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{
"id": "jvasp-29572",
"created_at": "2022-09-04T14:37:31.935975Z",
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"structure_string": "Ag2 Bi2 P4 Se12\n1.0\n6.522120 -0.002664 12.260264\n3.056082 5.761807 12.260264\n-0.004433 -0.002665 13.887120\nAg Bi P Se\n2 2 4 12\ndirect\n0.595742 0.595743 0.595742 Ag\n0.404258 0.404258 0.404257 Ag\n0.088154 0.088154 0.088154 Bi\n0.911846 0.911847 0.911846 Bi\n0.722044 0.722045 0.722044 P\n0.779575 0.779575 0.779575 P\n0.220425 0.220425 0.220425 P\n0.277956 0.277956 0.277955 P\n0.497826 0.867651 0.250984 Se\n0.272885 0.993769 0.620576 Se\n0.502174 0.132349 0.749015 Se\n0.620576 0.272885 0.993769 Se\n0.006231 0.379424 0.727115 Se\n0.727115 0.006231 0.379424 Se\n0.379424 0.727116 0.006231 Se\n0.993769 0.620577 0.272884 Se\n0.867651 0.250985 0.497826 Se\n0.749015 0.502174 0.132349 Se\n0.132349 0.749016 0.502173 Se\n0.250985 0.497826 0.867651 Se\n",
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{
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"structure_string": "Rb2 Ag1 Mo1 Cl6\n1.0\n6.277150 -0.000000 3.624114\n2.092383 5.918153 3.624114\n-0.000000 -0.000000 7.248228\nRb Ag Mo Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Ag\n0.000000 0.000000 0.000000 Mo\n0.760677 0.239323 0.239322 Cl\n0.239323 0.239323 0.760677 Cl\n0.239323 0.760677 0.760677 Cl\n0.239323 0.760677 0.239323 Cl\n0.760677 0.239323 0.760677 Cl\n0.760677 0.760677 0.239322 Cl\n",
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{
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"structure_string": "Ba2 Tm1 Re1 O6\n1.0\n5.127214 0.000000 2.960199\n1.709071 4.833984 2.960199\n-0.000000 -0.000000 5.920397\nBa Tm Re O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ba\n0.749999 0.749999 0.750001 Ba\n0.500000 0.500000 0.500001 Tm\n0.000000 0.000000 0.000000 Re\n0.236923 0.763077 0.763078 O\n0.236923 0.763077 0.236923 O\n0.763077 0.236923 0.763078 O\n0.236923 0.236923 0.763078 O\n0.763077 0.236923 0.236924 O\n0.763077 0.763077 0.236924 O\n",
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{
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"created_at": "2022-09-04T14:37:08.807282Z",
"updated_at": "2022-09-04T14:37:08.807300Z",
"structure_string": "Ba2 Ni1 Mo1 O6\n1.0\n4.961672 -0.000005 2.864616\n1.653879 4.677918 2.864628\n-0.000016 -0.000011 5.729251\nBa Ni Mo O\n2 1 1 6\ndirect\n0.750000 0.750001 0.750000 Ba\n0.249999 0.250000 0.249999 Ba\n0.000005 0.000000 0.000000 Ni\n0.500000 0.500001 0.500000 Mo\n0.260029 0.260031 0.739969 O\n0.739967 0.260032 0.739970 O\n0.739967 0.260031 0.260031 O\n0.739967 0.739970 0.260032 O\n0.260030 0.739969 0.260031 O\n0.260030 0.739970 0.739969 O\n",
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{
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"created_at": "2022-09-04T14:37:19.302498Z",
"updated_at": "2022-09-04T14:37:19.302523Z",
"structure_string": "Ti1 Zn1 Bi2 O6\n1.0\n5.287035 0.000000 0.000000\n0.000000 5.287035 -0.000000\n0.000000 0.000000 4.923510\nTi Zn Bi O\n1 1 2 6\ndirect\n0.500000 0.500000 0.415002 Ti\n0.000000 0.000000 0.444644 Zn\n0.000000 0.500000 0.993291 Bi\n0.500000 0.000000 0.993291 Bi\n0.257081 0.257081 0.273959 O\n0.257081 0.742918 0.273959 O\n0.000000 0.000000 0.831191 O\n0.500000 0.500000 0.779749 O\n0.742918 0.742918 0.273959 O\n0.742918 0.257081 0.273959 O\n",
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{
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"updated_at": "2022-09-04T14:37:31.392120Z",
"structure_string": "Li2 Pr4 Ir2 O12\n1.0\n0.000000 5.475844 0.001827\n5.790105 0.000000 0.000000\n0.000000 -5.406891 -7.801317\nLi Pr Ir O\n2 4 2 12\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.500000 Li\n0.767020 0.067101 0.251343 Pr\n0.232980 0.567101 0.248657 Pr\n0.767020 0.432898 0.751343 Pr\n0.232980 0.932898 0.748657 Pr\n0.499999 0.500000 -0.000000 Ir\n0.500000 0.000000 0.500000 Ir\n0.841469 0.193111 0.545177 O\n0.158531 0.693110 0.954823 O\n0.158531 0.806889 0.454823 O\n0.841468 0.306889 0.045177 O\n0.340906 0.522347 0.752712 O\n0.734716 0.788238 0.047550 O\n0.265283 0.211762 0.952450 O\n0.734716 0.711761 0.547550 O\n0.659094 0.477652 0.247288 O\n0.265283 0.288238 0.452450 O\n0.659094 0.022347 0.747288 O\n0.340905 0.977652 0.252712 O\n",
