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{
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"structure_string": "Li3 V6 O16\n1.0\n0.000000 6.690161 -0.017287\n3.613323 0.000000 0.000000\n0.000000 -3.043476 -11.470299\nLi V O\n3 6 16\ndirect\n0.817283 0.500000 0.319118 Li\n0.184301 0.000000 0.677085 Li\n0.527356 0.500000 0.951154 Li\n0.268509 0.500000 0.196902 V\n0.696693 0.000000 0.536165 V\n0.117773 0.500000 0.918076 V\n0.877245 0.000000 0.084467 V\n0.306237 0.500000 0.463714 V\n0.733420 0.000000 0.801375 V\n0.392715 0.000000 0.459038 O\n0.497776 0.000000 0.718039 O\n0.127338 0.500000 0.327095 O\n0.176047 0.500000 0.563812 O\n0.938043 0.500000 0.068446 O\n0.249289 0.500000 0.817646 O\n0.765803 0.000000 0.191840 O\n0.503022 0.500000 0.279865 O\n0.828276 0.000000 0.437096 O\n0.876421 0.000000 0.673205 O\n0.662690 0.000000 0.951918 O\n0.610552 0.500000 0.540604 O\n0.325638 0.500000 0.046149 O\n0.182930 0.000000 0.173704 O\n0.047231 0.000000 0.927748 O\n0.810233 0.500000 0.825571 O\n",
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{
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"structure_string": "Nd3 Ga6 Co9\n1.0\n8.958069 -0.000000 -0.000000\n-4.479033 7.757916 0.000000\n0.000000 0.000000 3.992717\nNd Ga Co\n3 6 9\ndirect\n0.333333 0.666667 0.000000 Nd\n0.000000 0.000000 0.000000 Nd\n0.666667 0.333333 0.000000 Nd\n0.347055 0.173528 0.500000 Ga\n0.826472 0.173528 0.500000 Ga\n0.826473 0.652945 0.500000 Ga\n0.173528 0.347056 0.500000 Ga\n0.173528 0.826473 0.500000 Ga\n0.652945 0.826473 0.500000 Ga\n0.500000 0.000000 0.500000 Co\n0.345151 0.000000 0.000000 Co\n0.000000 0.345151 0.000000 Co\n0.654850 0.654850 0.000000 Co\n0.000000 0.654850 0.000000 Co\n0.345151 0.345151 0.000000 Co\n0.654849 0.000000 0.000000 Co\n0.500000 0.500000 0.500000 Co\n0.000000 0.500000 0.500000 Co\n",
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{
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"structure_string": "Ca4 Ta2 Bi2 O12\n1.0\n0.000000 5.757110 -0.002174\n8.071642 0.000000 0.000000\n0.000000 -0.106776 -5.971235\nCa Ta Bi O\n4 2 2 12\ndirect\n0.988555 0.750000 0.943845 Ca\n0.499783 0.750000 0.445494 Ca\n0.500217 0.250000 0.554506 Ca\n0.011444 0.250000 0.056155 Ca\n-0.000000 0.000000 0.500000 Ta\n-0.000000 0.500000 0.500000 Ta\n0.500000 0.000000 -0.000000 Bi\n0.500000 0.500000 -0.000000 Bi\n0.844855 0.942085 0.210982 O\n0.350647 0.750000 0.080121 O\n0.155144 0.057915 0.789018 O\n0.709944 0.941023 0.660269 O\n0.290056 0.441023 0.339731 O\n0.709944 0.558977 0.660269 O\n0.290056 0.058977 0.339731 O\n0.844855 0.557915 0.210982 O\n0.649352 0.250000 0.919879 O\n0.155144 0.442085 0.789018 O\n0.897067 0.250000 0.452636 O\n0.102932 0.750000 0.547364 O\n",
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{
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"created_at": "2022-09-04T14:36:56.325649Z",
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"structure_string": "Mg2 Cd2 Te4\n1.0\n5.951425 0.000757 -5.339196\n-1.185008 5.832256 -5.339196\n-0.000619 -0.000757 7.995403\nMg Cd Te\n2 2 4\ndirect\n0.750000 0.250000 0.500000 Mg\n0.000000 0.000000 0.000000 Mg\n0.250000 0.750000 0.499999 Cd\n0.500000 0.500001 0.000000 Cd\n0.632536 0.625000 0.507536 Te\n0.117464 0.125000 0.492463 Te\n0.875000 0.367464 0.992463 Te\n0.375000 0.882537 0.007536 Te\n",
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{
