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{
"id": "jvasp-102192",
"created_at": "2022-09-04T14:36:45.106191Z",
"updated_at": "2022-09-04T14:36:45.106210Z",
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{
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{
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"updated_at": "2022-09-04T14:36:46.004398Z",
"structure_string": "Pd1 Se2 Br6\n1.0\n4.655152 -0.134872 -0.123127\n-0.413425 7.000646 0.003691\n-1.029467 -2.515726 8.539883\nPd Se Br\n1 2 6\ndirect\n0.000000 0.500000 0.500000 Pd\n0.661365 0.260889 0.288119 Se\n0.338635 0.739111 0.711880 Se\n0.325002 0.638954 0.347786 Br\n0.674998 0.361046 0.652213 Br\n0.737853 0.306874 0.043785 Br\n0.077726 0.020439 0.714976 Br\n0.922273 -0.020439 0.285023 Br\n0.262146 0.693126 0.956214 Br\n",
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"elements": [
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"spacegroup": 2
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{
"id": "jvasp-22689",
"created_at": "2022-09-04T14:36:53.479671Z",
"updated_at": "2022-09-04T14:36:53.479755Z",
"structure_string": "Ba2 H6 Ru1\n1.0\n4.024417 4.024417 0.000000\n-0.000000 4.024417 4.024417\n4.024417 0.000000 4.024417\nBa H Ru\n2 6 1\ndirect\n0.750001 0.750001 0.750001 Ba\n0.250000 0.250000 0.250000 Ba\n0.217246 0.782755 0.782755 H\n0.217246 0.217246 0.782755 H\n0.217246 0.782755 0.217246 H\n0.782755 0.217246 0.217246 H\n0.782755 0.782755 0.217246 H\n0.782755 0.217246 0.782755 H\n0.000000 0.000000 0.000000 Ru\n",
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{
"id": "jvasp-102226",
"created_at": "2022-09-04T14:36:58.281838Z",
"updated_at": "2022-09-04T14:36:58.281858Z",
"structure_string": "Ca1 B2 C6\n1.0\n5.027229 0.020972 3.814228\n3.059792 4.002019 1.292462\n-0.010478 0.021202 5.106690\nCa B C\n1 2 6\ndirect\n-0.002294 -0.002294 0.002294 Ca\n0.092337 0.575818 0.424182 B\n0.575819 0.092337 0.907662 B\n0.082483 0.082482 0.417517 C\n0.582482 0.582482 0.917518 C\n0.921643 0.921643 0.578357 C\n0.421643 0.421643 0.078357 C\n0.914483 0.411456 0.588544 C\n0.411456 0.914483 0.085517 C\n",
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{
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"created_at": "2022-09-04T14:36:45.299444Z",
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"structure_string": "Sc6 Mn1 Te2\n1.0\n7.664319 -0.000000 0.000000\n-3.832159 6.637495 0.000000\n-0.000000 -0.000000 3.842149\nSc Mn Te\n6 1 2\ndirect\n0.230731 0.000000 0.500000 Sc\n0.000000 0.230731 0.500000 Sc\n0.769270 0.769270 0.500000 Sc\n0.616679 0.000000 -0.000000 Sc\n0.000000 0.616680 -0.000000 Sc\n0.383321 0.383321 -0.000000 Sc\n0.000000 0.000000 0.000000 Mn\n0.333334 0.666667 0.500000 Te\n0.666667 0.333334 0.500000 Te\n",
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"created_at": "2022-09-04T14:36:50.609961Z",
"updated_at": "2022-09-04T14:36:50.609973Z",
"structure_string": "Na6 Ge3 F18\n1.0\n4.731571 -8.195322 0.000000\n4.731571 8.195322 0.000000\n-0.000000 0.000000 4.578219\nNa Ge F\n6 3 18\ndirect\n0.342707 0.342707 0.000000 Na\n0.000000 0.657292 0.000000 Na\n0.657292 0.000000 0.000000 Na\n0.657292 0.657292 0.000000 Na\n1.000000 0.342707 0.000000 Na\n0.342707 1.000000 0.000000 Na\n0.333333 0.666667 0.502976 Ge\n0.000000 0.000000 0.000000 Ge\n0.666667 0.333333 0.497024 Ge\n0.093969 0.906030 0.219770 F\n0.240798 0.759202 0.729930 F\n0.906030 0.093969 0.780231 F\n0.906030 0.812061 0.780231 F\n0.187939 0.093969 0.780231 F\n0.812061 0.906030 0.219770 F\n0.093969 0.187939 0.219770 F\n0.481595 0.240798 0.270071 F\n0.425956 0.851912 0.275114 F\n0.759202 0.240798 0.270071 F\n0.425956 0.574044 0.275114 F\n0.240798 0.481595 0.729930 F\n0.148088 0.574044 0.275114 F\n0.851912 0.425956 0.724886 F\n0.574044 0.148088 0.724886 F\n0.574044 0.425956 0.724886 F\n0.759202 0.518405 0.270071 F\n0.518405 0.759202 0.729930 F\n",
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{
"id": "jvasp-11137",
"created_at": "2022-09-04T14:36:53.143724Z",
"updated_at": "2022-09-04T14:36:53.143735Z",
