete all atoms within 1.745 angstrom around the atom at index 30 in the cif file. | data_image0
_chemical_formula_structural Li4V2Cr2P8O28
_chemical_formula_sum "Li4 V2 Cr2 P8 O28"
_cell_length_a 9.54961884
_cell_length_b 9.54903466
_cell_length_c 7.01796071
_cell_angle_alpha 99.44046031
_cell_angle_beta 99.45246676999999
_cell_angle_gamma 118.72051267
_... | data_image0
_chemical_formula_structural Li4V2Cr2P7O27
_chemical_formula_sum "Li4 V2 Cr2 P7 O27"
_cell_length_a 9.54961884
_cell_length_b 9.54903466
_cell_length_c 7.01796071
_cell_angle_alpha 99.44046031
_cell_angle_beta 99.45246676999999
_cell_angle_gamma 118.72051267
_... |
DeleteAroundAtomAction | 192f966b-295c-40f7-8424-d4413e0aab05 | mp-1305999 | Delete all atoms within 3.753 angstrom around the atom at index 15 in the cif file. | data_image0
_chemical_formula_structural Li3TiNi4O8
_chemical_formula_sum "Li3 Ti1 Ni4 O8"
_cell_length_a 5.89780767
_cell_length_b 5.90359853
_cell_length_c 5.91950147
_cell_angle_alpha 119.91030386999999
_cell_angle_beta 59.75634118
_cell_angle_gamma 90.45492733999998
_... | data_image0
_chemical_formula_structural O
_chemical_formula_sum "O1"
_cell_length_a 5.89780767
_cell_length_b 5.90359853
_cell_length_c 5.91950147
_cell_angle_alpha 119.91030386999999
_cell_angle_beta 59.75634118
_cell_angle_gamma 90.45492733999998
_space_group_name_H-M_... |
DeleteAroundAtomAction | 20a0f60a-b5be-4374-9b15-012fb3da10b3 | mp-27868 | Delete all atoms within 2.755 angstrom around the atom at index 2 in the cif file. | data_image0
_chemical_formula_structural V2N2Cl8
_chemical_formula_sum "V2 N2 Cl8"
_cell_length_a 5.997518
_cell_length_b 7.67355423
_cell_length_c 8.21960348
_cell_angle_alpha 108.13733024
_cell_angle_beta 93.89048598
_cell_angle_gamma 112.8321924
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural VNCl7
_chemical_formula_sum "V1 N1 Cl7"
_cell_length_a 5.997518
_cell_length_b 7.67355423
_cell_length_c 8.21960348
_cell_angle_alpha 108.13733024
_cell_angle_beta 93.89048598
_cell_angle_gamma 112.8321924
_space_group_name_H-M_alt... |
DeleteAroundAtomAction | 467616ba-3cb1-46a5-8919-05e2d1526495 | mp-1224356 | Delete all atoms within 3.897 angstrom around the atom at index 9 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 Ge2Te4
_chemical_formula_sum "Ge2 Te4"
_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 22.2626521000... |
DeleteAroundAtomAction | dee59e5d-1005-4790-a8a1-98cf49f68981 | mp-756136 | Delete all atoms within 3.271 angstrom around the atom at index 22 in the cif file. | data_image0
_chemical_formula_structural Ca4Pb4I16
_chemical_formula_sum "Ca4 Pb4 I16"
_cell_length_a 7.828612
_cell_length_b 9.521077
_cell_length_c 17.60842554
_cell_angle_alpha 60.66186524
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural Ca3Pb4I15
_chemical_formula_sum "Ca3 Pb4 I15"
_cell_length_a 7.828612
_cell_length_b 9.521077
_cell_length_c 17.60842554
_cell_angle_alpha 60.66186524
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... |
DeleteAroundAtomAction | 24ffc36c-bf11-4b45-aa42-a14f4887ecf6 | mp-849219 | Delete all atoms within 2.506 angstrom around the atom at index 4 in the cif file. | data_image0
_chemical_formula_structural V6O8F4
_chemical_formula_sum "V6 O8 F4"
_cell_length_a 10.46643444
_cell_length_b 10.466434439999999
_cell_length_c 3.065376
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 143.4460713
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural V5O5F3
_chemical_formula_sum "V5 O5 F3"
_cell_length_a 10.46643444
_cell_length_b 10.466434439999999
_cell_length_c 3.065376
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 143.4460713
_space_group_name_H-M_alt "P... |
DeleteAroundAtomAction | 76d8f221-c69c-4122-a605-c0c0018101b1 | mp-7492 | Delete all atoms within 2.929 angstrom around the atom at index 2 in the cif file. | data_image0
_chemical_formula_structural La2B2O6
_chemical_formula_sum "La2 B2 O6"
_cell_length_a 4.17942406
_cell_length_b 5.08865142
_cell_length_c 6.314355319999999
_cell_angle_alpha 90.0
_cell_angle_beta 107.68584388
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural La2BO3
_chemical_formula_sum "La2 B1 O3"
_cell_length_a 4.17942406
_cell_length_b 5.08865142
_cell_length_c 6.314355319999999
_cell_angle_alpha 90.0
_cell_angle_beta 107.68584388
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
DeleteAroundAtomAction | 2c6f06d0-53de-40dc-abbe-458d6c34f709 | mp-1233403 | Delete all atoms within 3.416 angstrom around the atom at index 22 in the cif file. | data_image0
_chemical_formula_structural Ba2MgNb6N2O14
_chemical_formula_sum "Ba2 Mg1 Nb6 N2 O14"
_cell_length_a 9.27368937
_cell_length_b 10.90484996
_cell_length_c 3.96856148
_cell_angle_alpha 79.41574678
_cell_angle_beta 90.01147866
_cell_angle_gamma 89.15679119999999
... | data_image0
_chemical_formula_structural BaMgNb4NO8
_chemical_formula_sum "Ba1 Mg1 Nb4 N1 O8"
_cell_length_a 9.27368937
_cell_length_b 10.90484996
_cell_length_c 3.96856148
_cell_angle_alpha 79.41574678
_cell_angle_beta 90.01147866
_cell_angle_gamma 89.15679119999999
_spa... |
DeleteAroundAtomAction | f3772b2d-b60b-4ab5-bc8f-8cf30ec7bb84 | mp-1223484 | Delete all atoms within 3.055 angstrom around the atom at index 36 in the cif file. | data_image0
_chemical_formula_structural K2V6Pb8O24
_chemical_formula_sum "K2 V6 Pb8 O24"
_cell_length_a 10.34517358
_cell_length_b 10.34517358
_cell_length_c 7.540297
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999727999999
_space_group_name_H-M_... | data_image0
_chemical_formula_structural KV5Pb6O19
_chemical_formula_sum "K1 V5 Pb6 O19"
_cell_length_a 10.34517358
_cell_length_b 10.34517358
_cell_length_c 7.540297
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999727999999