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"structure_string": "Pr4 Sn4 Ru4\n1.0\n4.885626 -0.000000 0.000000\n0.000000 7.403383 0.000000\n0.000000 0.000000 7.672179\nPr Sn Ru\n4 4 4\ndirect\n0.250000 0.810091 0.468386 Pr\n0.750001 0.189908 0.531614 Pr\n0.750001 0.310091 0.031614 Pr\n0.250000 0.689908 0.968386 Pr\n0.750001 0.611144 0.695875 Sn\n0.750001 0.888855 0.195875 Sn\n0.250000 0.111144 0.804125 Sn\n0.250000 0.388856 0.304125 Sn\n0.750001 0.557987 0.347712 Ru\n0.750001 0.942012 0.847712 Ru\n0.250000 0.057988 0.152289 Ru\n0.250000 0.442012 0.652289 Ru\n",
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{
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"created_at": "2022-09-04T14:37:02.543697Z",
"updated_at": "2022-09-04T14:37:02.543726Z",
"structure_string": "Li6 Ti2 P4 O16\n1.0\n0.000000 4.936397 0.009271\n8.902324 0.000000 0.000000\n0.000000 -4.423147 -6.323300\nLi Ti P O\n6 2 4 16\ndirect\n0.319639 0.137147 0.310627 Li\n0.000000 0.500000 0.000000 Li\n0.680362 0.637147 0.189374 Li\n-0.000000 0.000000 0.500000 Li\n0.319639 0.362853 0.810627 Li\n0.680361 0.862853 0.689374 Li\n0.500000 0.500000 0.500000 Ti\n0.500000 0.000000 0.000000 Ti\n0.189905 0.817959 0.216828 P\n0.810095 0.317959 0.283172 P\n0.189905 0.682041 0.716828 P\n0.810095 0.182041 0.783172 P\n0.476439 0.646451 0.691272 O\n0.853519 0.867204 0.012015 O\n0.523561 0.146451 0.808728 O\n0.146481 0.367204 0.487985 O\n0.745565 0.401734 0.091266 O\n0.832861 0.144833 0.256796 O\n0.167139 0.855167 0.743204 O\n0.745564 0.098266 0.591266 O\n0.853519 0.632796 0.512015 O\n0.476439 0.853549 0.191272 O\n0.146481 0.132796 0.987985 O\n0.523561 0.353549 0.308728 O\n0.254436 0.901734 0.408734 O\n0.832861 0.355167 0.756796 O\n0.254436 0.598266 0.908734 O\n0.167139 0.644833 0.243204 O\n",
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{
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"created_at": "2022-09-04T14:37:44.721086Z",
"updated_at": "2022-09-04T14:37:44.721098Z",
"structure_string": "Rb4 H8 O4 F4\n1.0\n4.169622 -0.000000 0.000000\n-0.000000 7.957642 0.000000\n0.000000 0.000000 8.363844\nRb H O F\n4 8 4 4\ndirect\n0.750000 0.256215 0.046068 Rb\n0.250000 0.743785 0.953932 Rb\n0.750000 0.756215 0.453932 Rb\n0.250000 0.243785 0.546067 Rb\n0.558756 0.468387 0.764490 H\n0.058756 0.531613 0.235509 H\n0.441244 0.031613 0.264491 H\n0.941244 0.968386 0.735509 H\n0.941244 0.468387 0.764490 H\n0.058756 0.031613 0.264491 H\n0.558756 0.968386 0.735509 H\n0.441244 0.531613 0.235509 H\n0.750000 0.506484 0.701629 O\n0.250000 0.493516 0.298371 O\n0.750000 0.006484 0.798371 O\n0.250000 0.993516 0.201629 O\n0.750000 0.601983 0.140152 F\n0.750000 0.101983 0.359848 F\n0.250000 0.898017 0.640151 F\n0.250000 0.398017 0.859848 F\n",
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{
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"created_at": "2022-09-04T14:38:47.238906Z",
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"structure_string": "Nd3 Sn7\n1.0\n13.316902 0.063619 0.000000\n-12.556070 4.437230 0.000000\n0.000000 0.000000 4.634125\nNd Sn\n3 7\ndirect\n0.814394 0.185606 -0.000000 Nd\n0.185606 0.814394 -0.000000 Nd\n0.000000 0.000000 0.000000 Nd\n0.904060 0.095940 0.500001 Sn\n0.095940 0.904060 0.500001 Sn\n0.711170 0.288830 0.500001 Sn\n0.288830 0.711170 0.500001 Sn\n0.595294 0.404706 -0.000000 Sn\n0.404706 0.595294 -0.000000 Sn\n0.500000 0.500000 0.500001 Sn\n",
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{
