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 | 3ab9ad55-bb71-4ad4-bb54-0087f84980aa | mp-778104 | Delete all atoms within 2.319 angstrom around the atom at index 29 in the cif file. | data_image0
_chemical_formula_structural Na8V8O20
_chemical_formula_sum "Na8 V8 O20"
_cell_length_a 5.347748
_cell_length_b 6.609739
_cell_length_c 17.007004
_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 Na8V7O19
_chemical_formula_sum "Na8 V7 O19"
_cell_length_a 5.347748
_cell_length_b 6.609739
_cell_length_c 17.007004
_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 | 51f67910-3006-4882-9d20-f29265041dc2 | mp-726132 | Delete all atoms within 3.899 angstrom around the atom at index 9 in the cif file. | data_image0
_chemical_formula_structural Ta2N4Cl10
_chemical_formula_sum "Ta2 N4 Cl10"
_cell_length_a 10.54070225
_cell_length_b 10.54070225
_cell_length_c 10.540702249999999
_cell_angle_alpha 140.02971360000004
_cell_angle_beta 140.02971360000004
_cell_angle_gamma 57.8081... | data_image0
_chemical_formula_structural TaCl5
_chemical_formula_sum "Ta1 Cl5"
_cell_length_a 10.54070225
_cell_length_b 10.54070225
_cell_length_c 10.540702249999999
_cell_angle_alpha 140.02971360000004
_cell_angle_beta 140.02971360000004
_cell_angle_gamma 57.80818553
_s... |
DeleteAroundAtomAction | b019228d-4e6c-4a40-a1e5-532d7ee1bfee | mp-1214497 | Delete all atoms within 3.427 angstrom around the atom at index 35 in the cif file. | data_image0
_chemical_formula_structural Ba10P6O24F2
_chemical_formula_sum "Ba10 P6 O24 F2"
_cell_length_a 10.36526542
_cell_length_b 10.36526542
_cell_length_c 7.792644
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999628
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ba7P5O19F2
_chemical_formula_sum "Ba7 P5 O19 F2"
_cell_length_a 10.36526542
_cell_length_b 10.36526542
_cell_length_c 7.792644
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999628
_space_group_name_H-M_alt ... |
DeleteAroundAtomAction | 37794a3a-3a2e-494a-b6bd-7fed50e22991 | mp-1520242 | Delete all atoms within 3.3 angstrom around the atom at index 9 in the cif file. | data_image0
_chemical_formula_structural BaNaPrSeO6
_chemical_formula_sum "Ba1 Na1 Pr1 Se1 O6"
_cell_length_a 5.89468683
_cell_length_b 5.89468683
_cell_length_c 5.89468683
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999... | data_image0
_chemical_formula_structural O
_chemical_formula_sum "O1"
_cell_length_a 5.89468683
_cell_length_b 5.89468683
_cell_length_c 5.89468683
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
_space_group_name... |
DeleteAroundAtomAction | 80608602-28ad-4cb9-92cb-7098cd4a3922 | mp-2713621 | Delete all atoms within 2.647 angstrom around the atom at index 1 in the cif file. | data_image0
_chemical_formula_structural Na12Zr4Ti4Si8P4O48
_chemical_formula_sum "Na12 Zr4 Ti4 Si8 P4 O48"
_cell_length_a 15.70059751
_cell_length_b 9.08334196
_cell_length_c 9.0447651
_cell_angle_alpha 89.98724374000001
_cell_angle_beta 125.00184299
_cell_angle_gamma 90.... | data_image0
_chemical_formula_structural Na11Zr4Ti4Si8P4O43
_chemical_formula_sum "Na11 Zr4 Ti4 Si8 P4 O43"
_cell_length_a 15.70059751
_cell_length_b 9.08334196
_cell_length_c 9.0447651
_cell_angle_alpha 89.98724374000001
_cell_angle_beta 125.00184299
_cell_angle_gamma 90.... |
DeleteAroundAtomAction | fef83c3d-8b75-44a3-958f-9f9dea84308a | mp-1213326 | Delete all atoms within 2.922 angstrom around the atom at index 39 in the cif file. | data_image0
_chemical_formula_structural Cs2Tm2Nb12Br36
_chemical_formula_sum "Cs2 Tm2 Nb12 Br36"
_cell_length_a 9.8943093
_cell_length_b 9.8943093
_cell_length_c 18.473738
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999529
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural Cs2Tm2Nb10Br35
_chemical_formula_sum "Cs2 Tm2 Nb10 Br35"
_cell_length_a 9.8943093
_cell_length_b 9.8943093
_cell_length_c 18.473738
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999529
_space_group_name_H-M_a... |
DeleteAroundAtomAction | f3e51eeb-88b4-45a6-87e8-ffc3ed469175 | mp-1103985 | Delete all atoms within 3.249 angstrom around the atom at index 8 in the cif file. | data_image0
_chemical_formula_structural Nd9Pt6
_chemical_formula_sum "Nd9 Pt6"
_cell_length_a 7.70172695
_cell_length_b 7.701915030000001
_cell_length_c 7.701846680000001
_cell_angle_alpha 71.39027492
_cell_angle_beta 71.38926960999999
_cell_angle_gamma 71.38940419999999
... | data_image0
_chemical_formula_structural Nd8Pt2
_chemical_formula_sum "Nd8 Pt2"
_cell_length_a 7.70172695
_cell_length_b 7.701915030000001
_cell_length_c 7.701846680000001
_cell_angle_alpha 71.39027492
_cell_angle_beta 71.38926960999999
_cell_angle_gamma 71.38940419999999
... |
DeleteAroundAtomAction | 9ba632a0-8059-427c-ac87-b9a46e75e542 | mp-2227842 | Delete all atoms within 3.207 angstrom around the atom at index 11 in the cif file. | data_image0
_chemical_formula_structural MgBi4O8
_chemical_formula_sum "Mg1 Bi4 O8"
_cell_length_a 5.62608818
_cell_length_b 7.93709688
_cell_length_c 7.528547720000001
_cell_angle_alpha 65.96628476
_cell_angle_beta 55.84103581000001
_cell_angle_gamma 52.855121849999996
_... | data_image0
_chemical_formula_structural Bi2O3
_chemical_formula_sum "Bi2 O3"
_cell_length_a 5.62608818
_cell_length_b 7.93709688
_cell_length_c 7.528547720000001
_cell_angle_alpha 65.96628476
_cell_angle_beta 55.84103581000001
_cell_angle_gamma 52.855121849999996
_space_... |
DeleteAroundAtomAction | 24b09cdb-6d89-4ce8-9c44-c4bda55bfc7a | mp-1027965 | Delete all atoms within 3.873 angstrom around the atom at index 13 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 YMg5
_chemical_formula_sum "Y1 Mg5"
_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 "P 1... |
DeleteAroundAtomAction | 9e924c2b-1531-481e-b714-4d7cfa965623 | mp-2958 | Delete all atoms within 3.305 angstrom around the atom at index 0 in the cif file. | data_image0
_chemical_formula_structural Dy2B4C4
_chemical_formula_sum "Dy2 B4 C4"
_cell_length_a 3.57203823
_cell_length_b 5.33014105
_cell_length_c 5.33014105
_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 Dy
_chemical_formula_sum "Dy1"
_cell_length_a 3.57203823
_cell_length_b 5.33014105
_cell_length_c 5.33014105
_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 | e13af063-b85b-4bbb-ab7b-61411b78fabf | mp-542012 | Delete all atoms within 3.492 angstrom around the atom at index 34 in the cif file. | data_image0
_chemical_formula_structural Rb8Hf6S28
_chemical_formula_sum "Rb8 Hf6 S28"
_cell_length_a 11.68521516
_cell_length_b 11.685215160000002
_cell_length_c 13.619825350000001
_cell_angle_alpha 69.26119854000001
_cell_angle_beta 69.26119854000001
_cell_angle_gamma 41... | data_image0
_chemical_formula_structural Rb7Hf5S25
_chemical_formula_sum "Rb7 Hf5 S25"
_cell_length_a 11.68521516
_cell_length_b 11.685215160000002
_cell_length_c 13.619825350000001
_cell_angle_alpha 69.26119854000001
_cell_angle_beta 69.26119854000001
_cell_angle_gamma 41... |
DeleteAroundAtomAction | f9801ae2-08cf-4138-8c88-59293b8fcebe | mp-1075015 | Delete all atoms within 3.689 angstrom around the atom at index 3 in the cif file. | data_image0
_chemical_formula_structural Mg6Si8
_chemical_formula_sum "Mg6 Si8"
_cell_length_a 5.044503
_cell_length_b 7.35325489
_cell_length_c 7.916554249999999
_cell_angle_alpha 74.21862641
_cell_angle_beta 71.62100249
_cell_angle_gamma 83.72573839
_space_group_name_H-... | data_image0
_chemical_formula_structural Mg2Si
_chemical_formula_sum "Mg2 Si1"
_cell_length_a 5.044503
_cell_length_b 7.35325489
_cell_length_c 7.916554249999999
_cell_angle_alpha 74.21862641
_cell_angle_beta 71.62100249
_cell_angle_gamma 83.72573839
_space_group_name_H-M... |
DeleteAroundAtomAction | b913face-15f9-4eb0-8357-150eb3766778 | mp-17822 | Delete all atoms within 2.415 angstrom around the atom at index 12 in the cif file. | data_image0
_chemical_formula_structural Dy8Mo4O24
_chemical_formula_sum "Dy8 Mo4 O24"
_cell_length_a 9.85730477
_cell_length_b 9.857304769999999
_cell_length_c 5.34113972
_cell_angle_alpha 74.85744461
_cell_angle_beta 74.85744461
_cell_angle_gamma 67.9590639
_space_group... | data_image0
_chemical_formula_structural Dy4Mo4O23
_chemical_formula_sum "Dy4 Mo4 O23"
_cell_length_a 9.85730477
_cell_length_b 9.857304769999999