_space_group_name_H-M_a... |
DeleteAroundAtomAction | 0def1614-48ae-4c81-86b9-2de25d5e8886 | mp-2452 | Delete all atoms within 1.912 angstrom around the atom at index 5 in the cif file. | data_image0
_chemical_formula_structural P4O10
_chemical_formula_sum "P4 O10"
_cell_length_a 4.83501677
_cell_length_b 4.83501534
_cell_length_c 8.56186796
_cell_angle_alpha 99.5390988
_cell_angle_beta 99.53909892000001
_cell_angle_gamma 114.39856376
_space_group_name_H-M... | data_image0
_chemical_formula_structural P3O9
_chemical_formula_sum "P3 O9"
_cell_length_a 4.83501677
_cell_length_b 4.83501534
_cell_length_c 8.56186796
_cell_angle_alpha 99.5390988
_cell_angle_beta 99.53909892000001
_cell_angle_gamma 114.39856376
_space_group_name_H-M_a... |
DeleteAroundAtomAction | a260d58b-91db-44f1-97ec-044aec609415 | mp-29817 | Delete all atoms within 3.747 angstrom around the atom at index 23 in the cif file. | data_image0
_chemical_formula_structural Ga8P16I72
_chemical_formula_sum "Ga8 P16 I72"
_cell_length_a 11.478636
_cell_length_b 18.887677
_cell_length_c 21.713497
_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 Ga8P14I69
_chemical_formula_sum "Ga8 P14 I69"
_cell_length_a 11.478636
_cell_length_b 18.887677
_cell_length_c 21.713497
_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 | a88399cb-5a9b-469d-81c2-3e0e88f4127a | mp-777466 | Delete all atoms within 3.078 angstrom around the atom at index 45 in the cif file. | data_image0
_chemical_formula_structural Li16Fe8F32
_chemical_formula_sum "Li16 Fe8 F32"
_cell_length_a 9.65245569
_cell_length_b 9.65245569
_cell_length_c 9.65245569
_cell_angle_alpha 100.8440097
_cell_angle_beta 100.8440097
_cell_angle_gamma 128.58892083
_space_group_na... | data_image0
_chemical_formula_structural Li14Fe5F24
_chemical_formula_sum "Li14 Fe5 F24"
_cell_length_a 9.65245569
_cell_length_b 9.65245569
_cell_length_c 9.65245569
_cell_angle_alpha 100.8440097
_cell_angle_beta 100.8440097
_cell_angle_gamma 128.58892083
_space_group_na... |
DeleteAroundAtomAction | 4f24d62a-2537-4f08-a5a2-1251e14d4bf4 | mp-770799 | Delete all atoms within 3.578 angstrom around the atom at index 16 in the cif file. | data_image0
_chemical_formula_structural Li10Nb2O10
_chemical_formula_sum "Li10 Nb2 O10"
_cell_length_a 5.5080777
_cell_length_b 5.5080777
_cell_length_c 9.09201674
_cell_angle_alpha 82.46835197999998
_cell_angle_beta 82.46835197999998
_cell_angle_gamma 117.03627155
_spac... | data_image0
_chemical_formula_structural Li5NbO3
_chemical_formula_sum "Li5 Nb1 O3"
_cell_length_a 5.5080777
_cell_length_b 5.5080777
_cell_length_c 9.09201674
_cell_angle_alpha 82.46835197999998
_cell_angle_beta 82.46835197999998
_cell_angle_gamma 117.03627155
_space_gro... |
DeleteAroundAtomAction | f207dda5-f7ee-413a-ba79-583b537d3f49 | mp-1218785 | Delete all atoms within 3.214 angstrom around the atom at index 32 in the cif file. | data_image0
_chemical_formula_structural Sr8Ca3NdTl2Cu8Pb2O28
_chemical_formula_sum "Sr8 Ca3 Nd1 Tl2 Cu8 Pb2 O28"
_cell_length_a 13.3986122
_cell_length_b 13.39814014
_cell_length_c 7.618955399999999
_cell_angle_alpha 73.48496824000001
_cell_angle_beta 73.47816135
_cell_angle... | data_image0
_chemical_formula_structural Sr6Ca3NdCu8O27
_chemical_formula_sum "Sr6 Ca3 Nd1 Cu8 O27"
_cell_length_a 13.3986122
_cell_length_b 13.39814014
_cell_length_c 7.618955399999999
_cell_angle_alpha 73.48496824000001
_cell_angle_beta 73.47816135
_cell_angle_gamma 33.0... |
DeleteAroundAtomAction | d8f06f14-e1ed-4a0d-b6f3-bc2b949394ba | mp-1110792 | Delete all atoms within 3.188 angstrom around the atom at index 6 in the cif file. | data_image0
_chemical_formula_structural Na3InCl6
_chemical_formula_sum "Na3 In1 Cl6"
_cell_length_a 7.37474189
_cell_length_b 7.37474189
_cell_length_c 7.374741889999999
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.99999999... | data_image0
_chemical_formula_structural Na2Cl5
_chemical_formula_sum "Na2 Cl5"
_cell_length_a 7.37474189
_cell_length_b 7.37474189
_cell_length_c 7.374741889999999
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.99999999999999... |
DeleteAroundAtomAction | 2c82fae7-d794-4029-b9aa-3571df839109 | mp-1221912 | Delete all atoms within 3.422 angstrom around the atom at index 11 in the cif file. | data_image0
_chemical_formula_structural Mn2CrGa3S8
_chemical_formula_sum "Mn2 Cr1 Ga3 S8"
_cell_length_a 12.591627
_cell_length_b 12.591627
_cell_length_c 6.476595429999999
_cell_angle_alpha 85.14436659
_cell_angle_beta 85.14436659
_cell_angle_gamma 16.866044550000005
_s... | data_image0
_chemical_formula_structural Mn2CrS5
_chemical_formula_sum "Mn2 Cr1 S5"
_cell_length_a 12.591627
_cell_length_b 12.591627
_cell_length_c 6.476595429999999
_cell_angle_alpha 85.14436659
_cell_angle_beta 85.14436659
_cell_angle_gamma 16.866044550000005
_space_gr... |
DeleteAroundAtomAction | fe01a960-8251-40a6-92d7-ee5750e6cdfb | mp-2884 | Delete all atoms within 3.236 angstrom around the atom at index 15 in the cif file. | data_image0
_chemical_formula_structural Cs4Mn6S8
_chemical_formula_sum "Cs4 Mn6 S8"
_cell_length_a 6.08330977
_cell_length_b 9.652656439999998
_cell_length_c 9.65265607
_cell_angle_alpha 73.9593348
_cell_angle_beta 71.63250836
_cell_angle_gamma 71.63250777
_space_group_n... | data_image0
_chemical_formula_structural Cs4Mn3S7
_chemical_formula_sum "Cs4 Mn3 S7"
_cell_length_a 6.08330977
_cell_length_b 9.652656439999998
_cell_length_c 9.65265607
_cell_angle_alpha 73.9593348
_cell_angle_beta 71.63250836
_cell_angle_gamma 71.63250777
_space_group_n... |
DeleteAroundAtomAction | 181bba94-b66e-4fb9-8640-c551b679696c | mp-558545 | Delete all atoms within 1.707 angstrom around the atom at index 11 in the cif file. | data_image0