"structure_string": "Ti2 P4 S12\n1.0\n6.672968 -0.070113 -1.234195\n-2.785063 6.064392 -1.234195\n-0.065457 -0.100920 11.226196\nTi P S\n2 4 12\ndirect\n0.600351 0.100351 0.200701 Ti\n0.850351 0.850351 0.700700 Ti\n0.638267 0.512082 0.376619 P\n0.738353 0.864538 0.376619 P\n0.614538 0.988353 0.876619 P\n0.262082 0.888267 0.876619 P\n0.668188 0.709671 0.856970 S\n0.188783 0.147299 0.856970 S\n0.985228 0.030284 0.543766 S\n0.558539 0.513483 0.543766 S\n0.780283 0.235228 0.043766 S\n0.375757 0.308141 0.224793 S\n0.849037 0.916651 0.224793 S\n0.666651 0.099037 0.724793 S\n0.058141 0.625757 0.724793 S\n0.459671 0.918187 0.356970 S\n0.897300 0.438783 0.356970 S\n0.263483 0.808538 0.043766 S\n",
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{
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"created_at": "2022-09-04T14:36:52.325445Z",
"updated_at": "2022-09-04T14:36:52.325458Z",
"structure_string": "Ti2 Si4 O12\n1.0\n6.327398 0.018657 -1.655214\n-0.245640 6.322655 1.655214\n-0.000164 0.000158 5.354514\nTi Si O\n2 4 12\ndirect\n0.893116 0.893116 0.250000 Ti\n0.106885 0.106885 0.749999 Ti\n0.785688 0.382612 0.246804 Si\n0.617389 0.214313 0.746804 Si\n0.382612 0.785689 0.253195 Si\n0.214313 0.617389 0.753195 Si\n0.954207 0.186633 0.365390 O\n0.813369 0.045794 0.865390 O\n0.898745 0.619134 0.222070 O\n0.045794 0.813369 0.634609 O\n0.649848 0.366557 0.953125 O\n0.350154 0.633444 0.046874 O\n0.619134 0.898745 0.277929 O\n0.366557 0.649847 0.546874 O\n0.101256 0.380867 0.777929 O\n0.186632 0.954207 0.134609 O\n0.380867 0.101256 0.722070 O\n0.633444 0.350154 0.453125 O\n",
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{
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"created_at": "2022-09-04T14:36:46.080328Z",
"updated_at": "2022-09-04T14:36:46.080352Z",
"structure_string": "Y1 U2 O6\n1.0\n4.907769 0.001182 -4.357084\n-0.494329 3.618985 -5.452427\n-0.005244 -0.001182 6.562800\nY U O\n1 2 6\ndirect\n0.000000 0.000000 0.000000 Y\n0.664824 0.664824 0.000001 U\n0.335176 0.335176 0.000000 U\n0.257158 0.500001 0.757158 O\n0.916431 0.169795 0.746636 O\n0.576841 0.830206 0.746637 O\n0.742843 0.500000 0.242844 O\n0.423160 0.169795 0.253365 O\n0.083570 0.830206 0.253365 O\n",
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{
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"created_at": "2022-09-04T14:36:52.719391Z",
"updated_at": "2022-09-04T14:36:52.719419Z",
"structure_string": "Cu2 Sb4 O12\n1.0\n0.000000 4.711928 0.001502\n4.711226 0.000000 0.000000\n0.000000 -4.709373 -9.431747\nCu Sb O\n2 4 12\ndirect\n0.000000 0.000000 0.000000 Cu\n0.000000 0.500000 0.500000 Cu\n0.332440 0.499978 0.832437 Sb\n0.667563 -0.000022 0.667563 Sb\n0.332439 0.000022 0.332437 Sb\n0.667562 0.500023 0.167563 Sb\n0.308585 0.191666 0.500000 O\n0.691416 0.691666 -0.000000 O\n0.691417 0.808335 0.500000 O\n0.308585 0.308334 0.000000 O\n0.025807 0.697239 0.328910 O\n0.632035 0.197207 0.828915 O\n0.367967 0.697207 0.671085 O\n0.974194 0.302761 0.671091 O\n0.632034 0.302794 0.328915 O\n0.367967 0.802794 0.171085 O\n0.974194 0.197239 0.171090 O\n0.025808 0.802762 0.828910 O\n",
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{
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"created_at": "2022-09-04T14:36:52.199453Z",
"updated_at": "2022-09-04T14:36:52.199478Z",
"structure_string": "Sr4 Ca2 I12\n1.0\n-7.708696 0.003332 -0.001621\n-0.003429 -8.381447 -0.462686\n3.852972 3.049779 12.039046\nSr Ca I\n4 2 12\ndirect\n0.629598 0.811851 0.652340 Sr\n0.025768 0.311841 0.652339 Sr\n0.976929 0.688813 0.347046 Sr\n0.373119 0.188788 0.347032 Sr\n0.333957 0.750327 -0.000316 Ca\n0.668745 0.250336 -0.000312 Ca\n0.069416 0.352404 0.174337 I\n0.107938 0.852414 0.174341 I\n0.737755 0.476276 0.468003 I\n0.733259 0.976278 0.468010 I\n0.269463 0.024373 0.531373 I\n0.933284 0.648241 0.825059 I\n0.894799 0.148218 0.825044 I\n0.567295 0.565277 0.165000 I\n0.435400 0.435385 0.834375 I\n0.401969 0.935397 0.834372 I\n0.264935 0.524372 0.531378 I\n0.600738 0.065271 0.164998 I\n",
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}