_cell_length_c 5.34113972
_cell_angle_alpha 74.85744461
_cell_angle_beta 74.85744461
_cell_angle_gamma 67.9590639
_space_group... |
DeleteAroundAtomAction | bba463fe-f7ae-4599-b65d-8c74ea70443b | mp-1212718 | Delete all atoms within 2.821 angstrom around the atom at index 12 in the cif file. | data_image0
_chemical_formula_structural Ga12Te12Br4
_chemical_formula_sum "Ga12 Te12 Br4"
_cell_length_a 4.11658704
_cell_length_b 11.12482074
_cell_length_c 19.49617953
_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 Ga10Te11Br4
_chemical_formula_sum "Ga10 Te11 Br4"
_cell_length_a 4.11658704
_cell_length_b 11.12482074
_cell_length_c 19.49617953
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
DeleteAroundAtomAction | 9bdc0c38-1161-4ca5-b511-ce526143ee2b | mp-1200154 | Delete all atoms within 1.936 angstrom around the atom at index 16 in the cif file. | data_image0
_chemical_formula_structural P8Pb4O32
_chemical_formula_sum "P8 Pb4 O32"
_cell_length_a 7.8682906
_cell_length_b 8.05711769
_cell_length_c 11.840985
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 111.23814935
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural P7Pb4O31
_chemical_formula_sum "P7 Pb4 O31"
_cell_length_a 7.8682906
_cell_length_b 8.05711769
_cell_length_c 11.840985
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 111.23814935
_space_group_name_H-M_alt "P 1"
... |
DeleteAroundAtomAction | 89c02bcd-3c4d-43f5-851d-01dbeb25ab3d | mp-1105573 | Delete all atoms within 3.665 angstrom around the atom at index 3 in the cif file. | data_image0
_chemical_formula_structural Ba4Gd2Ga2Te10
_chemical_formula_sum "Ba4 Gd2 Ga2 Te10"
_cell_length_a 7.886872
_cell_length_b 9.38563543
_cell_length_c 10.21431839
_cell_angle_alpha 103.46426365
_cell_angle_beta 103.16181235
_cell_angle_gamma 107.37670959999998
_... | data_image0
_chemical_formula_structural Ba3Gd2Ga2Te5
_chemical_formula_sum "Ba3 Gd2 Ga2 Te5"
_cell_length_a 7.886872
_cell_length_b 9.38563543
_cell_length_c 10.21431839
_cell_angle_alpha 103.46426365
_cell_angle_beta 103.16181235
_cell_angle_gamma 107.37670959999998
_sp... |
DeleteAroundAtomAction | 6d7ea86e-d5cb-4903-af03-869792e2941b | mp-2219347 | Delete all atoms within 2.888 angstrom around the atom at index 9 in the cif file. | data_image0
_chemical_formula_structural MgTe4Mo2W2S4
_chemical_formula_sum "Mg1 Te4 Mo2 W2 S4"
_cell_length_a 3.367064
_cell_length_b 3.36752034
_cell_length_c 43.793182630000004
_cell_angle_alpha 89.87165726
_cell_angle_beta 89.99991883
_cell_angle_gamma 119.995444020000... | data_image0
_chemical_formula_structural MgTe4Mo2WS3
_chemical_formula_sum "Mg1 Te4 Mo2 W1 S3"
_cell_length_a 3.367064
_cell_length_b 3.36752034
_cell_length_c 43.793182630000004
_cell_angle_alpha 89.87165726
_cell_angle_beta 89.99991883
_cell_angle_gamma 119.9954440200000... |
DeleteAroundAtomAction | 81787040-02aa-43b1-9697-7daf8559c92e | mp-1237261 | Delete all atoms within 2.69 angstrom around the atom at index 10 in the cif file. | data_image0
_chemical_formula_structural Ba3MnF12
_chemical_formula_sum "Ba3 Mn1 F12"
_cell_length_a 8.16736363
_cell_length_b 8.16736363
_cell_length_c 6.800095679999999
_cell_angle_alpha 88.67356185
_cell_angle_beta 88.67356185
_cell_angle_gamma 119.35473064
_space_grou... | data_image0
_chemical_formula_structural Ba3F9
_chemical_formula_sum "Ba3 F9"
_cell_length_a 8.16736363
_cell_length_b 8.16736363
_cell_length_c 6.800095679999999
_cell_angle_alpha 88.67356185
_cell_angle_beta 88.67356185
_cell_angle_gamma 119.35473064
_space_group_name_H... |
DeleteAroundAtomAction | fd277563-6586-4a7f-b2b7-40013946823d | mp-672679 | Delete all atoms within 3.906 angstrom around the atom at index 7 in the cif file. | data_image0
_chemical_formula_structural Y16In4Ir4
_chemical_formula_sum "Y16 In4 Ir4"
_cell_length_a 9.68633742
_cell_length_b 9.68635535
_cell_length_c 9.68635539
_cell_angle_alpha 59.999905070000004
_cell_angle_beta 59.99984649
_cell_angle_gamma 59.999844679999995
_spa... | data_image0
_chemical_formula_structural Y5In2Ir2
_chemical_formula_sum "Y5 In2 Ir2"
_cell_length_a 9.68633742
_cell_length_b 9.68635535
_cell_length_c 9.68635539
_cell_angle_alpha 59.999905070000004
_cell_angle_beta 59.99984649
_cell_angle_gamma 59.999844679999995
_space... |
DeleteAroundAtomAction | 84dde26f-b3f9-493b-af6a-bdd3b6c78211 | mp-1228441 | Delete all atoms within 3.711 angstrom around the atom at index 30 in the cif file. | data_image0
_chemical_formula_structural Ba7Hg31
_chemical_formula_sum "Ba7 Hg31"
_cell_length_a 10.96998198
_cell_length_b 10.970007279999999
_cell_length_c 10.4440168
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00007175
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ba4Hg21
_chemical_formula_sum "Ba4 Hg21"
_cell_length_a 10.96998198
_cell_length_b 10.970007279999999
_cell_length_c 10.4440168
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00007175
_space_group_name_H-M_alt ... |
DeleteAroundAtomAction | 30fe37af-9034-4e19-8581-2fb7e728a1e4 | mp-1111648 | Delete all atoms within 3.286 angstrom around the atom at index 6 in the cif file. | data_image0
_chemical_formula_structural K2NaDyCl6
_chemical_formula_sum "K2 Na1 Dy1 Cl6"
_cell_length_a 7.58312909
_cell_length_b 7.58312909
_cell_length_c 7.58312909
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.999999999999... | data_image0
_chemical_formula_structural K2Cl5
_chemical_formula_sum "K2 Cl5"
_cell_length_a 7.58312909
_cell_length_b 7.58312909
_cell_length_c 7.58312909
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
_space_g... |
DeleteAroundAtomAction | c921b2de-f207-480a-b9c9-c8fc1bea2fbf | mp-1201281 | Delete all atoms within 2.032 angstrom around the atom at index 13 in the cif file. | data_image0
_chemical_formula_structural Cs4Np4Mo4O28
_chemical_formula_sum "Cs4 Np4 Mo4 O28"
_cell_length_a 8.198976
_cell_length_b 9.448569
_cell_length_c 10.543912
_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 Cs4Np3Mo4O27
_chemical_formula_sum "Cs4 Np3 Mo4 O27"
_cell_length_a 8.198976
_cell_length_b 9.448569
_cell_length_c 10.543912
_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 | 12cc4c3b-adc1-41ad-83ed-93f399c83f18 | mp-1208464 | Delete all atoms within 3.733 angstrom around the atom at index 0 in the cif file. | data_image0
_chemical_formula_structural Tb16Mg4Co4
_chemical_formula_sum "Tb16 Mg4 Co4"
_cell_length_a 9.56896751
_cell_length_b 9.56904036
_cell_length_c 9.56899201
_cell_angle_alpha 59.99933482000001
_cell_angle_beta 59.99902591000001
_cell_angle_gamma 59.99920851
_spa... | data_image0
_chemical_formula_structural Tb5Mg2Co2
_chemical_formula_sum "Tb5 Mg2 Co2"
_cell_length_a 9.56896751
_cell_length_b 9.56904036
_cell_length_c 9.56899201
_cell_angle_alpha 59.99933482000001
_cell_angle_beta 59.99902591000001
_cell_angle_gamma 59.99920851
_space... |
DeleteAroundAtomAction | 1bb5fef8-d2cb-4aeb-9095-32880ad5550c | mp-1222170 | Delete all atoms within 2.62 angstrom around the atom at index 10 in the cif file. | data_image0
_chemical_formula_structural Mg3MnNi3O8
_chemical_formula_sum "Mg3 Mn1 Ni3 O8"
_cell_length_a 5.94826563
_cell_length_b 5.94826563
_cell_length_c 5.948265850000001
_cell_angle_alpha 60.51667304000001
_cell_angle_beta 60.51667304000001
_cell_angle_gamma 60.51667... | data_image0
_chemical_formula_structural MgNiO7
_chemical_formula_sum "Mg1 Ni1 O7"
_cell_length_a 5.94826563
_cell_length_b 5.94826563
_cell_length_c 5.948265850000001
_cell_angle_alpha 60.51667304000001
_cell_angle_beta 60.51667304000001
_cell_angle_gamma 60.5166725100000... |
DeleteAroundAtomAction | 074004f0-3dfa-4cd8-8b83-897b026677cf | mp-559052 | Delete all atoms within 2.443 angstrom around the atom at index 23 in the cif file. | data_image0
_chemical_formula_structural Li2Nb6Bi8O28
_chemical_formula_sum "Li2 Nb6 Bi8 O28"
_cell_length_a 7.6946639
_cell_length_b 7.6946639
_cell_length_c 12.25300206
_cell_angle_alpha 80.05054554
_cell_angle_beta 80.05054554
_cell_angle_gamma 60.84877041
_space_group... | data_image0
_chemical_formula_structural Li2Nb5Bi7O27
_chemical_formula_sum "Li2 Nb5 Bi7 O27"
_cell_length_a 7.6946639
_cell_length_b 7.6946639
_cell_length_c 12.25300206
_cell_angle_alpha 80.05054554
_cell_angle_beta 80.05054554
_cell_angle_gamma 60.84877041
_space_group... |