_chemical_formula_structural C8S4N12Cl12
_chemical_formula_sum "C8 S4 N12 Cl12"
_cell_length_a 7.765921
_cell_length_b 8.326056
_cell_length_c 12.57591833
_cell_angle_alpha 84.22908205
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural C8S3N10Cl12
_chemical_formula_sum "C8 S3 N10 Cl12"
_cell_length_a 7.765921
_cell_length_b 8.326056
_cell_length_c 12.57591833
_cell_angle_alpha 84.22908205
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... |
DeleteAroundAtomAction | 51e697c7-93ec-43ab-b780-f04bd151cd92 | mp-705680 | Delete all atoms within 2.329 angstrom around the atom at index 22 in the cif file. | data_image0
_chemical_formula_structural La4Mo4O18
_chemical_formula_sum "La4 Mo4 O18"
_cell_length_a 7.270955
_cell_length_b 7.289629140000001
_cell_length_c 7.34939515
_cell_angle_alpha 89.47068859
_cell_angle_beta 88.35481316000002
_cell_angle_gamma 87.76302988999998
_... | data_image0
_chemical_formula_structural La4Mo3O17
_chemical_formula_sum "La4 Mo3 O17"
_cell_length_a 7.270955
_cell_length_b 7.289629140000001
_cell_length_c 7.34939515
_cell_angle_alpha 89.47068859
_cell_angle_beta 88.35481316000002
_cell_angle_gamma 87.76302988999998
_... |
DeleteAroundAtomAction | f7381dcf-7084-4ab5-a1a9-813a3962d361 | mp-25284 | Delete all atoms within 3.904 angstrom around the atom at index 5 in the cif file. | data_image0
_chemical_formula_structural Li2Mn4Ni2O12
_chemical_formula_sum "Li2 Mn4 Ni2 O12"
_cell_length_a 5.04900018
_cell_length_b 5.04906524
_cell_length_c 10.42357366
_cell_angle_alpha 86.33280131
_cell_angle_beta 93.66216847
_cell_angle_gamma 120.76071514
_space_gr... | data_image0
_chemical_formula_structural Mn2NiO6
_chemical_formula_sum "Mn2 Ni1 O6"
_cell_length_a 5.04900018
_cell_length_b 5.04906524
_cell_length_c 10.42357366
_cell_angle_alpha 86.33280131
_cell_angle_beta 93.66216847
_cell_angle_gamma 120.76071514
_space_group_name_H... |
DeleteAroundAtomAction | d29f49a9-c8e2-4147-9c69-ac69e2969df0 | mp-643263 | Delete all atoms within 2.232 angstrom around the atom at index 9 in the cif file. | data_image0
_chemical_formula_structural Na3VH6O7
_chemical_formula_sum "Na3 V1 H6 O7"
_cell_length_a 5.58858274
_cell_length_b 5.58858274
_cell_length_c 5.588582330000001
_cell_angle_alpha 100.00373742
_cell_angle_beta 100.00373742
_cell_angle_gamma 100.00374030000002
_s... | data_image0
_chemical_formula_structural Na3VH3O5
_chemical_formula_sum "Na3 V1 H3 O5"
_cell_length_a 5.58858274
_cell_length_b 5.58858274
_cell_length_c 5.588582330000001
_cell_angle_alpha 100.00373742
_cell_angle_beta 100.00373742
_cell_angle_gamma 100.00374030000002
_s... |
DeleteAroundAtomAction | 89ec870b-7b53-4f51-8850-22b64869d34b | mp-697170 | Delete all atoms within 2.349 angstrom around the atom at index 13 in the cif file. | data_image0
_chemical_formula_structural Mg4H24Br8N8
_chemical_formula_sum "Mg4 H24 Br8 N8"
_cell_length_a 6.012089
_cell_length_b 8.046786
_cell_length_c 12.006075
_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 Mg4H21Br8N7
_chemical_formula_sum "Mg4 H21 Br8 N7"
_cell_length_a 6.012089
_cell_length_b 8.046786
_cell_length_c 12.006075
_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 | ca11f07d-b785-4b64-80df-a8e258302327 | mp-1193845 | Delete all atoms within 3.876 angstrom around the atom at index 28 in the cif file. | data_image0
_chemical_formula_structural Ho6Al7Cu16
_chemical_formula_sum "Ho6 Al7 Cu16"
_cell_length_a 8.70515623
_cell_length_b 8.70515623
_cell_length_c 8.70515623
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999... | data_image0
_chemical_formula_structural Ho3Al4Cu9
_chemical_formula_sum "Ho3 Al4 Cu9"
_cell_length_a 8.70515623
_cell_length_b 8.70515623
_cell_length_c 8.70515623
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
... |
DeleteAroundAtomAction | f61e3d52-a901-4670-8eca-832a08416346 | mp-1106174 | Delete all atoms within 3.753 angstrom around the atom at index 16 in the cif file. | data_image0
_chemical_formula_structural Tb14Rh6
_chemical_formula_sum "Tb14 Rh6"
_cell_length_a 6.19766051
_cell_length_b 9.79902498
_cell_length_c 9.798996650000001
_cell_angle_alpha 120.00022491999995
_cell_angle_beta 90.00107083000002
_cell_angle_gamma 90.00095888
_sp... | data_image0
_chemical_formula_structural Tb6Rh5
_chemical_formula_sum "Tb6 Rh5"
_cell_length_a 6.19766051
_cell_length_b 9.79902498
_cell_length_c 9.798996650000001
_cell_angle_alpha 120.00022491999995
_cell_angle_beta 90.00107083000002
_cell_angle_gamma 90.00095888
_spac... |
DeleteAroundAtomAction | c5b56588-1acd-45a0-830c-da07ae7895ca | mp-16431 | Delete all atoms within 3.753 angstrom around the atom at index 4 in the cif file. | data_image0
_chemical_formula_structural NdFe4P12
_chemical_formula_sum "Nd1 Fe4 P12"
_cell_length_a 6.73505209
_cell_length_b 6.73505184
_cell_length_c 6.73505201
_cell_angle_alpha 109.47122118
_cell_angle_beta 109.47122044
_cell_angle_gamma 109.47122162
_space_group_nam... | data_image0
_chemical_formula_structural Fe3
_chemical_formula_sum "Fe3"
_cell_length_a 6.73505209
_cell_length_b 6.73505184
_cell_length_c 6.73505201
_cell_angle_alpha 109.47122118
_cell_angle_beta 109.47122044
_cell_angle_gamma 109.47122162
_space_group_name_H-M_alt ... |
DeleteAroundAtomAction | ae381ef8-2041-4692-ad5b-d7f86936c384 | mp-1236250 | Delete all atoms within 2.109 angstrom around the atom at index 14 in the cif file. | data_image0
_chemical_formula_structural LiCo5SbO8
_chemical_formula_sum "Li1 Co5 Sb1 O8"
_cell_length_a 6.32081318
_cell_length_b 5.95944951
_cell_length_c 5.958533000000001
_cell_angle_alpha 60.00407588000001
_cell_angle_beta 61.87965133
_cell_angle_gamma 61.95931534
_s... | data_image0
_chemical_formula_structural LiCo4O7
