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{
"id": "jvasp-21961",
"created_at": "2022-09-04T14:37:32.366706Z",
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"structure_string": "Rb2 Na1 Y1 F6\n1.0\n5.431934 -0.000000 3.136129\n1.810645 5.121277 3.136129\n-0.000000 -0.000000 6.272257\nRb Na Y F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Rb\n0.749999 0.750000 0.750001 Rb\n0.499999 0.500000 0.500001 Na\n0.000000 0.000000 0.000000 Y\n0.244780 0.755220 0.755220 F\n0.244780 0.755220 0.244781 F\n0.755218 0.244781 0.755220 F\n0.244780 0.244781 0.755220 F\n0.755218 0.244781 0.244781 F\n0.755218 0.755220 0.244782 F\n",
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{
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"structure_string": "Ca2 Bi2 As2 O12\n1.0\n0.000000 7.048916 0.133852\n5.164633 0.000000 0.000000\n0.000000 -1.873016 -7.247867\nCa Bi As O\n2 2 2 12\ndirect\n0.243246 0.775456 0.067616 Ca\n0.756755 0.275456 0.932385 Ca\n0.594303 0.220629 0.412951 Bi\n0.405698 0.720628 0.587049 Bi\n0.786470 0.804081 0.223127 As\n0.213530 0.304081 0.776874 As\n0.431115 0.484594 0.870567 O\n0.077019 0.372208 0.926498 O\n0.316175 0.999340 0.367466 O\n0.765448 0.472234 0.231351 O\n0.607141 0.023192 0.683059 O\n0.147049 0.460237 0.561929 O\n0.683825 0.499341 0.632535 O\n0.922982 0.872208 0.073503 O\n0.568885 0.984594 0.129433 O\n0.392860 0.523192 0.316942 O\n0.234552 0.972234 0.768650 O\n0.852951 0.960236 0.438072 O\n",
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{
"id": "jvasp-58265",
"created_at": "2022-09-04T14:37:18.424041Z",
"updated_at": "2022-09-04T14:37:18.424071Z",
"structure_string": "Ba2 Pr4 Fe2 S10\n1.0\n7.082156 -0.000000 -3.536659\n-1.766122 6.858407 -3.536659\n-0.045534 -0.058745 8.768153\nBa Pr Fe S\n2 4 2 10\ndirect\n0.250000 0.250000 0.500000 Ba\n0.750001 0.750000 0.500000 Ba\n0.338842 0.161158 0.000000 Pr\n0.161158 0.661158 0.000000 Pr\n0.661159 0.838842 0.000000 Pr\n0.838843 0.338842 0.000000 Pr\n0.250001 0.750000 0.500000 Fe\n0.750001 0.250000 0.500000 Fe\n0.500001 0.500000 0.000000 S\n0.488232 0.988231 0.274176 S\n0.988232 0.785945 0.274176 S\n0.285946 0.488231 0.274176 S\n0.011770 0.214055 0.725824 S\n0.714056 0.511769 0.725824 S\n0.511770 0.011769 0.725824 S\n0.214056 0.714055 0.725824 S\n0.785946 0.285945 0.274176 S\n0.000000 0.000000 0.000000 S\n",
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{
"id": "jvasp-21962",
"created_at": "2022-09-04T14:37:32.369135Z",
"updated_at": "2022-09-04T14:37:32.369157Z",
"structure_string": "Ba2 Sm1 Re1 O6\n1.0\n5.224443 -0.000000 3.016333\n1.741481 4.925652 3.016333\n0.000000 0.000000 6.032666\nBa Sm Re O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Ba\n0.500000 0.500000 0.500000 Sm\n0.000000 0.000000 0.000000 Re\n0.231508 0.768491 0.768492 O\n0.231508 0.768491 0.231508 O\n0.768491 0.231508 0.768492 O\n0.231508 0.231508 0.768492 O\n0.768491 0.231508 0.231508 O\n0.768491 0.768491 0.231508 O\n",
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"volume": 155.24334859347724,
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"formula_full": "Ba2 Sm1 Re1 O6",
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{
"id": "jvasp-43001",
"created_at": "2022-09-04T14:37:28.615136Z",
"updated_at": "2022-09-04T14:37:28.615176Z",