DeleteAroundAtomAction | 83b8b1d9-a77b-4757-974e-408a588700da | mp-2715422 | Delete all atoms within 2.599 angstrom around the atom at index 3 in the cif file. | data_image0
_chemical_formula_structural Na12Sc4Al4P12O48
_chemical_formula_sum "Na12 Sc4 Al4 P12 O48"
_cell_length_a 15.30176184
_cell_length_b 8.79478446
_cell_length_c 8.85877168
_cell_angle_alpha 90.10127945
_cell_angle_beta 124.79781841
_cell_angle_gamma 89.9567243299... | data_image0
_chemical_formula_structural Na11Sc4Al4P12O43
_chemical_formula_sum "Na11 Sc4 Al4 P12 O43"
_cell_length_a 15.30176184
_cell_length_b 8.79478446
_cell_length_c 8.85877168
_cell_angle_alpha 90.10127945
_cell_angle_beta 124.79781841
_cell_angle_gamma 89.9567243299... |
DeleteAroundAtomAction | 902837e0-9eb3-46d3-b9d7-f9c54c70b543 | mp-1249486 | Delete all atoms within 3.786 angstrom around the atom at index 53 in the cif file. | data_image0
_chemical_formula_structural Mn12Si12O48
_chemical_formula_sum "Mn12 Si12 O48"
_cell_length_a 10.01614152
_cell_length_b 10.01614152
_cell_length_c 10.01614152
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_space_g... | data_image0
_chemical_formula_structural Mn10Si8O32
_chemical_formula_sum "Mn10 Si8 O32"
_cell_length_a 10.01614152
_cell_length_b 10.01614152
_cell_length_c 10.01614152
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_space_gro... |
DeleteAroundAtomAction | 29f2d0c7-82aa-453f-b54f-45587ac88a7f | mp-557006 | Delete all atoms within 3.994 angstrom around the atom at index 3 in the cif file. | data_image0
_chemical_formula_structural Na8Sb4S4O16F12
_chemical_formula_sum "Na8 Sb4 S4 O16 F12"
_cell_length_a 8.25681579
_cell_length_b 8.25681579
_cell_length_c 11.02966494
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 129.24259993
_space_group_name_... | data_image0
_chemical_formula_structural Na2Sb2S2O10F6
_chemical_formula_sum "Na2 Sb2 S2 O10 F6"
_cell_length_a 8.25681579
_cell_length_b 8.25681579
_cell_length_c 11.02966494
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 129.24259993
_space_group_name_H-... |
DeleteAroundAtomAction | ad91f48e-5657-47b1-83c7-e48ba2068d33 | mp-1076741 | Delete all atoms within 2.934 angstrom around the atom at index 17 in the cif file. | data_image0
_chemical_formula_structural Sr6Ca2Co7CuO24
_chemical_formula_sum "Sr6 Ca2 Co7 Cu1 O24"
_cell_length_a 7.6961361
_cell_length_b 7.6961361
_cell_length_c 7.71022
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.01116017000001
_space_group_name_... | data_image0
_chemical_formula_structural Sr3CaCo5CuO15
_chemical_formula_sum "Sr3 Ca1 Co5 Cu1 O15"
_cell_length_a 7.6961361
_cell_length_b 7.6961361
_cell_length_c 7.71022
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.01116017000001
_space_group_name_H... |
DeleteAroundAtomAction | 7207634a-bb64-4ffe-ac82-3109b3872ddd | mp-1246897 | Delete all atoms within 3.833 angstrom around the atom at index 1 in the cif file. | data_image0
_chemical_formula_structural LuMg2Mn3S8
_chemical_formula_sum "Lu1 Mg2 Mn3 S8"
_cell_length_a 7.42514312
_cell_length_b 7.42512125
_cell_length_c 7.42449994
_cell_angle_alpha 59.42698339
_cell_angle_beta 59.42798618999999
_cell_angle_gamma 59.42385288
_space_g... | data_image0
_chemical_formula_structural LuMgMn3S4
_chemical_formula_sum "Lu1 Mg1 Mn3 S4"
_cell_length_a 7.42514312
_cell_length_b 7.42512125
_cell_length_c 7.42449994
_cell_angle_alpha 59.42698339
_cell_angle_beta 59.42798618999999
_cell_angle_gamma 59.42385288
_space_gr... |
DeleteAroundAtomAction | f15c2f2d-3c94-4122-955b-768731aa0a50 | mp-768624 | Delete all atoms within 1.369 angstrom around the atom at index 21 in the cif file. | data_image0
_chemical_formula_structural Li8Fe4P4C4O28
_chemical_formula_sum "Li8 Fe4 P4 C4 O28"
_cell_length_a 5.090515
_cell_length_b 6.510724439999999
_cell_length_c 16.63003167
_cell_angle_alpha 90.54223525
_cell_angle_beta 94.86125423
_cell_angle_gamma 90.23214153
_s... | data_image0
_chemical_formula_structural Li8Fe4P4C3O27
_chemical_formula_sum "Li8 Fe4 P4 C3 O27"
_cell_length_a 5.090515
_cell_length_b 6.510724439999999
_cell_length_c 16.63003167
_cell_angle_alpha 90.54223525
_cell_angle_beta 94.86125423
_cell_angle_gamma 90.23214153
_s... |
DeleteAroundAtomAction | ed07150c-4874-4209-87f3-1ac579c727d5 | mp-2233834 | Delete all atoms within 1.98 angstrom around the atom at index 10 in the cif file. | data_image0
_chemical_formula_structural MgFe4O6F2
_chemical_formula_sum "Mg1 Fe4 O6 F2"
_cell_length_a 5.29233428
_cell_length_b 9.57097293
_cell_length_c 3.07173475
_cell_angle_alpha 90.09601163
_cell_angle_beta 90.04195788
_cell_angle_gamma 98.25807751999999
_space_gro... | data_image0
_chemical_formula_structural MgFe3O5F2
_chemical_formula_sum "Mg1 Fe3 O5 F2"
_cell_length_a 5.29233428
_cell_length_b 9.57097293
_cell_length_c 3.07173475
_cell_angle_alpha 90.09601163
_cell_angle_beta 90.04195788
_cell_angle_gamma 98.25807751999999
_space_gro... |
DeleteAroundAtomAction | 30366e3a-b2e6-40a2-894d-ca6c038cb51e | mp-1218118 | Delete all atoms within 2.241 angstrom around the atom at index 8 in the cif file. | data_image0
_chemical_formula_structural SrSm3Mn4O12
_chemical_formula_sum "Sr1 Sm3 Mn4 O12"
_cell_length_a 7.759847
_cell_length_b 5.466754
_cell_length_c 5.65238137
_cell_angle_alpha 89.69635752
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural SrSm3Mn2O11
_chemical_formula_sum "Sr1 Sm3 Mn2 O11"
_cell_length_a 7.759847
_cell_length_b 5.466754
_cell_length_c 5.65238137
_cell_angle_alpha 89.69635752
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... |
DeleteAroundAtomAction | 2e44bfb2-d2d5-42e3-84de-b839b0c83f50 | mp-1247633 | Delete all atoms within 3.021 angstrom around the atom at index 21 in the cif file. | data_image0
_chemical_formula_structural SrCa7Mn6Cr2O23
_chemical_formula_sum "Sr1 Ca7 Mn6 Cr2 O23"
_cell_length_a 7.63631933
_cell_length_b 7.66920445
_cell_length_c 7.69493818
_cell_angle_alpha 89.79614860000001
_cell_angle_beta 89.83821673000001
_cell_angle_gamma 89.951... | data_image0
_chemical_formula_structural Ca4Mn4Cr2O14
_chemical_formula_sum "Ca4 Mn4 Cr2 O14"
_cell_length_a 7.63631933
_cell_length_b 7.66920445
_cell_length_c 7.69493818
_cell_angle_alpha 89.79614860000001
_cell_angle_beta 89.83821673000001
_cell_angle_gamma 89.95129041
... |
DeleteAroundAtomAction | de3c5e71-7899-4b6a-a44e-7493ba043c23 | mp-1102559 | Delete all atoms within 3.222 angstrom around the atom at index 0 in the cif file. | data_image0
_chemical_formula_structural Nb4Se8
_chemical_formula_sum "Nb4 Se8"
_cell_length_a 3.51574606
_cell_length_b 3.51574606
_cell_length_c 26.20355334
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000596000001
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Nb3Se6
_chemical_formula_sum "Nb3 Se6"
_cell_length_a 3.51574606
_cell_length_b 3.51574606
_cell_length_c 26.20355334
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000596000001
_space_group_name_H-M_alt "P... |
DeleteAroundAtomAction | f74f522d-3854-4fe6-86ac-546863f566b2 | mp-1305999 | Delete all atoms within 3.658 angstrom around the atom at index 2 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 Ni
_chemical_formula_sum "Ni1"
_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-... |
DeleteAroundAtomAction | f17fb957-f131-414c-bf8b-626f82c476b8 | mp-23477 | Delete all atoms within 2.295 angstrom around the atom at index 14 in the cif file. | data_image0
_chemical_formula_structural Mn4Bi4O12
_chemical_formula_sum "Mn4 Bi4 O12"
_cell_length_a 5.62901617
_cell_length_b 5.62945159
_cell_length_c 9.85565012
_cell_angle_alpha 91.89493016
_cell_angle_beta 105.05685774
_cell_angle_gamma 119.16396708
_space_group_nam... | data_image0
_chemical_formula_structural Mn2Bi3O11
_chemical_formula_sum "Mn2 Bi3 O11"
_cell_length_a 5.62901617
_cell_length_b 5.62945159
_cell_length_c 9.85565012
_cell_angle_alpha 91.89493016
_cell_angle_beta 105.05685774
_cell_angle_gamma 119.16396708
_space_group_nam... |
DeleteAroundAtomAction | 51bff4d6-02de-4acb-beb8-f07b49780e0e | mp-1211547 | Delete all atoms within 3.516 angstrom around the atom at index 6 in the cif file. | data_image0
_chemical_formula_structural K8Th4O12
_chemical_formula_sum "K8 Th4 O12"
_cell_length_a 6.41860493
_cell_length_b 6.41860493