_chemical_formula_sum "Li1 Co4 O7"
_cell_length_a 6.32081318
_cell_length_b 5.95944951
_cell_length_c 5.958533000000001
_cell_angle_alpha 60.00407588000001
_cell_angle_beta 61.87965133
_cell_angle_gamma 61.95931534
_space_g... |
DeleteAroundAtomAction | 401439af-5088-4872-a1ef-1b63d8677274 | mp-675818 | Delete all atoms within 2.987 angstrom around the atom at index 4 in the cif file. | data_image0
_chemical_formula_structural Li11TiAs5
_chemical_formula_sum "Li11 Ti1 As5"
_cell_length_a 7.42247606
_cell_length_b 7.42247606
_cell_length_c 10.601601099999998
_cell_angle_alpha 63.42659419999999
_cell_angle_beta 63.42659419999999
_cell_angle_gamma 33.2593039... | data_image0
_chemical_formula_structural Li9TiAs2
_chemical_formula_sum "Li9 Ti1 As2"
_cell_length_a 7.42247606
_cell_length_b 7.42247606
_cell_length_c 10.601601099999998
_cell_angle_alpha 63.42659419999999
_cell_angle_beta 63.42659419999999
_cell_angle_gamma 33.259303909... |
DeleteAroundAtomAction | f091c96a-15bc-40b8-b65b-19272042e4cd | mp-1043721 | Delete all atoms within 3.299 angstrom around the atom at index 23 in the cif file. | data_image0
_chemical_formula_structural Mg4Sn4Bi4O20
_chemical_formula_sum "Mg4 Sn4 Bi4 O20"
_cell_length_a 11.054845
_cell_length_b 5.442748
_cell_length_c 8.7199251
_cell_angle_alpha 68.83335382
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Mg3Sn2Bi3O14
_chemical_formula_sum "Mg3 Sn2 Bi3 O14"
_cell_length_a 11.054845
_cell_length_b 5.442748
_cell_length_c 8.7199251
_cell_angle_alpha 68.83335382
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
DeleteAroundAtomAction | 4f301a94-7cc1-4e06-b571-ccb76de21fba | mp-1180529 | Delete all atoms within 3.632 angstrom around the atom at index 2 in the cif file. | data_image0
_chemical_formula_structural Li4Mn4P4O20
_chemical_formula_sum "Li4 Mn4 P4 O20"
_cell_length_a 5.17989019
_cell_length_b 6.93803572
_cell_length_c 10.275966780000001
_cell_angle_alpha 76.82840957
_cell_angle_beta 98.12029334000002
_cell_angle_gamma 72.52584848
... | data_image0
_chemical_formula_structural Li2MnP2O11
_chemical_formula_sum "Li2 Mn1 P2 O11"
_cell_length_a 5.17989019
_cell_length_b 6.93803572
_cell_length_c 10.275966780000001
_cell_angle_alpha 76.82840957
_cell_angle_beta 98.12029334000002
_cell_angle_gamma 72.52584848
... |
DeleteAroundAtomAction | 28cfb9e1-5243-4520-a41b-46579a6f2cad | mp-1226424 | Delete all atoms within 2.194 angstrom around the atom at index 25 in the cif file. | data_image0
_chemical_formula_structural Cs6Er10P12S48
_chemical_formula_sum "Cs6 Er10 P12 S48"
_cell_length_a 10.39362307
_cell_length_b 10.39362307
_cell_length_c 20.86577793
_cell_angle_alpha 79.67882168
_cell_angle_beta 79.67882168
_cell_angle_gamma 77.98851011
_space... | data_image0
_chemical_formula_structural Cs6Er10P11S44
_chemical_formula_sum "Cs6 Er10 P11 S44"
_cell_length_a 10.39362307
_cell_length_b 10.39362307
_cell_length_c 20.86577793
_cell_angle_alpha 79.67882168
_cell_angle_beta 79.67882168
_cell_angle_gamma 77.98851011
_space... |
DeleteAroundAtomAction | b2b10b77-fcdb-409d-8db5-4013c754035c | mp-766117 | Delete all atoms within 3.361 angstrom around the atom at index 8 in the cif file. | data_image0
_chemical_formula_structural Sn16N16O8
_chemical_formula_sum "Sn16 N16 O8"
_cell_length_a 8.851814
_cell_length_b 8.8536901
_cell_length_c 8.85845561
_cell_angle_alpha 109.55405563999999
_cell_angle_beta 109.51343367000001
_cell_angle_gamma 109.21073575
_space... | data_image0
_chemical_formula_structural Sn11N11O7
_chemical_formula_sum "Sn11 N11 O7"
_cell_length_a 8.851814
_cell_length_b 8.8536901
_cell_length_c 8.85845561
_cell_angle_alpha 109.55405563999999
_cell_angle_beta 109.51343367000001
_cell_angle_gamma 109.21073575
_space... |
DeleteAroundAtomAction | 65e9244b-7ed5-4a7b-96a0-8709a9d176ab | mp-1189274 | Delete all atoms within 3.64 angstrom around the atom at index 0 in the cif file. | data_image0
_chemical_formula_structural Er12Ru4
_chemical_formula_sum "Er12 Ru4"
_cell_length_a 6.236655
_cell_length_b 7.272444
_cell_length_c 9.101117
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_group_IT... | data_image0
_chemical_formula_structural Er5Ru
_chemical_formula_sum "Er5 Ru1"
_cell_length_a 6.236655
_cell_length_b 7.272444
_cell_length_c 9.101117
_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 | 3eedaf18-1006-4b24-8159-1a30bb3f47a0 | mp-29957 | Delete all atoms within 3.843 angstrom around the atom at index 10 in the cif file. | data_image0
_chemical_formula_structural Zr15Te18
_chemical_formula_sum "Zr15 Te18"
_cell_length_a 11.82219029
_cell_length_b 11.822189119999999
_cell_length_c 7.14790746
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999442
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Zr10Te12
_chemical_formula_sum "Zr10 Te12"
_cell_length_a 11.82219029
_cell_length_b 11.822189119999999
_cell_length_c 7.14790746
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999442
_space_group_name_H-M_alt... |
DeleteAroundAtomAction | 224be0d7-51dc-43fc-b144-8ef6388f9ddc | mp-1102040 | Delete all atoms within 3.843 angstrom around the atom at index 1 in the cif file. | data_image0
_chemical_formula_structural Ca4Sn4Pt4
_chemical_formula_sum "Ca4 Sn4 Pt4"
_cell_length_a 4.62387607
_cell_length_b 7.37953147
_cell_length_c 7.90536517
_cell_angle_alpha 90.00431855
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Ca
_chemical_formula_sum "Ca1"
_cell_length_a 4.62387607
_cell_length_b 7.37953147
_cell_length_c 7.90536517
_cell_angle_alpha 90.00431855
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_group... |
DeleteAroundAtomAction | 7708208a-ea70-465f-9f6a-c63cdcaa3ec7 | mp-1220018 | Delete all atoms within 2.864 angstrom around the atom at index 17 in the cif file. | data_image0
