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{
"id": "jvasp-57480",
"created_at": "2022-09-04T14:37:09.718025Z",
"updated_at": "2022-09-04T14:37:09.718034Z",
"structure_string": "K2 Li2 Mn2 O4\n1.0\n3.423800 0.000157 -0.000426\n1.711008 5.474179 0.006095\n1.710595 1.262888 7.228084\nK Li Mn O\n2 2 2 4\ndirect\n0.160557 0.312511 0.367108 K\n0.839444 0.687490 0.632892 K\n0.339241 0.375541 0.945860 Li\n0.660761 0.624460 0.054140 Li\n0.951810 0.906247 0.190586 Mn\n0.048192 0.093754 0.809414 Mn\n0.528673 0.247390 0.694854 O\n0.159131 0.736642 0.945120 O\n0.840871 0.263359 0.054880 O\n0.471328 0.752611 0.305145 O\n",
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{
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"structure_string": "Zn4 Sb2 W2 O12\n1.0\n0.000000 5.423247 -0.111601\n5.461467 0.000000 0.000000\n0.000000 -5.074001 -8.072737\nZn Sb W O\n4 2 2 12\ndirect\n0.286292 0.989111 0.256742 Zn\n0.713708 0.489111 0.243258 Zn\n0.713709 0.010889 0.743258 Zn\n0.286293 0.510889 0.756743 Zn\n0.500000 0.000000 -0.000000 Sb\n0.500000 0.500000 0.500000 Sb\n0.000000 0.000000 0.500000 W\n0.000000 0.500000 0.000000 W\n0.667096 0.130266 0.283741 O\n0.332905 0.630267 0.216259 O\n0.733970 0.645337 0.055537 O\n0.266031 0.145337 0.444463 O\n0.266031 0.354663 0.944463 O\n0.968610 0.196437 0.096166 O\n0.031391 0.803563 0.903834 O\n0.968610 0.303563 0.596167 O\n0.332905 0.869734 0.716259 O\n0.031391 0.696438 0.403834 O\n0.733970 0.854663 0.555538 O\n0.667096 0.369734 0.783741 O\n",
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{
"id": "jvasp-103950",
"created_at": "2022-09-04T14:36:58.136253Z",
"updated_at": "2022-09-04T14:36:58.136271Z",
"structure_string": "Hf1 H6 C5 O4\n1.0\n3.472438 -0.011171 0.389889\n1.504844 3.746903 0.588116\n0.052081 -0.000993 8.995598\nHf H C O\n1 6 5 4\ndirect\n0.075810 0.965186 0.328270 Hf\n0.561297 0.098275 0.908667 H\n0.906552 0.301996 0.913474 H\n0.885840 0.577249 0.602463 H\n0.826871 0.170366 0.659219 H\n0.069485 0.655588 0.771267 H\n0.403184 0.877702 0.776177 H\n0.457962 0.491135 0.482844 C\n0.654612 0.455903 0.630399 C\n0.400434 0.458780 0.068231 C\n0.395835 0.613084 0.772633 C\n0.573216 0.361216 0.912547 C\n0.745166 0.566557 0.344936 O\n0.480874 0.143745 0.460646 O\n0.201564 0.774710 0.095683 O\n0.481215 0.198049 0.175168 O\n",
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"formula_full": "Hf1 H6 C5 O4",
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{
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"created_at": "2022-09-04T14:37:09.824606Z",
"updated_at": "2022-09-04T14:37:09.824626Z",
"structure_string": "Ba1 Nd1 Co2 O5\n1.0\n3.914817 -0.000000 0.000000\n0.000000 3.915295 0.000000\n0.000000 0.000000 7.515134\nBa Nd Co O\n1 1 2 5\ndirect\n0.500000 0.499999 0.500000 Ba\n0.500000 0.499999 0.000000 Nd\n0.000000 0.000000 0.759115 Co\n0.000000 0.000000 0.240885 Co\n0.000000 0.000000 0.500000 O\n0.500000 0.000000 0.797728 O\n0.500000 0.000000 0.202271 O\n0.000000 0.499999 0.797697 O\n0.000000 0.499999 0.202302 O\n",
"nsites": 9,
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"formula_full": "Ba1 Nd1 Co2 O5",
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{
"id": "jvasp-57484",
"created_at": "2022-09-04T14:37:14.558284Z",
"updated_at": "2022-09-04T14:37:14.558305Z",