_cell_length_c 12.709467510000001
_cell_angle_alpha 85.06562274
_cell_angle_beta 85.06562274
_cell_angle_gamma 120.1051011
_space_group... | data_image0
_chemical_formula_structural K7Th4O6
_chemical_formula_sum "K7 Th4 O6"
_cell_length_a 6.41860493
_cell_length_b 6.41860493
_cell_length_c 12.709467510000001
_cell_angle_alpha 85.06562274
_cell_angle_beta 85.06562274
_cell_angle_gamma 120.1051011
_space_group_n... |
DeleteAroundAtomAction | 4d04bc05-5a41-4c32-af68-5a44bbf1ee51 | mp-1196274 | Delete all atoms within 2.745 angstrom around the atom at index 23 in the cif file. | data_image0
_chemical_formula_structural Mg4C6Cl2O30
_chemical_formula_sum "Mg4 C6 Cl2 O30"
_cell_length_a 14.05252094
_cell_length_b 14.05252094
_cell_length_c 14.05252174
_cell_angle_alpha 29.35717678999999
_cell_angle_beta 29.35717678999999
_cell_angle_gamma 29.35717676... | data_image0
_chemical_formula_structural Mg3C5Cl2O26
_chemical_formula_sum "Mg3 C5 Cl2 O26"
_cell_length_a 14.05252094
_cell_length_b 14.05252094
_cell_length_c 14.05252174
_cell_angle_alpha 29.35717678999999
_cell_angle_beta 29.35717678999999
_cell_angle_gamma 29.35717676... |
DeleteAroundAtomAction | 0722b113-a399-4756-958d-fc352fc2cc57 | mp-800838 | Delete all atoms within 1.182 angstrom around the atom at index 27 in the cif file. | data_image0
_chemical_formula_structural Mn2Al2P4H30O30
_chemical_formula_sum "Mn2 Al2 P4 H30 O30"
_cell_length_a 9.711474
_cell_length_b 10.19269047
_cell_length_c 7.01071954
_cell_angle_alpha 109.53788970000001
_cell_angle_beta 99.52596611
_cell_angle_gamma 99.03570302
... | data_image0
_chemical_formula_structural Mn2Al2P4H29O29
_chemical_formula_sum "Mn2 Al2 P4 H29 O29"
_cell_length_a 9.711474
_cell_length_b 10.19269047
_cell_length_c 7.01071954
_cell_angle_alpha 109.53788970000001
_cell_angle_beta 99.52596611
_cell_angle_gamma 99.03570302
... |
DeleteAroundAtomAction | 8defb8ac-fa33-484d-9402-f5e62ea0159e | mp-1200810 | Delete all atoms within 3.964 angstrom around the atom at index 56 in the cif file. | data_image0
_chemical_formula_structural Cs16Nb8S44
_chemical_formula_sum "Cs16 Nb8 S44"
_cell_length_a 14.244914
_cell_length_b 8.242934
_cell_length_c 18.75667
_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 Cs13Nb6S37
_chemical_formula_sum "Cs13 Nb6 S37"
_cell_length_a 14.244914
_cell_length_b 8.242934
_cell_length_c 18.75667
_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 | 53283829-50fa-45c7-b496-996d9f0a22d4 | mp-1210133 | Delete all atoms within 3.385 angstrom around the atom at index 25 in the cif file. | data_image0
_chemical_formula_structural Na4Ga4P8O28
_chemical_formula_sum "Na4 Ga4 P8 O28"
_cell_length_a 7.923065
_cell_length_b 7.374088
_cell_length_c 9.57433286
_cell_angle_alpha 67.84418012
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Na2Ga3P6O19
_chemical_formula_sum "Na2 Ga3 P6 O19"
_cell_length_a 7.923065
_cell_length_b 7.374088
_cell_length_c 9.57433286
_cell_angle_alpha 67.84418012
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... |
DeleteAroundAtomAction | eeae87c9-5f47-463d-be18-c72397e63687 | mp-1227615 | Delete all atoms within 3.339 angstrom around the atom at index 17 in the cif file. | data_image0
_chemical_formula_structural Ce4ZrCo25
_chemical_formula_sum "Ce4 Zr1 Co25"
_cell_length_a 4.00569073
_cell_length_b 4.85437428
_cell_length_c 21.19516167
_cell_angle_alpha 96.43421040999999
_cell_angle_beta 89.99720571
_cell_angle_gamma 90.01281617
_space_gro... | data_image0
_chemical_formula_structural Ce3ZrCo18
_chemical_formula_sum "Ce3 Zr1 Co18"
_cell_length_a 4.00569073
_cell_length_b 4.85437428
_cell_length_c 21.19516167
_cell_angle_alpha 96.43421040999999
_cell_angle_beta 89.99720571
_cell_angle_gamma 90.01281617
_space_gro... |
DeleteAroundAtomAction | 73c3ab88-8a29-487f-8ad9-c946b41df998 | mp-2019122 | Delete all atoms within 3.318 angstrom around the atom at index 10 in the cif file. | data_image0
_chemical_formula_structural Sm4Br8
_chemical_formula_sum "Sm4 Br8"
_cell_length_a 3.97962433
_cell_length_b 6.79900415
_cell_length_c 14.29591839
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_gro... | data_image0
_chemical_formula_structural Sm2Br7
_chemical_formula_sum "Sm2 Br7"
_cell_length_a 3.97962433
_cell_length_b 6.79900415
_cell_length_c 14.29591839
_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 | 3dd3dc80-3984-4e69-b0c2-218ba9b017a2 | mp-861565 | Delete all atoms within 2.754 angstrom around the atom at index 1 in the cif file. | data_image0
_chemical_formula_structural Mn7O3F9
_chemical_formula_sum "Mn7 O3 F9"
_cell_length_a 6.319617
_cell_length_b 6.36859739
_cell_length_c 6.47183273
_cell_angle_alpha 89.80964627
_cell_angle_beta 89.10617251999999
_cell_angle_gamma 89.38792207
_space_group_name_... | data_image0
_chemical_formula_structural Mn6O2F4
_chemical_formula_sum "Mn6 O2 F4"
_cell_length_a 6.319617
_cell_length_b 6.36859739
_cell_length_c 6.47183273
_cell_angle_alpha 89.80964627
_cell_angle_beta 89.10617251999999
_cell_angle_gamma 89.38792207
_space_group_name_... |
DeleteAroundAtomAction | 041a71db-7be0-4bbe-8d8f-13157a2ccfbf | mp-995218 | Delete all atoms within 1.913 angstrom around the atom at index 6 in the cif file. | data_image0
_chemical_formula_structural H8C10O4
_chemical_formula_sum "H8 C10 O4"
_cell_length_a 4.579524
_cell_length_b 6.002159869999999
_cell_length_c 9.11976597
_cell_angle_alpha 95.13690385
_cell_angle_beta 101.65791057000001
_cell_angle_gamma 111.98061829000001
_sp... | data_image0
_chemical_formula_structural H6C9O4
_chemical_formula_sum "H6 C9 O4"
_cell_length_a 4.579524
_cell_length_b 6.002159869999999
_cell_length_c 9.11976597
_cell_angle_alpha 95.13690385
_cell_angle_beta 101.65791057000001
_cell_angle_gamma 111.98061829000001
_spac... |
DeleteAroundAtomAction | 74575ddc-73f7-4306-bda9-ed6d85ae0e4d | mp-1192592 | Delete all atoms within 3.396 angstrom around the atom at index 11 in the cif file. | data_image0
_chemical_formula_structural Ce6Mg23Sb
_chemical_formula_sum "Ce6 Mg23 Sb1"
_cell_length_a 10.28510572
_cell_length_b 10.28510572
_cell_length_c 10.28510572
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.999999999999... | data_image0
_chemical_formula_structural Ce6Mg13Sb
_chemical_formula_sum "Ce6 Mg13 Sb1"
_cell_length_a 10.28510572
_cell_length_b 10.28510572
_cell_length_c 10.28510572
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.999999999999... |
DeleteAroundAtomAction | 1e964345-0815-4589-a95a-3957bb611fbe | mp-1217721 | Delete all atoms within 3.572 angstrom around the atom at index 13 in the cif file. | data_image0
_chemical_formula_structural Tb6Al8Fe4
_chemical_formula_sum "Tb6 Al8 Fe4"
_cell_length_a 5.41548454
_cell_length_b 5.42113991
_cell_length_c 13.43452047
_cell_angle_alpha 90.33912397
_cell_angle_beta 89.20829155000001
_cell_angle_gamma 119.18295097
_space_gro... | data_image0
_chemical_formula_structural Tb2Al4Fe3
_chemical_formula_sum "Tb2 Al4 Fe3"
_cell_length_a 5.41548454
_cell_length_b 5.42113991
_cell_length_c 13.43452047
_cell_angle_alpha 90.33912397
_cell_angle_beta 89.20829155000001
_cell_angle_gamma 119.18295097
_space_gro... |
DeleteAroundAtomAction | 123215a5-77ed-4c71-89ff-a177955cd948 | mp-24508 | Delete all atoms within 2.609 angstrom around the atom at index 28 in the cif file. | data_image0
_chemical_formula_structural Zr4H12N4F16
_chemical_formula_sum "Zr4 H12 N4 F16"
_cell_length_a 6.146749
_cell_length_b 8.19149329
_cell_length_c 8.70000203
_cell_angle_alpha 106.9740498
_cell_angle_beta 103.99847975
_cell_angle_gamma 106.73398347
_space_group_... | data_image0
_chemical_formula_structural Zr2H10N4F13
_chemical_formula_sum "Zr2 H10 N4 F13"
_cell_length_a 6.146749
_cell_length_b 8.19149329
_cell_length_c 8.70000203
_cell_angle_alpha 106.9740498
_cell_angle_beta 103.99847975
_cell_angle_gamma 106.73398347
_space_group_... |
DeleteAroundAtomAction | d37d45af-82ba-41e1-a9e4-dc21e5924d4d | mp-769705 | Delete all atoms within 3.967 angstrom around the atom at index 24 in the cif file. | data_image0
_chemical_formula_structural Cd4Co8O16
_chemical_formula_sum "Cd4 Co8 O16"
_cell_length_a 5.066793
_cell_length_b 5.90934957
_cell_length_c 11.010851280000002
_cell_angle_alpha 89.0754837
_cell_angle_beta 89.91991697
_cell_angle_gamma 89.28698270000001