_chemical_formula_structural Pr2Mn17C2
_chemical_formula_sum "Pr2 Mn17 C2"
_cell_length_a 6.50467078
_cell_length_b 6.504670779999999
_cell_length_c 6.48206035
_cell_angle_alpha 83.62653849000002
_cell_angle_beta 83.62653849000002
_cell_angle_gamma 84.31488702
... | data_image0
_chemical_formula_structural Pr2Mn3C2
_chemical_formula_sum "Pr2 Mn3 C2"
_cell_length_a 6.50467078
_cell_length_b 6.504670779999999
_cell_length_c 6.48206035
_cell_angle_alpha 83.62653849000002
_cell_angle_beta 83.62653849000002
_cell_angle_gamma 84.31488702
_... |
DeleteAroundAtomAction | 5a0f78e2-610a-4a26-bc3c-9d62d195566a | mp-1228744 | Delete all atoms within 2.437 angstrom around the atom at index 10 in the cif file. | data_image0
_chemical_formula_structural Ba6V8P12O48
_chemical_formula_sum "Ba6 V8 P12 O48"
_cell_length_a 10.082441
_cell_length_b 10.050738
_cell_length_c 10.07723152
_cell_angle_alpha 89.82967992
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ba6V7P12O42
_chemical_formula_sum "Ba6 V7 P12 O42"
_cell_length_a 10.082441
_cell_length_b 10.050738
_cell_length_c 10.07723152
_cell_angle_alpha 89.82967992
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
DeleteAroundAtomAction | 38f5cea2-8c69-4474-94ea-509631946ec6 | mp-760194 | Delete all atoms within 3.752 angstrom around the atom at index 23 in the cif file. | data_image0
_chemical_formula_structural Li8V8F48
_chemical_formula_sum "Li8 V8 F48"
_cell_length_a 9.38823
_cell_length_b 9.211635
_cell_length_c 15.62011393
_cell_angle_alpha 54.25570067999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Li7V7F38
_chemical_formula_sum "Li7 V7 F38"
_cell_length_a 9.38823
_cell_length_b 9.211635
_cell_length_c 15.62011393
_cell_angle_alpha 54.25570067999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
DeleteAroundAtomAction | bddc1ff2-087d-4a23-a3a4-a3c9616f5e88 | mp-1181679 | Delete all atoms within 2.813 angstrom around the atom at index 52 in the cif file. | data_image0
_chemical_formula_structural Ga8Si8C32N8
_chemical_formula_sum "Ga8 Si8 C32 N8"
_cell_length_a 10.01110904
_cell_length_b 10.01110904
_cell_length_c 16.697649989999995
_cell_angle_alpha 71.56542631999999
_cell_angle_beta 71.56542631999999
_cell_angle_gamma 58.4... | data_image0
_chemical_formula_structural Ga5Si7C32N6
_chemical_formula_sum "Ga5 Si7 C32 N6"
_cell_length_a 10.01110904
_cell_length_b 10.01110904
_cell_length_c 16.697649989999995
_cell_angle_alpha 71.56542631999999
_cell_angle_beta 71.56542631999999
_cell_angle_gamma 58.4... |
DeleteAroundAtomAction | 024d2023-58f0-4341-ac99-28ac7f70d27b | mp-1101024 | Delete all atoms within 2.151 angstrom around the atom at index 9 in the cif file. | data_image0
_chemical_formula_structural Ti4Zn8O16
_chemical_formula_sum "Ti4 Zn8 O16"
_cell_length_a 6.074403
_cell_length_b 6.074403
_cell_length_c 12.834414
_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 Ti4Zn7O12
_chemical_formula_sum "Ti4 Zn7 O12"
_cell_length_a 6.074403
_cell_length_b 6.074403
_cell_length_c 12.834414
_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 | f43123a4-f177-4767-8352-29e6e6584c0a | mp-1518110 | Delete all atoms within 2.117 angstrom around the atom at index 4 in the cif file. | data_image0
_chemical_formula_structural SrEuYCoO6
_chemical_formula_sum "Sr1 Eu1 Y1 Co1 O6"
_cell_length_a 5.70085714
_cell_length_b 5.70085714
_cell_length_c 5.700857139999999
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.99... | data_image0
_chemical_formula_structural SrEuYO5
_chemical_formula_sum "Sr1 Eu1 Y1 O5"
_cell_length_a 5.70085714
_cell_length_b 5.70085714
_cell_length_c 5.700857139999999
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.99999999... |
DeleteAroundAtomAction | 8f712b59-9e88-44a8-92f9-32140de8825c | mp-770874 | Delete all atoms within 2.737 angstrom around the atom at index 27 in the cif file. | data_image0
_chemical_formula_structural Na12Co4P2C8O32
_chemical_formula_sum "Na12 Co4 P2 C8 O32"
_cell_length_a 9.86786888
_cell_length_b 9.86786888
_cell_length_c 9.86786888
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999... | data_image0
_chemical_formula_structural Na9Co4PC8O28
_chemical_formula_sum "Na9 Co4 P1 C8 O28"
_cell_length_a 9.86786888
_cell_length_b 9.86786888
_cell_length_c 9.86786888
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999999... |
DeleteAroundAtomAction | dac9e148-1177-4027-9142-df09b6728a0f | mp-29082 | Delete all atoms within 3.476 angstrom around the atom at index 8 in the cif file. | data_image0
_chemical_formula_structural Ba10Cr2N10
_chemical_formula_sum "Ba10 Cr2 N10"
_cell_length_a 7.94728499
_cell_length_b 7.947287020000001
_cell_length_c 9.48464346
_cell_angle_alpha 76.21473882
_cell_angle_beta 76.21477560000001
_cell_angle_gamma 96.0779043599999... | data_image0
_chemical_formula_structural Ba9N5
_chemical_formula_sum "Ba9 N5"
_cell_length_a 7.94728499
_cell_length_b 7.947287020000001
_cell_length_c 9.48464346
_cell_angle_alpha 76.21473882
_cell_angle_beta 76.21477560000001
_cell_angle_gamma 96.07790435999999
_space_g... |
DeleteAroundAtomAction | d3109b0f-c1f9-492e-a015-367f36b919b9 | mp-1212423 | Delete all atoms within 3.73 angstrom around the atom at index 11 in the cif file. | data_image0
_chemical_formula_structural Ho12In3Fe2
_chemical_formula_sum "Ho12 In3 Fe2"
_cell_length_a 8.42112116
_cell_length_b 8.42112179
_cell_length_c 8.42111934
_cell_angle_alpha 110.11209296
_cell_angle_beta 110.11212551
_cell_angle_gamma 108.19690694
_space_group_... | data_image0
_chemical_formula_structural Ho3In
_chemical_formula_sum "Ho3 In1"
_cell_length_a 8.42112116
_cell_length_b 8.42112179
_cell_length_c 8.42111934