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"structure_string": "Ga1 Sn7\n1.0\n6.522970 0.000000 -0.000000\n-0.000000 6.522970 0.000000\n0.000000 0.000000 6.522970\nGa Sn\n1 7\ndirect\n0.000000 0.000000 0.500000 Ga\n0.239070 0.239070 0.739070 Sn\n0.000000 0.500000 0.000000 Sn\n0.239070 0.760930 0.260930 Sn\n0.500000 0.000000 0.000000 Sn\n0.760930 0.239070 0.260930 Sn\n0.500000 0.500000 0.500000 Sn\n0.760930 0.760930 0.739070 Sn\n",
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{
"id": "jvasp-120736",
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"structure_string": "Nb6 Cd1 S8\n1.0\n9.746263 -0.000000 0.000000\n-4.873132 8.440511 0.000000\n0.000000 0.000000 3.374004\nNb Cd S\n6 1 8\ndirect\n0.112024 0.626312 0.249972 Nb\n0.514289 0.887976 0.249972 Nb\n0.373687 0.485711 0.249972 Nb\n0.887976 0.373687 0.750027 Nb\n0.485711 0.112024 0.750027 Nb\n0.626312 0.514289 0.750027 Nb\n0.000000 0.000000 0.499999 Cd\n0.666667 0.333333 0.249690 S\n0.333333 0.666667 0.750309 S\n0.285829 0.941396 0.249817 S\n0.655568 0.714171 0.249817 S\n0.058604 0.344432 0.249817 S\n0.714171 0.058604 0.750182 S\n0.344432 0.285829 0.750182 S\n0.941396 0.655568 0.750182 S\n",
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{
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"structure_string": "Li4 Ti2 V3 Cr3 O16\n1.0\n5.819213 0.001316 -0.000446\n-2.909545 -5.040913 0.005644\n-0.048175 0.017256 -9.463685\nLi Ti V Cr O\n4 2 3 3 16\ndirect\n0.659706 0.329859 0.103751 Li\n0.001270 0.000640 0.005410 Li\n0.004019 0.002046 0.505126 Li\n0.328117 0.664065 0.607425 Li\n0.669425 0.334745 0.505439 Ti\n0.335250 0.667621 0.002489 Ti\n0.172868 0.821171 0.283211 V\n0.348967 0.174472 0.780811 V\n0.172855 0.351723 0.283207 V\n0.662777 0.831407 0.286702 Cr\n0.827331 0.658566 0.785616 Cr\n0.827330 0.168773 0.785615 Cr\n0.666356 0.833181 0.903832 O\n0.167465 0.833968 0.902214 O\n0.335011 0.667522 0.401262 O\n0.479576 0.519772 0.160758 O\n0.479575 0.959824 0.160755 O\n0.334581 0.167313 0.400849 O\n0.515497 0.034868 0.657926 O\n0.957286 0.478645 0.661979 O\n0.837214 0.169935 0.403409 O\n0.005174 0.002602 0.193865 O\n0.003656 0.001832 0.693348 O\n0.659245 0.329629 0.897567 O\n0.029257 0.514640 0.156025 O\n0.837219 0.667328 0.403419 O\n0.515495 0.480632 0.657929 O\n0.167463 0.333495 0.902217 O\n",
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{
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"created_at": "2022-09-04T14:38:30.412160Z",
"updated_at": "2022-09-04T14:38:30.412191Z",
"structure_string": "Li6 Yb2 P2 C2 O14\n1.0\n0.000000 4.902428 -0.189595\n6.550561 0.000000 0.000000\n0.000000 0.295058 -8.655568\nYb Li P C O\n2 6 2 2 14\ndirect\n0.067211 0.221442 0.707168 Yb\n0.932789 0.721442 0.292832 Yb\n-0.000018 0.524204 0.984943 Li\n0.472043 0.853787 0.845673 Li\n0.583807 0.501813 0.550812 Li\n0.416194 0.001813 0.449188 Li\n0.527958 0.353787 0.154326 Li\n0.000018 0.024204 0.015057 Li\n-0.025377 0.263057 0.308423 P\n0.025377 0.763057 0.691578 P\n0.556657 0.249834 0.855632 C\n0.443344 0.749834 0.144367 C\n0.142293 0.401967 0.189907 O\n0.885441 0.061982 0.233588 O\n0.415697 0.792073 0.291706 O\n0.713330 0.389397 0.356208 O\n0.143161 0.217180 0.448063 O\n0.856839 0.717180 0.551936 O\n0.755233 0.283255 0.942987 O\n0.584303 0.292074 0.708293 O\n0.114559 0.561982 0.766411 O\n0.857707 0.901967 0.810093 O\n0.334015 0.165403 0.912798 O\n0.665985 0.665403 0.087202 O\n0.286670 0.889397 0.643792 O\n0.244767 0.783255 0.057013 O\n",
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}