_space_... | data_image0
_chemical_formula_structural Cd2Co4O7
_chemical_formula_sum "Cd2 Co4 O7"
_cell_length_a 5.066793
_cell_length_b 5.90934957
_cell_length_c 11.010851280000002
_cell_angle_alpha 89.0754837
_cell_angle_beta 89.91991697
_cell_angle_gamma 89.28698270000001
_space_gr... |
DeleteAroundAtomAction | 0a913cfe-426a-4d89-8fc6-4cdf4dc57517 | mp-775461 | Delete all atoms within 2.865 angstrom around the atom at index 13 in the cif file. | data_image0
_chemical_formula_structural Li8V12Fe4O32
_chemical_formula_sum "Li8 V12 Fe4 O32"
_cell_length_a 8.419902
_cell_length_b 8.419902
_cell_length_c 8.529101
_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 Li8V11Fe4O26
_chemical_formula_sum "Li8 V11 Fe4 O26"
_cell_length_a 8.419902
_cell_length_b 8.419902
_cell_length_c 8.529101
_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 | 48c2c445-343e-4033-b741-a68fedf53097 | mp-1246907 | Delete all atoms within 3.786 angstrom around the atom at index 5 in the cif file. | data_image0
_chemical_formula_structural Sr6Co4N8
_chemical_formula_sum "Sr6 Co4 N8"
_cell_length_a 7.06809409
_cell_length_b 8.63697807
_cell_length_c 5.5587382
_cell_angle_alpha 89.99999805
_cell_angle_beta 93.41871608999999
_cell_angle_gamma 127.66064499000001
_space_g... | data_image0
_chemical_formula_structural Sr2N2
_chemical_formula_sum "Sr2 N2"
_cell_length_a 7.06809409
_cell_length_b 8.63697807
_cell_length_c 5.5587382
_cell_angle_alpha 89.99999805
_cell_angle_beta 93.41871608999999
_cell_angle_gamma 127.66064499000001
_space_group_na... |
DeleteAroundAtomAction | 2dcea76f-a345-4e58-871e-9713c410ed7d | mp-28481 | Delete all atoms within 1.459 angstrom around the atom at index 27 in the cif file. | data_image0
_chemical_formula_structural Ti2Cl8O32
_chemical_formula_sum "Ti2 Cl8 O32"
_cell_length_a 7.36965456
_cell_length_b 7.36959662
_cell_length_c 12.98710817
_cell_angle_alpha 73.70079455
_cell_angle_beta 73.7011985
_cell_angle_gamma 64.01522777
_space_group_name_... | data_image0
_chemical_formula_structural Ti2Cl7O31
_chemical_formula_sum "Ti2 Cl7 O31"
_cell_length_a 7.36965456
_cell_length_b 7.36959662
_cell_length_c 12.98710817
_cell_angle_alpha 73.70079455
_cell_angle_beta 73.7011985
_cell_angle_gamma 64.01522777
_space_group_name_... |
DeleteAroundAtomAction | 85466b18-2d0c-404a-9b16-37742178a8e9 | mp-2240397 | Delete all atoms within 3.243 angstrom around the atom at index 6 in the cif file. | data_image0
_chemical_formula_structural MgCd2Bi2O6
_chemical_formula_sum "Mg1 Cd2 Bi2 O6"
_cell_length_a 5.56458951
_cell_length_b 7.0200275
_cell_length_c 5.771075549999999
_cell_angle_alpha 63.13246041999998
_cell_angle_beta 117.61251132
_cell_angle_gamma 114.96516471
... | data_image0
_chemical_formula_structural BiO
_chemical_formula_sum "Bi1 O1"
_cell_length_a 5.56458951
_cell_length_b 7.0200275
_cell_length_c 5.771075549999999
_cell_angle_alpha 63.13246041999998
_cell_angle_beta 117.61251132
_cell_angle_gamma 114.96516471
_space_group_na... |
DeleteAroundAtomAction | 03f31aed-f136-463d-bfbf-50675522feef | mp-1031722 | Delete all atoms within 3.561 angstrom around the atom at index 6 in the cif file. | data_image0
_chemical_formula_structural Mg6CoBiO8
_chemical_formula_sum "Mg6 Co1 Bi1 O8"
_cell_length_a 8.95011624
_cell_length_b 4.47292553
_cell_length_c 4.47292553
_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 MgBiO4
_chemical_formula_sum "Mg1 Bi1 O4"
_cell_length_a 8.95011624
_cell_length_b 4.47292553
_cell_length_c 4.47292553
_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 | 627101b6-1335-476d-a385-602a788f420b | mp-734012 | Delete all atoms within 2.626 angstrom around the atom at index 12 in the cif file. | data_image0
_chemical_formula_structural K8Lu4Si16O44
_chemical_formula_sum "K8 Lu4 Si16 O44"
_cell_length_a 8.625046
_cell_length_b 11.685121
_cell_length_c 11.83010728
_cell_angle_alpha 68.01074026
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural K8Lu4Si15O40
_chemical_formula_sum "K8 Lu4 Si15 O40"
_cell_length_a 8.625046
_cell_length_b 11.685121
_cell_length_c 11.83010728
_cell_angle_alpha 68.01074026
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
DeleteAroundAtomAction | e5537cbb-2a00-4200-a2b7-626a48548633 | mp-1192907 | Delete all atoms within 3.092 angstrom around the atom at index 3 in the cif file. | data_image0
_chemical_formula_structural Cr6P4O16
_chemical_formula_sum "Cr6 P4 O16"
_cell_length_a 4.83687353
_cell_length_b 7.999447349999999
_cell_length_c 10.782286
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 98.04748126999999
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Cr5P2O12
_chemical_formula_sum "Cr5 P2 O12"
_cell_length_a 4.83687353
_cell_length_b 7.999447349999999
_cell_length_c 10.782286
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 98.04748126999999
_space_group_name_H-M_... |
DeleteAroundAtomAction | ab990749-40c7-4153-94a1-e7ecc9268144 | mp-753597 | Delete all atoms within 2.905 angstrom around the atom at index 7 in the cif file. | data_image0
_chemical_formula_structural Li4V2F12
_chemical_formula_sum "Li4 V2 F12"
_cell_length_a 5.230218
_cell_length_b 5.200055
_cell_length_c 9.21503242
_cell_angle_alpha 55.9918828
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... | data_image0
_chemical_formula_structural Li2VF5
_chemical_formula_sum "Li2 V1 F5"
_cell_length_a 5.230218
_cell_length_b 5.200055
_cell_length_c 9.21503242
_cell_angle_alpha 55.9918828
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_... |
DeleteAroundAtomAction | 55b90227-2afe-495f-9ec2-3d5b2767dc05 | mp-1209813 | Delete all atoms within 3.763 angstrom around the atom at index 21 in the cif file. | data_image0
_chemical_formula_structural Sm6Sn26Ru8
_chemical_formula_sum "Sm6 Sn26 Ru8"
_cell_length_a 9.74528079
_cell_length_b 9.745272429999998
_cell_length_c 9.74526234
_cell_angle_alpha 89.99968874999999
_cell_angle_beta 90.00098056
_cell_angle_gamma 90.00031337
_sp... | data_image0
_chemical_formula_structural Sm3Sn17Ru6
_chemical_formula_sum "Sm3 Sn17 Ru6"
_cell_length_a 9.74528079
_cell_length_b 9.745272429999998
_cell_length_c 9.74526234
_cell_angle_alpha 89.99968874999999
_cell_angle_beta 90.00098056
_cell_angle_gamma 90.00031337
_sp... |
DeleteAroundAtomAction | 7cb908a8-fe6c-4c33-8470-9e65e3d31710 | mp-7152 | Delete all atoms within 3.55 angstrom around the atom at index 6 in the cif file. | data_image0
_chemical_formula_structural Cs2Zr2Cu2Se6
_chemical_formula_sum "Cs2 Zr2 Cu2 Se6"
_cell_length_a 3.946362
_cell_length_b 8.38487027
_cell_length_c 10.286295
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 103.61086135
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Cs2ZrCuSe5
_chemical_formula_sum "Cs2 Zr1 Cu1 Se5"
_cell_length_a 3.946362
_cell_length_b 8.38487027
_cell_length_c 10.286295
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 103.61086135
_space_group_name_H-M_alt ... |
DeleteAroundAtomAction | dfe11594-09f2-4e25-82f8-a2cdc968d177 | mp-559593 | Delete all atoms within 1.737 angstrom around the atom at index 23 in the cif file. | data_image0
_chemical_formula_structural P3S9N15F6
_chemical_formula_sum "P3 S9 N15 F6"
_cell_length_a 11.52852389
_cell_length_b 11.52852389
_cell_length_c 11.528524
_cell_angle_alpha 117.55470366999998
_cell_angle_beta 117.55470366999998
_cell_angle_gamma 117.55470631999... | data_image0
_chemical_formula_structural P3S8N14F6
_chemical_formula_sum "P3 S8 N14 F6"
_cell_length_a 11.52852389
_cell_length_b 11.52852389
_cell_length_c 11.528524
_cell_angle_alpha 117.55470366999998
_cell_angle_beta 117.55470366999998
_cell_angle_gamma 117.55470631999... |
DeleteAroundAtomAction | 163e271a-ea44-4177-af9e-4e790841258b | mp-1245382 | Delete all atoms within 3.608 angstrom around the atom at index 2 in the cif file. | data_image0
_chemical_formula_structural Ca28V4N24
_chemical_formula_sum "Ca28 V4 N24"
_cell_length_a 11.1350611
_cell_length_b 6.32763812
_cell_length_c 12.92723831
_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 Ca20V3N18
_chemical_formula_sum "Ca20 V3 N18"
_cell_length_a 11.1350611
_cell_length_b 6.32763812
_cell_length_c 12.92723831
_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 | cc6cf5a3-581d-4090-b905-73eb8f1b1f0f | mp-1039781 | Delete all atoms within 2.456 angstrom around the atom at index 39 in the cif file. | data_image0