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"formula_full": "Li2 Pr4 Ir2 O12",
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{
"id": "jvasp-102083",
"created_at": "2022-09-04T14:37:10.522493Z",
"updated_at": "2022-09-04T14:37:10.522518Z",
"structure_string": "Na2 Li1 In1 F6\n1.0\n4.949277 -0.000000 2.857466\n1.649759 4.666223 2.857466\n0.000000 -0.000000 5.714933\nNa Li In F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Na\n0.750001 0.750000 0.750000 Na\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 In\n0.256599 0.256598 0.743401 F\n0.256599 0.743401 0.743402 F\n0.743402 0.743401 0.256599 F\n0.256599 0.743401 0.256599 F\n0.743402 0.256598 0.743402 F\n0.743402 0.256598 0.256599 F\n",
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{
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"created_at": "2022-09-04T14:37:06.064445Z",
"updated_at": "2022-09-04T14:37:06.064463Z",
"structure_string": "Sr4 Sc2 Ir2 O12\n1.0\n0.000000 5.695163 0.005457\n5.669969 0.000000 0.000000\n0.000000 -5.675597 -8.033133\nSr Sc Ir O\n4 2 2 12\ndirect\n0.746585 0.481531 0.249577 Sr\n0.253413 0.518469 0.750422 Sr\n0.253414 0.981532 0.250423 Sr\n0.746584 0.018469 0.749577 Sr\n0.000000 0.500000 0.000000 Sc\n-0.000000 0.000000 0.500000 Sc\n0.500000 0.000000 -0.000000 Ir\n0.499999 0.500000 0.500000 Ir\n0.740743 0.719478 0.472603 O\n0.259256 0.219478 0.027397 O\n0.308783 0.730881 0.027417 O\n0.691216 0.230880 0.472582 O\n0.691215 0.269120 0.972582 O\n0.796562 0.005499 0.243829 O\n0.203436 0.994502 0.756170 O\n0.796562 0.494502 0.743829 O\n0.740742 0.780522 0.972603 O\n0.203436 0.505499 0.256170 O\n0.308782 0.769120 0.527417 O\n0.259255 0.280522 0.527397 O\n",
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{
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"created_at": "2022-09-04T14:37:30.252654Z",
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"structure_string": "K1 Rb2 Sc1 F6\n1.0\n5.460841 -0.000000 -3.149758\n-1.816749 5.149778 -3.149758\n0.053916 0.076194 6.402178\nK Rb Sc F\n1 2 1 6\ndirect\n0.500000 0.500000 -0.000000 K\n0.250000 0.750000 0.500000 Rb\n0.750000 0.250000 0.500000 Rb\n0.000000 0.000000 0.000000 Sc\n0.838590 0.721462 -0.000000 F\n0.278538 0.838591 -0.000000 F\n0.721462 0.161410 -0.000000 F\n0.161410 0.278538 -0.000000 F\n0.221854 0.221853 0.443708 F\n0.778146 0.778146 0.556292 F\n",
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"structure_string": "K2 Na1 Ce1 Cl6\n1.0\n6.588984 -0.000000 3.804151\n2.196328 6.212153 3.804151\n-0.000000 -0.000000 7.608303\nK Na Ce Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Ce\n0.747227 0.252772 0.252773 Cl\n0.252773 0.252772 0.747227 Cl\n0.252773 0.747227 0.747227 Cl\n0.252773 0.747227 0.252772 Cl\n0.747227 0.252772 0.747227 Cl\n0.747227 0.747227 0.252772 Cl\n",
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{
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"structure_string": "Ca2 Cr2 Si4 O12\n1.0\n5.157354 -0.005868 1.056897\n1.237638 6.640718 0.594138\n-0.037810 -0.011614 6.781027\nCa Cr Si O\n2 2 4 12\ndirect\n0.750000 0.300762 0.699239 Ca\n0.250001 0.699238 0.300764 Ca\n0.249999 0.095273 0.904729 Cr\n0.749999 0.904730 0.095272 Cr\n0.274101 0.193518 0.379647 Si\n0.225898 0.620354 0.806483 Si\n0.774101 0.379647 0.193518 Si\n0.725899 0.806483 0.620354 Si\n0.639996 0.975460 0.789334 O\n0.860004 0.210665 0.024541 O\n0.672308 0.606531 0.116576 O\n0.827690 0.883426 0.393469 O\n0.327690 0.393468 0.883426 O\n0.982687 0.628063 0.675175 O\n0.017312 0.371937 0.324826 O\n0.482688 0.675175 0.628065 O\n0.360003 0.024541 0.210667 O\n0.517312 0.324827 0.371936 O\n0.172309 0.116574 0.606532 O\n0.139997 0.789335 0.975460 O\n",
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}