"structure_string": "Li2 Ti3 Co1 O8\n1.0\n5.812692 -0.086135 -0.060907\n2.831750 5.077006 -0.060907\n2.831750 1.634912 4.806950\nLi Ti Co O\n2 3 1 8\ndirect\n0.121607 0.121607 0.121607 Li\n0.878393 0.878393 0.878392 Li\n-0.000000 0.500000 0.500000 Ti\n0.500000 -0.000001 0.500000 Ti\n0.500000 0.500000 -0.000001 Ti\n0.500000 0.500000 0.499999 Co\n0.259487 0.259486 0.259486 O\n0.258722 0.258722 0.714422 O\n0.258722 0.714422 0.258722 O\n0.714422 0.258722 0.258721 O\n0.285578 0.741278 0.741277 O\n0.741278 0.285577 0.741277 O\n0.741278 0.741278 0.285577 O\n0.740514 0.740513 0.740513 O\n",
"nsites": 14,
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"formula_full": "Li2 Ti3 Co1 O8",
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{
"id": "jvasp-11782",
"created_at": "2022-09-04T14:37:09.984037Z",
"updated_at": "2022-09-04T14:37:09.984062Z",
"structure_string": "Rb4 Li2 V2 O8\n1.0\n5.882140 0.000000 -0.000000\n-2.941070 5.832106 -0.000000\n-0.000000 0.000000 7.906619\nRb Li V O\n4 2 2 8\ndirect\n0.604949 0.209900 0.550221 Rb\n0.395051 0.790101 0.050221 Rb\n0.938152 0.876303 0.408570 Rb\n0.061849 0.123697 0.908570 Rb\n0.799264 0.598527 0.829239 Li\n0.200737 0.401473 0.329239 Li\n0.309741 0.619482 0.611002 V\n0.690260 0.380519 0.111002 V\n0.404392 0.289614 0.218309 O\n0.595609 0.710387 0.718309 O\n0.633626 0.267252 0.908008 O\n0.366374 0.732748 0.408008 O\n0.885222 0.289614 0.218309 O\n0.114778 0.710387 0.718309 O\n0.162306 0.324613 0.577641 O\n0.837695 0.675388 0.077641 O\n",
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],
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"density_atomic": 0.058988642952468695,
"volume": 271.2386520383649,
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"formula_full": "Rb4 Li2 V2 O8",
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"spacegroup": 36
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{
"id": "jvasp-10207",
"created_at": "2022-09-04T14:37:31.680057Z",
"updated_at": "2022-09-04T14:37:31.680077Z",
"structure_string": "K2 Mg1 C2 O6\n1.0\n4.718054 -0.030555 4.367668\n1.889576 4.323247 4.367668\n-0.047033 -0.030555 6.429180\nK Mg C O\n2 1 2 6\ndirect\n0.789663 0.789666 0.789663 K\n0.210336 0.210337 0.210336 K\n0.000000 0.000000 0.000000 Mg\n0.595595 0.595597 0.595595 C\n0.404404 0.404406 0.404404 C\n0.694420 0.261277 0.261275 O\n0.261275 0.261277 0.694420 O\n0.261275 0.694422 0.261275 O\n0.738724 0.305581 0.738724 O\n0.738724 0.738726 0.305578 O\n0.305579 0.738726 0.738724 O\n",
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],
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"volume": 132.78104031759435,
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{
"id": "jvasp-22926",
"created_at": "2022-09-04T14:37:31.177542Z",
"updated_at": "2022-09-04T14:37:31.177561Z",
"structure_string": "Ba8 Tb4 Cd6 S20\n1.0\n4.173042 0.000000 -0.000000\n-2.086522 9.057908 -0.000000\n-0.000000 -0.000000 26.737411\nTb Ba Cd S\n4 8 6 20\ndirect\n0.079663 0.159326 0.253563 Tb\n0.496102 0.992203 0.499429 Tb\n0.920337 0.840675 0.753563 Tb\n0.503898 0.007797 0.999429 Tb\n0.160763 0.321527 0.390919 Ba\n0.839237 0.678474 0.890919 Ba\n0.163104 0.326208 0.110787 Ba\n0.836896 0.673792 0.610787 Ba\n0.575350 0.150701 0.655988 Ba\n0.424650 0.849299 0.155988 Ba\n0.405165 0.810331 0.339547 Ba\n0.594835 0.189669 0.839547 Ba\n0.155494 0.310990 0.543806 Cd\n0.844506 0.689011 0.043807 Cd\n0.162324 0.324647 0.961436 Cd\n0.837676 0.675353 0.461436 Cd\n0.217236 0.434472 0.732592 Cd\n0.782764 0.565528 0.232592 Cd\n0.989685 0.979370 0.070493 S\n0.576725 0.153452 0.321046 S\n0.983426 0.966851 0.432193 S\n0.423275 0.846548 0.821046 S\n0.590859 0.181718 0.184211 S\n0.409141 0.818283 0.684211 S\n0.650339 0.300679 0.488696 S\n0.349661 0.699321 0.988696 S\n0.655264 0.310528 0.018554 S\n0.344736 0.689472 0.518554 S\n0.768582 0.537163 0.768164 S\n0.231418 0.462837 0.268164 S\n0.787523 0.575047 0.376633 S\n0.212477 0.424954 0.876633 S\n0.792679 0.585358 0.131661 S\n0.207321 0.414642 0.631661 S\n0.927637 0.855275 0.247199 S\n0.072363 0.144726 0.747199 S\n0.016574 0.033149 0.932193 S\n0.010315 0.020631 0.570493 S\n",