_chemical_formula_structural NaMg30WO32
_chemical_formula_sum "Na1 Mg30 W1 O32"
_cell_length_a 8.565666
_cell_length_b 8.565666
_cell_length_c 8.56018
_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 NaMg25O31
_chemical_formula_sum "Na1 Mg25 O31"
_cell_length_a 8.565666
_cell_length_b 8.565666
_cell_length_c 8.56018
_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 | 03de28f7-7a9c-46f0-a20e-39fcf3b0a353 | mp-1182886 | Delete all atoms within 3.467 angstrom around the atom at index 9 in the cif file. | data_image0
_chemical_formula_structural Al8O24
_chemical_formula_sum "Al8 O24"
_cell_length_a 5.430238
_cell_length_b 8.937896
_cell_length_c 12.15981255
_cell_angle_alpha 49.744131579999994
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural Al6O16
_chemical_formula_sum "Al6 O16"
_cell_length_a 5.430238
_cell_length_b 8.937896
_cell_length_c 12.15981255
_cell_angle_alpha 49.744131579999994
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... |
DeleteAroundAtomAction | 40461b5c-370f-4ddb-841f-0cb301e8576d | mp-1194089 | Delete all atoms within 3.51 angstrom around the atom at index 0 in the cif file. | data_image0
_chemical_formula_structural CaMn28
_chemical_formula_sum "Ca1 Mn28"
_cell_length_a 7.5882341
_cell_length_b 7.5882341
_cell_length_c 7.5882341
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural Mn12
_chemical_formula_sum "Mn12"
_cell_length_a 7.5882341
_cell_length_b 7.5882341
_cell_length_c 7.5882341
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_space_group_name_H-M_alt "... |
DeleteAroundAtomAction | 3a5960bb-c8d8-4047-aae4-2dd1a3105121 | mp-774656 | Delete all atoms within 3.386 angstrom around the atom at index 9 in the cif file. | data_image0
_chemical_formula_structural Li5Ti6FeO16
_chemical_formula_sum "Li5 Ti6 Fe1 O16"
_cell_length_a 5.9718
_cell_length_b 5.956294
_cell_length_c 8.45482215
_cell_angle_alpha 89.67128089000002
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Li2Ti2FeO10
_chemical_formula_sum "Li2 Ti2 Fe1 O10"
_cell_length_a 5.9718
_cell_length_b 5.956294
_cell_length_c 8.45482215
_cell_angle_alpha 89.67128089000002
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
DeleteAroundAtomAction | 2ec70648-71a0-46d4-9795-ccde85149773 | mp-1204504 | Delete all atoms within 1.851 angstrom around the atom at index 12 in the cif file. | data_image0
_chemical_formula_structural U4C8O24
_chemical_formula_sum "U4 C8 O24"
_cell_length_a 7.67082925
_cell_length_b 7.67082925
_cell_length_c 11.03963365
_cell_angle_alpha 83.57937007
_cell_angle_beta 83.57937007
_cell_angle_gamma 65.36059009
_space_group_name_H-M... | data_image0
_chemical_formula_structural U4C7O23
_chemical_formula_sum "U4 C7 O23"
_cell_length_a 7.67082925
_cell_length_b 7.67082925
_cell_length_c 11.03963365
_cell_angle_alpha 83.57937007
_cell_angle_beta 83.57937007
_cell_angle_gamma 65.36059009
_space_group_name_H-M... |
DeleteAroundAtomAction | ed748016-2b37-435b-97d5-50b9151cc64b | mp-1204422 | Delete all atoms within 2.192 angstrom around the atom at index 70 in the cif file. | data_image0
_chemical_formula_structural Mg4P8H40N8O32
_chemical_formula_sum "Mg4 P8 H40 N8 O32"
_cell_length_a 10.578873
_cell_length_b 6.494162
_cell_length_c 12.908394680000002
_cell_angle_alpha 75.91570025
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name... | data_image0
_chemical_formula_structural Mg3P7H39N8O31
_chemical_formula_sum "Mg3 P7 H39 N8 O31"
_cell_length_a 10.578873
_cell_length_b 6.494162
_cell_length_c 12.908394680000002
_cell_angle_alpha 75.91570025
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name... |
DeleteAroundAtomAction | 07f509da-2989-4ac3-a1e6-6e2e372c2e6d | mp-1196023 | Delete all atoms within 3.626 angstrom around the atom at index 28 in the cif file. | data_image0
_chemical_formula_structural Sc6Ni22Ge8
_chemical_formula_sum "Sc6 Ni22 Ge8"
_cell_length_a 8.07399297
_cell_length_b 8.07399297
_cell_length_c 8.429277
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99718918
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Sc2Ni14Ge7
_chemical_formula_sum "Sc2 Ni14 Ge7"
_cell_length_a 8.07399297
_cell_length_b 8.07399297
_cell_length_c 8.429277
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99718918
_space_group_name_H-M_alt "P... |
DeleteAroundAtomAction | c8f99f2b-167d-4dca-a8b2-2d64ec120c89 | mp-1022621 | Delete all atoms within 3.294 angstrom around the atom at index 0 in the cif file. | data_image0
_chemical_formula_structural Mg12Zn2Cu2
_chemical_formula_sum "Mg12 Zn2 Cu2"
_cell_length_a 4.944464
_cell_length_b 5.998818
_cell_length_c 10.550665
_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 Mg6Cu
_chemical_formula_sum "Mg6 Cu1"
_cell_length_a 4.944464
_cell_length_b 5.998818
_cell_length_c 10.550665
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_group_IT_n... |
DeleteAroundAtomAction | f07e671d-5af5-4c86-8ba7-126aef92afb8 | mp-1188333 | Delete all atoms within 3.487 angstrom around the atom at index 8 in the cif file. | data_image0
_chemical_formula_structural Y4Co14
_chemical_formula_sum "Y4 Co14"
_cell_length_a 12.37499034
_cell_length_b 12.37499034
_cell_length_c 12.374990559999999
_cell_angle_alpha 23.14047980999999
_cell_angle_beta 23.14047980999996
_cell_angle_gamma 23.1404838999999... | data_image0
_chemical_formula_structural Y3Co6
_chemical_formula_sum "Y3 Co6"
_cell_length_a 12.37499034
_cell_length_b 12.37499034
_cell_length_c 12.374990559999999
_cell_angle_alpha 23.14047980999999
_cell_angle_beta 23.14047980999996
_cell_angle_gamma 23.140483899999968... |
DeleteAroundAtomAction | 349fd360-ce79-456b-9c5c-1adcfee47492 | mp-567194 | Delete all atoms within 2.891 angstrom around the atom at index 70 in the cif file. | data_image0
_chemical_formula_structural Mn8Nb36Ge32
_chemical_formula_sum "Mn8 Nb36 Ge32"
_cell_length_a 5.336457
_cell_length_b 14.002561
_cell_length_c 16.848987
_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 Mn7Nb29Ge31
_chemical_formula_sum "Mn7 Nb29 Ge31"
_cell_length_a 5.336457
_cell_length_b 14.002561
_cell_length_c 16.848987
_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 | 8457a99d-061c-4bd1-accf-51f9391266dd | mp-1073481 | Delete all atoms within 3.295 angstrom around the atom at index 8 in the cif file. | data_image0
_chemical_formula_structural Mg4Si8
_chemical_formula_sum "Mg4 Si8"
_cell_length_a 5.22863097
_cell_length_b 5.22863097
_cell_length_c 12.24682311
_cell_angle_alpha 72.82107982000001
_cell_angle_beta 72.82107982000001
_cell_angle_gamma 39.74553267999999
_space... | data_image0
_chemical_formula_structural Mg2Si3
_chemical_formula_sum "Mg2 Si3"
_cell_length_a 5.22863097
_cell_length_b 5.22863097
_cell_length_c 12.24682311
_cell_angle_alpha 72.82107982000001
_cell_angle_beta 72.82107982000001
_cell_angle_gamma 39.74553267999999
_space... |
DeleteAroundAtomAction | 1a02a81c-1b05-4443-9f23-011f9dd5ad0e | mp-10299 | Delete all atoms within 3.816 angstrom around the atom at index 6 in the cif file. | data_image0
_chemical_formula_structural Ca8Pd2O12
_chemical_formula_sum "Ca8 Pd2 O12"
_cell_length_a 6.54188412
_cell_length_b 6.54188412
_cell_length_c 6.541883799999999
_cell_angle_alpha 90.60076817
_cell_angle_beta 90.60076817
_cell_angle_gamma 90.60077995999998
_spac... | data_image0
_chemical_formula_structural CaO4
_chemical_formula_sum "Ca1 O4"
_cell_length_a 6.54188412
_cell_length_b 6.54188412
_cell_length_c 6.541883799999999
_cell_angle_alpha 90.60076817
_cell_angle_beta 90.60076817
_cell_angle_gamma 90.60077995999998
_space_group_na... |
DeleteAroundAtomAction | 7e9142bb-f979-44de-853c-1f482b52296a | mp-30447 | Delete all atoms within 3.582 angstrom around the atom at index 5 in the cif file. | data_image0
_chemical_formula_structural Sr18Cd8Bi18
_chemical_formula_sum "Sr18 Cd8 Bi18"
_cell_length_a 4.92851629
_cell_length_b 13.3750904
_cell_length_c 23.587212490000002
_cell_angle_alpha 89.99999363
_cell_angle_beta 90.00000449
_cell_angle_gamma 90.00000158
_space... | data_image0
_chemical_formula_structural Sr17Cd7Bi15
_chemical_formula_sum "Sr17 Cd7 Bi15"
_cell_length_a 4.92851629
_cell_length_b 13.3750904
_cell_length_c 23.587212490000002
_cell_angle_alpha 89.99999363