"structure_string": "Sr2 Ti2 Si4 O14\n1.0\n5.059328 0.000000 -1.869518\n0.000000 7.135591 -0.000000\n-0.015274 0.000000 7.739254\nSr Ti Si O\n2 2 4 14\ndirect\n0.801357 0.250000 0.602712 Sr\n0.198645 0.750000 0.397287 Sr\n0.890696 0.750000 0.781389 Ti\n0.109305 0.250000 0.218610 Ti\n0.609805 0.524850 0.219610 Si\n0.609805 0.975150 0.219610 Si\n0.390196 0.024850 0.780390 Si\n0.390196 0.475150 0.780390 Si\n0.992672 0.250000 0.985341 O\n0.595823 0.562710 0.690362 O\n0.905460 0.437290 0.309637 O\n0.500000 0.500000 -0.000000 O\n0.595823 0.937289 0.690362 O\n0.905460 0.062710 0.309637 O\n0.094541 0.937289 0.690362 O\n0.404178 0.062710 0.309638 O\n0.094541 0.562710 0.690362 O\n0.404178 0.437290 0.309638 O\n0.007329 0.750000 0.014658 O\n0.359346 0.250000 0.718690 O\n0.640655 0.750000 0.281310 O\n0.500000 0.000000 -0.000000 O\n",
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"formula_full": "Sr2 Ti2 Si4 O14",
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{
"id": "jvasp-52844",
"created_at": "2022-09-04T14:37:09.659047Z",
"updated_at": "2022-09-04T14:37:09.659066Z",
"structure_string": "Na4 H4 C4 O12\n1.0\n0.000000 3.422984 -0.023299\n9.739693 0.000000 0.000000\n0.000000 -2.915614 -7.427077\nNa H C O\n4 4 4 12\ndirect\n0.424830 0.504096 0.212751 Na\n0.575169 0.004096 0.287249 Na\n0.575170 0.495904 0.787249 Na\n0.424831 0.995904 0.712751 Na\n0.694399 0.741426 0.654375 H\n0.305602 0.241426 0.845626 H\n0.305601 0.258574 0.345625 H\n0.694398 0.758574 0.154375 H\n0.784184 0.261687 0.573322 C\n0.215817 0.761687 0.926679 C\n0.215817 0.738312 0.426679 C\n0.784183 0.238312 0.073321 C\n0.500295 0.328631 0.435335 O\n0.194922 0.868026 0.431235 O\n0.805077 0.368026 0.068766 O\n0.805078 0.131974 0.568766 O\n0.194923 0.631974 0.931235 O\n0.988179 0.662765 0.297026 O\n0.011821 0.162765 0.202975 O\n0.011821 0.337235 0.702975 O\n0.988180 0.837235 0.797026 O\n0.499705 0.671369 0.564666 O\n0.500296 0.171369 0.935335 O\n0.499704 0.828631 0.064665 O\n",
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"formula_full": "Na4 H4 C4 O12",
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{
"id": "jvasp-43390",
"created_at": "2022-09-04T14:37:09.629655Z",
"updated_at": "2022-09-04T14:37:09.629670Z",
"structure_string": "Li4 Cr5 Sb1 O12\n1.0\n5.171833 -0.004549 0.168669\n-2.600999 4.470198 0.168669\n0.328768 0.571085 10.224104\nLi Cr Sb O\n4 5 1 12\ndirect\n0.112211 0.450604 0.710706 Li\n0.549395 0.887789 0.289294 Li\n0.450604 0.112210 0.710706 Li\n0.887789 0.549395 0.289294 Li\n0.162251 0.837748 0.500000 Cr\n0.335123 0.664877 0.000000 Cr\n0.500000 0.500000 0.500000 Cr\n0.664877 0.335123 0.000000 Cr\n0.837748 0.162251 0.500000 Cr\n0.000000 0.000000 0.000000 Sb\n0.808177 0.461790 0.603110 O\n0.538209 0.191822 0.396890 O\n0.851644 0.851644 0.393881 O\n0.687103 0.687103 0.901030 O\n0.312896 0.312897 0.098970 O\n0.973971 0.634870 0.102151 O\n0.461790 0.808177 0.603110 O\n0.191822 0.538210 0.396890 O\n0.365129 0.026028 0.897849 O\n0.634870 0.973971 0.102151 O\n0.148355 0.148355 0.606119 O\n0.026029 0.365129 0.897849 O\n",
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"formula_full": "Li4 Cr5 Sb1 O12",
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{
"id": "jvasp-104513",
"created_at": "2022-09-04T14:37:09.623366Z",
"updated_at": "2022-09-04T14:37:09.623385Z",
"structure_string": "Na2 Cu1 Sb1 F6\n1.0\n5.293158 -0.000000 3.056006\n1.764386 4.990437 3.056006\n-0.000000 -0.000000 6.112012\nNa Cu Sb F\n2 1 1 6\ndirect\n0.750001 0.750000 0.750000 Na\n0.250000 0.250000 0.250000 Na\n0.500000 0.500000 0.500000 Cu\n0.000000 0.000000 0.000000 Sb\n0.746485 0.253515 0.253515 F\n0.253515 0.253515 0.746485 F\n0.253515 0.746485 0.746485 F\n0.253515 0.746485 0.253515 F\n0.746485 0.253515 0.746485 F\n0.746486 0.746485 0.253515 F\n",