_cell_angle_alpha 110.11209296
_cell_angle_beta 110.11212551
_cell_angle_gamma 108.19690694
_space_group_name_H-M_a... |
DeleteAroundAtomAction | 856b6336-1bc5-4ce0-ac98-2e3d1758f469 | mp-1201334 | Delete all atoms within 1.748 angstrom around the atom at index 11 in the cif file. | data_image0
_chemical_formula_structural NiH20PdC4N4O12
_chemical_formula_sum "Ni1 H20 Pd1 C4 N4 O12"
_cell_length_a 7.190677
_cell_length_b 7.451019
_cell_length_c 9.12756315
_cell_angle_alpha 65.91067253
_cell_angle_beta 66.80266797
_cell_angle_gamma 90.0
_space_group_n... | data_image0
_chemical_formula_structural NiH17PdC4N3O12
_chemical_formula_sum "Ni1 H17 Pd1 C4 N3 O12"
_cell_length_a 7.190677
_cell_length_b 7.451019
_cell_length_c 9.12756315
_cell_angle_alpha 65.91067253
_cell_angle_beta 66.80266797
_cell_angle_gamma 90.0
_space_group_n... |
DeleteAroundAtomAction | 0f63afca-78bc-4bad-92b8-2e5ce8e8b591 | mp-698325 | Delete all atoms within 3.005 angstrom around the atom at index 15 in the cif file. | data_image0
_chemical_formula_structural Ba4H16C12O24
_chemical_formula_sum "Ba4 H16 C12 O24"
_cell_length_a 10.71447654
_cell_length_b 10.71447654
_cell_length_c 10.71447654
_cell_angle_alpha 96.37232983999999
_cell_angle_beta 96.37232983999999
_cell_angle_gamma 141.07982... | data_image0
_chemical_formula_structural Ba4H13C11O22
_chemical_formula_sum "Ba4 H13 C11 O22"
_cell_length_a 10.71447654
_cell_length_b 10.71447654
_cell_length_c 10.71447654
_cell_angle_alpha 96.37232983999999
_cell_angle_beta 96.37232983999999
_cell_angle_gamma 141.07982... |
DeleteAroundAtomAction | c1e1ed27-e903-48c9-be5b-39e08ef072f4 | mp-1031354 | Delete all atoms within 3.662 angstrom around the atom at index 9 in the cif file. | data_image0
_chemical_formula_structural Mg6TiCO8
_chemical_formula_sum "Mg6 Ti1 C1 O8"
_cell_length_a 9.12217365
_cell_length_b 4.17574505
_cell_length_c 4.17574505
_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 Mg3O2
_chemical_formula_sum "Mg3 O2"
_cell_length_a 9.12217365
_cell_length_b 4.17574505
_cell_length_c 4.17574505
_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 | da13033e-6953-4aa2-92fc-74a32f2216d5 | mp-532718 | Delete all atoms within 3.798 angstrom around the atom at index 47 in the cif file. | data_image0
_chemical_formula_structural Ca6Nd6Mn12O36
_chemical_formula_sum "Ca6 Nd6 Mn12 O36"
_cell_length_a 16.297216
_cell_length_b 5.473793
_cell_length_c 7.702508
_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 Ca5Nd4Mn10O26
_chemical_formula_sum "Ca5 Nd4 Mn10 O26"
_cell_length_a 16.297216
_cell_length_b 5.473793
_cell_length_c 7.702508
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... |
DeleteAroundAtomAction | 8babdbcb-2a3b-4b03-acb7-2226e3416063 | mp-1212504 | Delete all atoms within 2.449 angstrom around the atom at index 38 in the cif file. | data_image0
_chemical_formula_structural Nd8P12H20W4O36
_chemical_formula_sum "Nd8 P12 H20 W4 O36"
_cell_length_a 8.81237
_cell_length_b 9.859124
_cell_length_c 13.547116570000002
_cell_angle_alpha 64.29207759
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name... | data_image0
_chemical_formula_structural Nd8P11H18W3O33
_chemical_formula_sum "Nd8 P11 H18 W3 O33"
_cell_length_a 8.81237
_cell_length_b 9.859124
_cell_length_c 13.547116570000002
_cell_angle_alpha 64.29207759
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name... |
DeleteAroundAtomAction | 9f0903e9-a9a0-4c4c-ba17-1f16e262146d | mp-1194285 | Delete all atoms within 2.868 angstrom around the atom at index 21 in the cif file. | data_image0
_chemical_formula_structural Lu4Mo4Br4O16
_chemical_formula_sum "Lu4 Mo4 Br4 O16"
_cell_length_a 6.937912
_cell_length_b 7.20254013
_cell_length_c 10.77698893
_cell_angle_alpha 102.83320016000002
_cell_angle_beta 107.80925864
_cell_angle_gamma 95.42992557
_spa... | data_image0
_chemical_formula_structural Lu3Mo3Br4O13
_chemical_formula_sum "Lu3 Mo3 Br4 O13"
_cell_length_a 6.937912
_cell_length_b 7.20254013
_cell_length_c 10.77698893
_cell_angle_alpha 102.83320016000002
_cell_angle_beta 107.80925864
_cell_angle_gamma 95.42992557
_spa... |
DeleteAroundAtomAction | e9f5213f-8744-457e-a944-8de88f1d775d | mp-980108 | Delete all atoms within 3.349 angstrom around the atom at index 8 in the cif file. | data_image0
_chemical_formula_structural Sm4Mg2Ir2O12
_chemical_formula_sum "Sm4 Mg2 Ir2 O12"
_cell_length_a 5.760194
_cell_length_b 5.428014
_cell_length_c 9.48535488
_cell_angle_alpha 55.3260366
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural SmMgIrO3
_chemical_formula_sum "Sm1 Mg1 Ir1 O3"
_cell_length_a 5.760194
_cell_length_b 5.428014
_cell_length_c 9.48535488
_cell_angle_alpha 55.3260366
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... |
DeleteAroundAtomAction | 4d5fc3db-8b1f-4a6c-aa84-e99e205b193c | mp-1046973 | Delete all atoms within 3.638 angstrom around the atom at index 9 in the cif file. | data_image0
_chemical_formula_structural Nb4Zn4Ni2O16
_chemical_formula_sum "Nb4 Zn4 Ni2 O16"
_cell_length_a 10.09959759
_cell_length_b 10.09959759
_cell_length_c 5.258447
_cell_angle_alpha 89.67078171
_cell_angle_beta 89.67078171
_cell_angle_gamma 34.15230613
_space_grou... | data_image0
_chemical_formula_structural Zn4O8
_chemical_formula_sum "Zn4 O8"
_cell_length_a 10.09959759
_cell_length_b 10.09959759
_cell_length_c 5.258447
_cell_angle_alpha 89.67078171
_cell_angle_beta 89.67078171
_cell_angle_gamma 34.15230613
_space_group_name_H-M_alt ... |
DeleteAroundAtomAction | 059d829a-cd4b-4309-9809-b892fa3c1a47 | mp-761271 | Delete all atoms within 3.279 angstrom around the atom at index 31 in the cif file. | data_image0
_chemical_formula_structural Li8V4O4F16
_chemical_formula_sum "Li8 V4 O4 F16"
_cell_length_a 5.048083