_cell_angle_beta 90.00000449
_cell_angle_gamma 90.00000158
_space... |
DeleteAroundAtomAction | 2ae95b22-1c12-428b-8c6f-88f3647a1d74 | mp-978968 | Delete all atoms within 2.194 angstrom around the atom at index 1 in the cif file. | data_image0
_chemical_formula_structural Ti6O4
_chemical_formula_sum "Ti6 O4"
_cell_length_a 5.10178254
_cell_length_b 5.10248261
_cell_length_c 5.763470289999999
_cell_angle_alpha 116.26941068999999
_cell_angle_beta 63.72712982
_cell_angle_gamma 119.99390627
_space_group... | data_image0
_chemical_formula_structural Ti5
_chemical_formula_sum "Ti5"
_cell_length_a 5.10178254
_cell_length_b 5.10248261
_cell_length_c 5.763470289999999
_cell_angle_alpha 116.26941068999999
_cell_angle_beta 63.72712982
_cell_angle_gamma 119.99390627
_space_group_name... |
DeleteAroundAtomAction | 2b258b18-1b5c-4416-97ec-e9e4ff8608e2 | mp-627591 | Delete all atoms within 3.324 angstrom around the atom at index 3 in the cif file. | data_image0
_chemical_formula_structural Fe8Si4S16
_chemical_formula_sum "Fe8 Si4 S16"
_cell_length_a 5.808157
_cell_length_b 7.026927
_cell_length_c 12.166527
_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 Fe7Si3S10
_chemical_formula_sum "Fe7 Si3 S10"
_cell_length_a 5.808157
_cell_length_b 7.026927
_cell_length_c 12.166527
_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 | dd8aae25-f45d-434b-beac-1d611e7f4076 | mp-731799 | Delete all atoms within 2.029 angstrom around the atom at index 28 in the cif file. | data_image0
_chemical_formula_structural Mg12C6Cl6O36
_chemical_formula_sum "Mg12 C6 Cl6 O36"
_cell_length_a 7.518464
_cell_length_b 13.36744087
_cell_length_c 13.44225658
_cell_angle_alpha 116.23411858999998
_cell_angle_beta 100.70271424
_cell_angle_gamma 100.870698739999... | data_image0
_chemical_formula_structural Mg12C6Cl5O35
_chemical_formula_sum "Mg12 C6 Cl5 O35"
_cell_length_a 7.518464
_cell_length_b 13.36744087
_cell_length_c 13.44225658
_cell_angle_alpha 116.23411858999998
_cell_angle_beta 100.70271424
_cell_angle_gamma 100.870698739999... |
DeleteAroundAtomAction | ab3a2fe8-447d-4313-9706-a75e4591c10f | mp-849991 | Delete all atoms within 2.437 angstrom around the atom at index 24 in the cif file. | data_image0
_chemical_formula_structural Li24Fe12F48
_chemical_formula_sum "Li24 Fe12 F48"
_cell_length_a 7.492188
_cell_length_b 8.78959
_cell_length_c 17.86894667
_cell_angle_alpha 60.89034093
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Li24Fe11F42
_chemical_formula_sum "Li24 Fe11 F42"
_cell_length_a 7.492188
_cell_length_b 8.78959
_cell_length_c 17.86894667
_cell_angle_alpha 60.89034093
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
DeleteAroundAtomAction | 2f09a1df-cb1f-44d9-8677-720205b9703c | mp-551407 | Delete all atoms within 3.943 angstrom around the atom at index 2 in the cif file. | data_image0
_chemical_formula_structural Co2Se2O8
_chemical_formula_sum "Co2 Se2 O8"
_cell_length_a 4.89393738
_cell_length_b 4.89395285
_cell_length_c 6.5247723
_cell_angle_alpha 90.00732374000002
_cell_angle_beta 90.00334287
_cell_angle_gamma 112.29997095
_space_group_n... | data_image0
_chemical_formula_structural Se
_chemical_formula_sum "Se1"
_cell_length_a 4.89393738
_cell_length_b 4.89395285
_cell_length_c 6.5247723
_cell_angle_alpha 90.00732374000002
_cell_angle_beta 90.00334287
_cell_angle_gamma 112.29997095
_space_group_name_H-M_alt ... |
DeleteAroundAtomAction | 9062094a-7603-4767-8bee-07d1a7b87d17 | mp-2526683 | Delete all atoms within 3.791 angstrom around the atom at index 0 in the cif file. | data_image0
_chemical_formula_structural W7O21
_chemical_formula_sum "W7 O21"
_cell_length_a 7.4016886
_cell_length_b 7.57954804
_cell_length_c 8.43502873
_cell_angle_alpha 101.27526302999999
_cell_angle_beta 90.09988539000001
_cell_angle_gamma 90.05475677
_space_group_na... | data_image0
_chemical_formula_structural W2O11
_chemical_formula_sum "W2 O11"
_cell_length_a 7.4016886
_cell_length_b 7.57954804
_cell_length_c 8.43502873
_cell_angle_alpha 101.27526302999999
_cell_angle_beta 90.09988539000001
_cell_angle_gamma 90.05475677
_space_group_na... |
DeleteAroundAtomAction | 70b83416-2772-4f0c-8813-593fb5f77c08 | mp-757606 | Delete all atoms within 2.855 angstrom around the atom at index 25 in the cif file. | data_image0
_chemical_formula_structural Li4Ni4P4O16
_chemical_formula_sum "Li4 Ni4 P4 O16"
_cell_length_a 5.49464502
_cell_length_b 6.239611080000001
_cell_length_c 9.28187495
_cell_angle_alpha 105.10267002000002
_cell_angle_beta 80.98396444
_cell_angle_gamma 103.96264312... | data_image0
_chemical_formula_structural Li2Ni3P3O10
_chemical_formula_sum "Li2 Ni3 P3 O10"
_cell_length_a 5.49464502
_cell_length_b 6.239611080000001
_cell_length_c 9.28187495
_cell_angle_alpha 105.10267002000002
_cell_angle_beta 80.98396444
_cell_angle_gamma 103.96264312... |
DeleteAroundAtomAction | 4868c6ad-1ae1-4969-98b4-25f4906659e4 | mp-1229206 | Delete all atoms within 2.849 angstrom around the atom at index 48 in the cif file. | data_image0
_chemical_formula_structural BaCaFe24O38
_chemical_formula_sum "Ba1 Ca1 Fe24 O38"
_cell_length_a 6.00964236
_cell_length_b 6.009527
_cell_length_c 23.330949
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 60.00011525
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural BaCaFe20O34
_chemical_formula_sum "Ba1 Ca1 Fe20 O34"
_cell_length_a 6.00964236
_cell_length_b 6.009527
_cell_length_c 23.330949
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 60.00011525
_space_group_name_H-M_alt ... |
DeleteAroundAtomAction | f40b4eb0-bf5e-47f3-b826-fd8c36556ab6 | mp-568693 | Delete all atoms within 3.572 angstrom around the atom at index 25 in the cif file. | data_image0
_chemical_formula_structural Gd2Al18Ni6
_chemical_formula_sum "Gd2 Al18 Ni6"
_cell_length_a 10.01121256
_cell_length_b 10.01121256
_cell_length_c 10.01121108
_cell_angle_alpha 42.44124238
_cell_angle_beta 42.44124238
_cell_angle_gamma 42.44124581000001
_space_... | data_image0
_chemical_formula_structural Al10Ni5
_chemical_formula_sum "Al10 Ni5"
_cell_length_a 10.01121256
_cell_length_b 10.01121256
_cell_length_c 10.01121108
_cell_angle_alpha 42.44124238
_cell_angle_beta 42.44124238
_cell_angle_gamma 42.44124581000001
_space_group_n... |
DeleteAroundAtomAction | 06bf9726-536e-4bf8-9b74-30afaa82cc1a | mp-1516887 | Delete all atoms within 3.779 angstrom around the atom at index 3 in the cif file. | data_image0
_chemical_formula_structural Eu2NiWO6
_chemical_formula_sum "Eu2 Ni1 W1 O6"
_cell_length_a 5.64240589
_cell_length_b 5.64240589
_cell_length_c 5.64240589
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
... | data_image0
_chemical_formula_structural Ni
_chemical_formula_sum "Ni1"
_cell_length_a 5.64240589
_cell_length_b 5.64240589
_cell_length_c 5.64240589
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
_space_group_na... |
DeleteAroundAtomAction | e7d3880d-fec4-4497-a873-41e6fe04ec9a | mp-24473 | Delete all atoms within 1.124 angstrom around the atom at index 24 in the cif file. | data_image0
_chemical_formula_structural Be4P4H16N4O16
_chemical_formula_sum "Be4 P4 H16 N4 O16"
_cell_length_a 4.92650173
_cell_length_b 8.58708058
_cell_length_c 8.70990538
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Be4P4H12N3O16
_chemical_formula_sum "Be4 P4 H12 N3 O16"
_cell_length_a 4.92650173
_cell_length_b 8.58708058
_cell_length_c 8.70990538
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
DeleteAroundAtomAction | 55858063-cb92-4431-878a-9e48e17bfcb9 | mp-1040902 | Delete all atoms within 3.274 angstrom around the atom at index 39 in the cif file. | data_image0
_chemical_formula_structural Mg4Cr8P8O32
_chemical_formula_sum "Mg4 Cr8 P8 O32"
_cell_length_a 9.2256249
_cell_length_b 9.2256249
_cell_length_c 16.48756714
_cell_angle_alpha 61.10839695
_cell_angle_beta 61.10839695
_cell_angle_gamma 31.811494750000012
_space_... | data_image0
_chemical_formula_structural Mg3Cr8P7O25
_chemical_formula_sum "Mg3 Cr8 P7 O25"
_cell_length_a 9.2256249
_cell_length_b 9.2256249
_cell_length_c 16.48756714
_cell_angle_alpha 61.10839695
_cell_angle_beta 61.10839695
_cell_angle_gamma 31.811494750000012
_space_... |