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{
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"created_at": "2022-09-04T14:36:51.182153Z",
"updated_at": "2022-09-04T14:36:51.182179Z",
"structure_string": "Mo2 P2 H6 O14\n1.0\n6.277772 0.000000 -2.342311\n0.000000 6.367170 0.000000\n-0.049444 0.000000 7.030673\nMo P H O\n2 2 6 14\ndirect\n0.281928 0.250000 0.163310 Mo\n0.718072 0.750000 0.836690 Mo\n0.659261 0.250000 0.667993 P\n0.340739 0.750000 0.332007 P\n0.002369 0.250000 0.701012 H\n0.997631 0.750000 0.298987 H\n0.748481 0.250000 0.305192 H\n0.251520 0.750000 0.694808 H\n0.665074 0.250000 0.061335 H\n0.334926 0.750000 0.938665 H\n0.379236 0.750000 0.820019 O\n0.620764 0.250000 0.179981 O\n0.785487 0.750000 0.097667 O\n0.214513 0.250000 0.902333 O\n0.145831 0.750000 0.408580 O\n0.854169 0.250000 0.591420 O\n0.325414 0.560277 0.190830 O\n0.457446 0.250000 0.482289 O\n0.674586 0.439723 0.809169 O\n0.325414 0.939723 0.190830 O\n0.043399 0.250000 0.197021 O\n0.674586 0.060277 0.809169 O\n0.542554 0.750000 0.517711 O\n0.956601 0.750000 0.802979 O\n",
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{
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"structure_string": "Sr4 U2 Zn2 O12\n1.0\n0.000000 5.830512 -0.014398\n5.885297 0.000000 0.000000\n0.000000 -5.809668 -8.216873\nSr U Zn O\n4 2 2 12\ndirect\n0.259921 0.038040 0.251649 Sr\n0.740079 0.538040 0.248351 Sr\n0.740079 0.961961 0.748351 Sr\n0.259920 0.461961 0.751649 Sr\n0.000000 0.500000 0.000000 U\n-0.000000 0.000000 0.500000 U\n0.500000 0.000000 0.000000 Zn\n0.500000 0.500000 0.500000 Zn\n0.831355 0.978846 0.252300 O\n0.674021 0.792958 0.460402 O\n0.750812 0.284835 0.457168 O\n0.168644 0.021154 0.747700 O\n0.168644 0.478846 0.247700 O\n0.249188 0.784835 0.042832 O\n0.750811 0.215165 0.957168 O\n0.325979 0.292957 0.039598 O\n0.249188 0.715166 0.542832 O\n0.831355 0.521154 0.752299 O\n0.674021 0.707043 0.960402 O\n0.325978 0.207043 0.539598 O\n",
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{
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"updated_at": "2022-09-04T14:37:14.560129Z",
"structure_string": "Ba2 Pr1 Sb1 O6\n1.0\n5.320699 0.000000 3.071907\n1.773566 5.016403 3.071907\n0.000000 0.000000 6.143814\nBa Pr Sb O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750001 0.750000 0.750000 Ba\n0.500001 0.500000 0.500000 Pr\n0.000000 0.000000 0.000000 Sb\n0.231498 0.768502 0.768503 O\n0.231498 0.768502 0.231497 O\n0.768503 0.231497 0.768503 O\n0.231497 0.231497 0.768503 O\n0.768503 0.231497 0.231497 O\n0.768504 0.768502 0.231498 O\n",
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{
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"created_at": "2022-09-04T14:37:10.021382Z",
"updated_at": "2022-09-04T14:37:10.021404Z",
"structure_string": "Ti1 Zn1 Bi2 O6\n1.0\n3.781780 0.000000 0.000000\n0.000000 3.781735 0.000000\n0.000000 0.000000 9.700016\nTi Zn Bi O\n1 1 2 6\ndirect\n0.500000 0.499999 0.787556 Ti\n0.500000 0.499999 0.263755 Zn\n0.000000 0.000000 0.473321 Bi\n0.000000 0.000000 0.003453 Bi\n0.500000 0.499999 0.610145 O\n0.000000 0.499999 0.347887 O\n0.500000 0.000000 0.847732 O\n0.500000 0.000000 0.347888 O\n0.500000 0.499999 0.061233 O\n0.000000 0.499999 0.847732 O\n",
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]
}