_cell_length_b 7.22002559
_cell_length_c 10.34605698
_cell_angle_alpha 108.97466729
_cell_angle_beta 89.78271863999998
_cell_angle_gamma 91.13500279
_space_gr... | data_image0
_chemical_formula_structural Li5V3O3F7
_chemical_formula_sum "Li5 V3 O3 F7"
_cell_length_a 5.048083
_cell_length_b 7.22002559
_cell_length_c 10.34605698
_cell_angle_alpha 108.97466729
_cell_angle_beta 89.78271863999998
_cell_angle_gamma 91.13500279
_space_grou... |
DeleteAroundAtomAction | f19b8a43-9ff6-4b28-95e2-ad1ffe33f3a8 | mp-1219571 | Delete all atoms within 2.018 angstrom around the atom at index 3 in the cif file. | data_image0
_chemical_formula_structural Rb2Mg2Cr2F12
_chemical_formula_sum "Rb2 Mg2 Cr2 F12"
_cell_length_a 7.34984894
_cell_length_b 7.34984894
_cell_length_c 7.34984894
_cell_angle_alpha 120.32613441
_cell_angle_beta 120.01187209
_cell_angle_gamma 89.70774276
_space_gr... | data_image0
_chemical_formula_structural Rb2MgCr2F10
_chemical_formula_sum "Rb2 Mg1 Cr2 F10"
_cell_length_a 7.34984894
_cell_length_b 7.34984894
_cell_length_c 7.34984894
_cell_angle_alpha 120.32613441
_cell_angle_beta 120.01187209
_cell_angle_gamma 89.70774276
_space_gro... |
DeleteAroundAtomAction | a54cfc53-7e47-4b94-9d51-73ae5cf3a50b | mp-685281 | Delete all atoms within 3.364 angstrom around the atom at index 0 in the cif file. | data_image0
_chemical_formula_structural TiZnH12O6F6
_chemical_formula_sum "Ti1 Zn1 H12 O6 F6"
_cell_length_a 6.52220492
_cell_length_b 6.52220492
_cell_length_c 6.522205700000001
_cell_angle_alpha 95.56394999
_cell_angle_beta 95.56394999
_cell_angle_gamma 95.56395338
_sp... | data_image0
_chemical_formula_structural ZnO6
_chemical_formula_sum "Zn1 O6"
_cell_length_a 6.52220492
_cell_length_b 6.52220492
_cell_length_c 6.522205700000001
_cell_angle_alpha 95.56394999
_cell_angle_beta 95.56394999
_cell_angle_gamma 95.56395338
_space_group_name_H-M... |
DeleteAroundAtomAction | df579f02-0c0f-4ae7-b089-237866fcb450 | mp-759040 | Delete all atoms within 3.173 angstrom around the atom at index 13 in the cif file. | data_image0
_chemical_formula_structural Li2Mn4P10O30
_chemical_formula_sum "Li2 Mn4 P10 O30"
_cell_length_a 13.185954
_cell_length_b 5.174124
_cell_length_c 8.74285195
_cell_angle_alpha 76.53825297
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural LiMn4P7O25
_chemical_formula_sum "Li1 Mn4 P7 O25"
_cell_length_a 13.185954
_cell_length_b 5.174124
_cell_length_c 8.74285195
_cell_angle_alpha 76.53825297
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... |
DeleteAroundAtomAction | 74a1c3ed-e095-493b-95bd-a06cf8f7943a | mp-510056 | Delete all atoms within 2.389 angstrom around the atom at index 13 in the cif file. | data_image0
_chemical_formula_structural CaV4Cu3O12
_chemical_formula_sum "Ca1 V4 Cu3 O12"
_cell_length_a 6.41600809
_cell_length_b 6.41600809
_cell_length_c 6.41600809
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_space_grou... | data_image0
_chemical_formula_structural CaV2Cu2O11
_chemical_formula_sum "Ca1 V2 Cu2 O11"
_cell_length_a 6.41600809
_cell_length_b 6.41600809
_cell_length_c 6.41600809
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_space_grou... |
DeleteAroundAtomAction | 2e21991e-5b0d-4aee-813f-edcb9eaa5fa0 | mp-556233 | Delete all atoms within 3.241 angstrom around the atom at index 9 in the cif file. | data_image0
_chemical_formula_structural KAs4ClO6
_chemical_formula_sum "K1 As4 Cl1 O6"
_cell_length_a 5.25328503
_cell_length_b 5.25328503
_cell_length_c 8.94578662
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00001252000001
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural As2ClO3
_chemical_formula_sum "As2 Cl1 O3"
_cell_length_a 5.25328503
_cell_length_b 5.25328503
_cell_length_c 8.94578662
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00001252000001
_space_group_name_H-M_alt ... |
DeleteAroundAtomAction | 4f0e23f2-c7be-408a-8994-ead5c0c6ab5f | mp-753289 | Delete all atoms within 1.996 angstrom around the atom at index 0 in the cif file. | data_image0
_chemical_formula_structural Li4V4F20
_chemical_formula_sum "Li4 V4 F20"
_cell_length_a 5.277474
_cell_length_b 6.019728
_cell_length_c 12.778571
_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 Li3V4F17
_chemical_formula_sum "Li3 V4 F17"
_cell_length_a 5.277474
_cell_length_b 6.019728
_cell_length_c 12.778571
_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 | b9e3c625-455e-47a9-92d2-91eee3949b04 | mp-18612 | Delete all atoms within 2.401 angstrom around the atom at index 10 in the cif file. | data_image0
_chemical_formula_structural Rb8Mo4S16
_chemical_formula_sum "Rb8 Mo4 S16"
_cell_length_a 7.06149462
_cell_length_b 9.76420902
_cell_length_c 12.53190343
_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 Rb8Mo3S12
_chemical_formula_sum "Rb8 Mo3 S12"
_cell_length_a 7.06149462
_cell_length_b 9.76420902
_cell_length_c 12.53190343
_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 | cc9a1f73-7ec4-4b7e-a2a0-3983e6d41ef0 | mp-27623 | Delete all atoms within 3.849 angstrom around the atom at index 23 in the cif file. | data_image0
_chemical_formula_structural Na24Pb4O16
_chemical_formula_sum "Na24 Pb4 O16"
_cell_length_a 9.78566964
_cell_length_b 9.785669640000002
_cell_length_c 9.78566964
_cell_angle_alpha 109.47122062999999
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
... | data_image0
_chemical_formula_structural Na12Pb3O12
_chemical_formula_sum "Na12 Pb3 O12"
_cell_length_a 9.78566964
_cell_length_b 9.785669640000002
_cell_length_c 9.78566964
_cell_angle_alpha 109.47122062999999
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
... |
DeleteAroundAtomAction | 8386c288-2391-4e9c-bbf4-ea9ba57c2202 | mp-1226129 | Delete all atoms within 3.3 angstrom around the atom at index 9 in the cif file. | data_image0