DeleteAroundAtomAction | c77caff0-2f03-4ed5-bd8e-9297d29f678f | mp-1028063 | Delete all atoms within 3.222 angstrom around the atom at index 15 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 | cf11c639-1df6-4b4a-96e6-ebce5fa4414b | mp-1040902 | Delete all atoms within 2.365 angstrom around the atom at index 17 in the cif file. | data_image0
_chemical_formula_structural Mg4Cr8P8O32
_chemical_formula_sum "Mg4 Cr8 P8 O32"
_cell_length_a 9.2256249
_cell_length_b 9.2256249
_cell_length_c 16.48756714
_cell_angle_alpha 61.10839695
_cell_angle_beta 61.10839695
_cell_angle_gamma 31.811494750000012
_space_... | data_image0
_chemical_formula_structural Mg4Cr8P7O28
_chemical_formula_sum "Mg4 Cr8 P7 O28"
_cell_length_a 9.2256249
_cell_length_b 9.2256249
_cell_length_c 16.48756714
_cell_angle_alpha 61.10839695
_cell_angle_beta 61.10839695
_cell_angle_gamma 31.811494750000012
_space_... |
DeleteAroundAtomAction | 3cefdde6-eb51-4e33-bda1-a7f38a16d7da | mp-1194492 | Delete all atoms within 2.528 angstrom around the atom at index 15 in the cif file. | data_image0
_chemical_formula_structural Al4Te2S2O18
_chemical_formula_sum "Al4 Te2 S2 O18"
_cell_length_a 9.533672
_cell_length_b 5.032037
_cell_length_c 7.23496088
_cell_angle_alpha 86.72028688999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Al2TeS2O14
_chemical_formula_sum "Al2 Te1 S2 O14"
_cell_length_a 9.533672
_cell_length_b 5.032037
_cell_length_c 7.23496088
_cell_angle_alpha 86.72028688999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
DeleteAroundAtomAction | 4ef00577-f12e-46dd-8e9d-15c93ac4796d | mp-2228468 | Delete all atoms within 3.402 angstrom around the atom at index 11 in the cif file. | data_image0
_chemical_formula_structural K2MgFe4O7
_chemical_formula_sum "K2 Mg1 Fe4 O7"
_cell_length_a 5.23201274
_cell_length_b 5.24588937
_cell_length_c 8.378485240000002
_cell_angle_alpha 90.22688139999998
_cell_angle_beta 89.88624041
_cell_angle_gamma 120.087831429999... | data_image0
_chemical_formula_structural K2FeO
_chemical_formula_sum "K2 Fe1 O1"
_cell_length_a 5.23201274
_cell_length_b 5.24588937
_cell_length_c 8.378485240000002
_cell_angle_alpha 90.22688139999998
_cell_angle_beta 89.88624041
_cell_angle_gamma 120.08783142999998
_spa... |
DeleteAroundAtomAction | 2fff7ad6-35dc-492d-8219-584c344ad7b8 | mp-28131 | Delete all atoms within 3.741 angstrom around the atom at index 1 in the cif file. | data_image0
_chemical_formula_structural C4Se16Br8
_chemical_formula_sum "C4 Se16 Br8"
_cell_length_a 4.37646079
_cell_length_b 8.5751867
_cell_length_c 21.39891138
_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 C3Se12Br6
_chemical_formula_sum "C3 Se12 Br6"
_cell_length_a 4.37646079
_cell_length_b 8.5751867
_cell_length_c 21.39891138
_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 | 90c988f7-b387-443d-9989-8c72279a9d79 | mp-674849 | Delete all atoms within 3.126 angstrom around the atom at index 8 in the cif file. | data_image0
_chemical_formula_structural Tl2Bi2F8
_chemical_formula_sum "Tl2 Bi2 F8"
_cell_length_a 3.70604173
_cell_length_b 8.34217287
_cell_length_c 6.30028742
_cell_angle_alpha 97.25011112
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... | data_image0
_chemical_formula_structural TlBiF3
_chemical_formula_sum "Tl1 Bi1 F3"
_cell_length_a 3.70604173
_cell_length_b 8.34217287
_cell_length_c 6.30028742
_cell_angle_alpha 97.25011112
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
DeleteAroundAtomAction | 51717d88-795c-497e-a83a-85519f299016 | mp-1225526 | Delete all atoms within 3.975 angstrom around the atom at index 17 in the cif file. | data_image0
_chemical_formula_structural Eu4Ga8As8
_chemical_formula_sum "Eu4 Ga8 As8"
_cell_length_a 4.0458443
_cell_length_b 9.48302424
_cell_length_c 12.43216053
_cell_angle_alpha 95.17219509
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Eu2Ga6As6
_chemical_formula_sum "Eu2 Ga6 As6"
_cell_length_a 4.0458443
_cell_length_b 9.48302424
_cell_length_c 12.43216053
_cell_angle_alpha 95.17219509
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
DeleteAroundAtomAction | 3d411959-b251-4f19-9ab8-0f2d1ba3d348 | mp-1228691 | Delete all atoms within 2.729 angstrom around the atom at index 9 in the cif file. | data_image0
_chemical_formula_structural Al4GaSb5
_chemical_formula_sum "Al4 Ga1 Sb5"
_cell_length_a 11.65411469
_cell_length_b 11.65411469
_cell_length_c 11.65411469
_cell_angle_alpha 158.18816389000003
_cell_angle_beta 149.02009783
_cell_angle_gamma 38.20925421
_space_g... | data_image0
_chemical_formula_structural Al2Sb4
_chemical_formula_sum "Al2 Sb4"
_cell_length_a 11.65411469
_cell_length_b 11.65411469
_cell_length_c 11.65411469
_cell_angle_alpha 158.18816389000003
_cell_angle_beta 149.02009783
_cell_angle_gamma 38.20925421
_space_group_n... |
DeleteAroundAtomAction | e89d6131-018f-4fa0-a32a-347eacedd3d9 | mp-1030107 | Delete all atoms within 3.133 angstrom around the atom at index 6 in the cif file. | data_image0
_chemical_formula_structural Te6MoW3Se2
_chemical_formula_sum "Te6 Mo1 W3 Se2"
_cell_length_a 3.49799566
_cell_length_b 3.49799566
_cell_length_c 39.67632
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999347999999
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural Te4W3Se2
_chemical_formula_sum "Te4 W3 Se2"
_cell_length_a 3.49799566
_cell_length_b 3.49799566
_cell_length_c 39.67632
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999347999999
_space_group_name_H-M_alt ... |
DeleteAroundAtomAction | ff434021-d951-4116-bcac-924ed598be59 | mp-1193261 | Delete all atoms within 2.182 angstrom around the atom at index 21 in the cif file. | data_image0
_chemical_formula_structural Cs4H4C4N8O8
_chemical_formula_sum "Cs4 H4 C4 N8 O8"
_cell_length_a 4.875682
_cell_length_b 13.717342
_cell_length_c 7.961561659999999
_cell_angle_alpha 90.0
_cell_angle_beta 97.09784046
_cell_angle_gamma 90.0
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Cs4H4C4N7O7
_chemical_formula_sum "Cs4 H4 C4 N7 O7"
_cell_length_a 4.875682
_cell_length_b 13.717342
_cell_length_c 7.961561659999999
_cell_angle_alpha 90.0
_cell_angle_beta 97.09784046
_cell_angle_gamma 90.0
_space_group_name_H-M_... |
DeleteAroundAtomAction | cdbfc0d2-3d73-4600-b352-86641753aaf0 | mp-1195825 | Delete all atoms within 2.31 angstrom around the atom at index 12 in the cif file. | data_image0
_chemical_formula_structural Si12Br24
_chemical_formula_sum "Si12 Br24"
_cell_length_a 10.66445078
_cell_length_b 10.66445078
_cell_length_c 14.661101599999999
_cell_angle_alpha 72.55431714
_cell_angle_beta 72.55431714
_cell_angle_gamma 57.585469849999996
_spa... | data_image0
_chemical_formula_structural Si11Br23
_chemical_formula_sum "Si11 Br23"
_cell_length_a 10.66445078
_cell_length_b 10.66445078
_cell_length_c 14.661101599999999
_cell_angle_alpha 72.55431714
_cell_angle_beta 72.55431714
_cell_angle_gamma 57.585469849999996
_spa... |
DeleteAroundAtomAction | 4e9cab47-b540-46af-8006-6f7ff314e506 | mp-14485 | Delete all atoms within 2.513 angstrom around the atom at index 20 in the cif file. | data_image0
_chemical_formula_structural La2Ta14O38
_chemical_formula_sum "La2 Ta14 O38"
_cell_length_a 6.25040787
_cell_length_b 6.250408
_cell_length_c 20.044161369999998
_cell_angle_alpha 89.99992227
_cell_angle_beta 89.99994067
_cell_angle_gamma 119.99979361999999
_sp... | data_image0
_chemical_formula_structural LaTa12O37
_chemical_formula_sum "La1 Ta12 O37"
_cell_length_a 6.25040787
_cell_length_b 6.250408
_cell_length_c 20.044161369999998
_cell_angle_alpha 89.99992227
_cell_angle_beta 89.99994067
_cell_angle_gamma 119.99979361999999
_spa... |
DeleteAroundAtomAction | eb64590f-8a42-477d-94cf-9e4dd9284be8 | mp-771907 | Delete all atoms within 3.183 angstrom around the atom at index 26 in the cif file. | data_image0
_chemical_formula_structural Li4Mn5Sn3O16
_chemical_formula_sum "Li4 Mn5 Sn3 O16"
_cell_length_a 6.09524183
_cell_length_b 6.09524183
_cell_length_c 9.86586282
_cell_angle_alpha 89.44622145
_cell_angle_beta 89.44622145
_cell_angle_gamma 60.38381201
_space_grou... | data_image0
_chemical_formula_structural Li3Mn2Sn3O9
_chemical_formula_sum "Li3 Mn2 Sn3 O9"
_cell_length_a 6.09524183
_cell_length_b 6.09524183
_cell_length_c 9.86586282
_cell_angle_alpha 89.44622145
_cell_angle_beta 89.44622145
_cell_angle_gamma 60.38381201
_space_group_... |
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