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{
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"created_at": "2022-09-04T14:37:16.458995Z",
"updated_at": "2022-09-04T14:37:16.459020Z",
"structure_string": "Na2 Ag2 N4 O8\n1.0\n6.106376 -0.103884 -2.214843\n-2.992965 5.323606 -2.214843\n0.130809 0.219306 6.734666\nNa Ag N O\n2 2 4 8\ndirect\n0.763575 0.236426 0.500001 Na\n0.513575 0.486426 0.000001 Na\n0.249144 0.750858 0.500001 Ag\n0.999144 0.000857 0.000001 Ag\n0.519375 0.480627 0.500001 N\n0.269374 0.730626 0.000001 N\n0.793944 0.206058 0.000001 N\n0.043943 0.956058 0.500001 N\n0.791260 0.329819 0.186868 O\n0.670183 0.208741 0.813135 O\n0.854394 0.892952 0.313135 O\n0.410338 0.502917 0.320732 O\n0.107050 0.145607 0.686867 O\n0.067814 0.660394 0.820732 O\n0.497084 0.589664 0.679271 O\n0.339607 0.932187 0.179271 O\n",
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{
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"created_at": "2022-09-04T14:37:31.683796Z",
"updated_at": "2022-09-04T14:37:31.683824Z",
"structure_string": "Li2 Ca1 Hf1 F8\n1.0\n5.105146 -0.000045 0.000029\n-0.000297 5.105133 0.000039\n-2.552353 -2.552499 5.275470\nLi Ca Hf F\n2 1 1 8\ndirect\n0.250021 0.750002 0.500016 Li\n0.500005 0.500005 0.999986 Li\n0.000017 0.000006 0.000003 Ca\n0.749996 0.250000 0.499999 Hf\n0.995198 0.394706 0.359981 F\n0.735336 0.875904 0.178019 F\n0.034718 0.004801 0.640013 F\n0.605303 0.635208 0.640051 F\n0.364780 0.965262 0.359961 F\n0.697839 0.264615 0.821954 F\n0.442693 0.302180 0.178052 F\n0.124100 0.557303 0.821968 F\n",
"nsites": 12,
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],
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"volume": 137.4925555179568,
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{
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"created_at": "2022-09-04T14:37:18.416889Z",
"updated_at": "2022-09-04T14:37:18.416913Z",
"structure_string": "Ba2 Nd4 Zn2 O10\n1.0\n6.067651 -0.000000 -3.065730\n-1.548986 5.866603 -3.065730\n0.008830 0.011464 7.554845\nBa Nd Zn O\n2 4 2 10\ndirect\n0.250000 0.250000 0.500000 Ba\n0.749999 0.749999 0.500000 Ba\n0.327361 0.172638 -0.000000 Nd\n0.172638 0.672638 -0.000000 Nd\n0.672638 0.827361 -0.000000 Nd\n0.827361 0.327361 -0.000000 Nd\n0.249999 0.749999 0.500000 Zn\n0.750000 0.250000 0.500000 Zn\n0.500000 0.500000 -0.000000 O\n0.775430 0.275430 0.261342 O\n0.275429 0.485911 0.261342 O\n0.985911 0.775429 0.261341 O\n0.724570 0.514087 0.738658 O\n0.014088 0.224570 0.738658 O\n0.224569 0.724569 0.738658 O\n0.514088 0.014088 0.738658 O\n0.485911 0.985911 0.261341 O\n0.000000 0.000000 0.000000 O\n",
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{
"id": "jvasp-57095",
"created_at": "2022-09-04T14:37:09.949287Z",
"updated_at": "2022-09-04T14:37:09.949319Z",
"structure_string": "K1 Rb2 Fe1 F6\n1.0\n5.352524 -0.000000 3.090281\n1.784175 5.046408 3.090281\n-0.000000 -0.000000 6.180561\nK Rb Fe F\n1 2 1 6\ndirect\n0.499999 0.500000 0.500000 K\n0.749999 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Fe\n0.214976 0.785023 0.785023 F\n0.214976 0.785023 0.214977 F\n0.785022 0.214977 0.785023 F\n0.214977 0.214977 0.785023 F\n0.785022 0.214977 0.214977 F\n0.785021 0.785023 0.214977 F\n",
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]
}