_chemical_formula_structural Eu2Ga4Ge8
_chemical_formula_sum "Eu2 Ga4 Ge8"
_cell_length_a 5.9707076
_cell_length_b 5.9707076
_cell_length_c 13.026865
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 136.87322931
_space_group_name_H-M_alt "P 1"... | data_image0
_chemical_formula_structural Eu2Ga3Ge5
_chemical_formula_sum "Eu2 Ga3 Ge5"
_cell_length_a 5.9707076
_cell_length_b 5.9707076
_cell_length_c 13.026865
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 136.87322931
_space_group_name_H-M_alt "P 1"... |
DeleteAroundAtomAction | 0885c4f2-2f04-45f8-ae40-2a02a71102cd | mp-557908 | Delete all atoms within 2.38 angstrom around the atom at index 8 in the cif file. | data_image0
_chemical_formula_structural As2H10C2O2F12
_chemical_formula_sum "As2 H10 C2 O2 F12"
_cell_length_a 7.184076
_cell_length_b 5.027073
_cell_length_c 8.786539
_cell_angle_alpha 82.24691323
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural As2H6COF12
_chemical_formula_sum "As2 H6 C1 O1 F12"
_cell_length_a 7.184076
_cell_length_b 5.027073
_cell_length_c 8.786539
_cell_angle_alpha 82.24691323
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
DeleteAroundAtomAction | ee5e9be5-ba03-4045-bbb4-36be19e28509 | mp-20673 | Delete all atoms within 3.485 angstrom around the atom at index 2 in the cif file. | data_image0
_chemical_formula_structural MgFe6Ge6
_chemical_formula_sum "Mg1 Fe6 Ge6"
_cell_length_a 5.04725081
_cell_length_b 5.04725561
_cell_length_c 8.18325318
_cell_angle_alpha 90.00000679000001
_cell_angle_beta 89.99998393
_cell_angle_gamma 119.99769413000001
_space... | data_image0
_chemical_formula_structural Fe3Ge
_chemical_formula_sum "Fe3 Ge1"
_cell_length_a 5.04725081
_cell_length_b 5.04725561
_cell_length_c 8.18325318
_cell_angle_alpha 90.00000679000001
_cell_angle_beta 89.99998393
_cell_angle_gamma 119.99769413000001
_space_group_... |
DeleteAroundAtomAction | c4573fb4-284b-41b8-b0c9-f9de796ae03f | mp-758878 | Delete all atoms within 3.938 angstrom around the atom at index 0 in the cif file. | data_image0
_chemical_formula_structural Li3Fe8O3F13
_chemical_formula_sum "Li3 Fe8 O3 F13"
_cell_length_a 6.31150868
_cell_length_b 6.31150868
_cell_length_c 10.450769760000002
_cell_angle_alpha 72.02306054
_cell_angle_beta 72.02306054
_cell_angle_gamma 59.370140129999996... | data_image0
_chemical_formula_structural Li2F6
_chemical_formula_sum "Li2 F6"
_cell_length_a 6.31150868
_cell_length_b 6.31150868
_cell_length_c 10.450769760000002
_cell_angle_alpha 72.02306054
_cell_angle_beta 72.02306054
_cell_angle_gamma 59.370140129999996
_space_group... |
DeleteAroundAtomAction | f24f4abc-2c40-4c76-a991-7d7388e028bd | mp-757738 | Delete all atoms within 2.714 angstrom around the atom at index 48 in the cif file. | data_image0
_chemical_formula_structural Fe19Co5O32
_chemical_formula_sum "Fe19 Co5 O32"
_cell_length_a 8.52149173
_cell_length_b 8.521491729999997
_cell_length_c 10.391043419999999
_cell_angle_alpha 66.16597597
_cell_angle_beta 66.16597596999999
_cell_angle_gamma 89.91677... | data_image0
_chemical_formula_structural Fe15Co5O31
_chemical_formula_sum "Fe15 Co5 O31"
_cell_length_a 8.52149173
_cell_length_b 8.521491729999997
_cell_length_c 10.391043419999999
_cell_angle_alpha 66.16597597
_cell_angle_beta 66.16597596999999
_cell_angle_gamma 89.91677... |
DeleteAroundAtomAction | 57016dc7-f14f-48fb-8331-61124582a3b4 | mp-560175 | Delete all atoms within 3.391 angstrom around the atom at index 35 in the cif file. | data_image0
_chemical_formula_structural Na8Th2Mo8O32
_chemical_formula_sum "Na8 Th2 Mo8 O32"
_cell_length_a 10.18177095
_cell_length_b 10.18177095
_cell_length_c 10.18177095
_cell_angle_alpha 110.81801909
_cell_angle_beta 110.81801909
_cell_angle_gamma 106.80995467
_spac... | data_image0
_chemical_formula_structural Na6Th2Mo6O23
_chemical_formula_sum "Na6 Th2 Mo6 O23"
_cell_length_a 10.18177095
_cell_length_b 10.18177095
_cell_length_c 10.18177095
_cell_angle_alpha 110.81801909
_cell_angle_beta 110.81801909
_cell_angle_gamma 106.80995467
_spac... |
DeleteAroundAtomAction | bfdc8be1-1e67-4113-831d-b0ad1a45759c | mp-779589 | Delete all atoms within 2.338 angstrom around the atom at index 18 in the cif file. | data_image0
_chemical_formula_structural Na12Sb20O56
_chemical_formula_sum "Na12 Sb20 O56"
_cell_length_a 7.26747
_cell_length_b 7.589262
_cell_length_c 24.033403
_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 Na12Sb19O50
_chemical_formula_sum "Na12 Sb19 O50"
_cell_length_a 7.26747
_cell_length_b 7.589262
_cell_length_c 24.033403
_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 | 20767a92-8740-44e6-b197-671fb4e2961a | mp-26941 | Delete all atoms within 2.386 angstrom around the atom at index 24 in the cif file. | data_image0
_chemical_formula_structural Li4Mn4P4O16
_chemical_formula_sum "Li4 Mn4 P4 O16"
_cell_length_a 5.696573
_cell_length_b 6.33341707
_cell_length_c 9.320699319999997
_cell_angle_alpha 76.75482805
_cell_angle_beta 84.48018493
_cell_angle_gamma 75.06026885
_space_g... | data_image0
_chemical_formula_structural Li2Mn3P3O15
_chemical_formula_sum "Li2 Mn3 P3 O15"
_cell_length_a 5.696573
_cell_length_b 6.33341707
_cell_length_c 9.320699319999997
_cell_angle_alpha 76.75482805
_cell_angle_beta 84.48018493
_cell_angle_gamma 75.06026885
_space_g... |
DeleteAroundAtomAction | e5292d57-4530-432a-8e61-7d7d52dcc4be | mp-558119 | Delete all atoms within 2.544 angstrom around the atom at index 32 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 Lu12Mo16O43
_chemical_formula_sum "Lu12 Mo16 O43"
_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 ... |
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