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{
"id": "jvasp-51746",
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"structure_string": "Ba1 Mg2 Fe1 H8\n1.0\n2.276159 -3.942423 -0.000000\n2.276159 3.942423 0.000000\n0.000000 0.000000 6.937215\nBa Mg Fe H\n1 2 1 8\ndirect\n0.000000 0.000000 0.500000 Ba\n0.666667 0.333333 0.112620 Mg\n0.333333 0.666667 0.887379 Mg\n0.000000 0.000000 0.000000 Fe\n0.839530 0.679060 0.863770 H\n0.320941 0.160470 0.863770 H\n0.839530 0.160470 0.863770 H\n0.160470 0.320941 0.136229 H\n0.679060 0.839530 0.136229 H\n0.160470 0.839530 0.136229 H\n0.666667 0.333333 0.388918 H\n0.333333 0.666667 0.611081 H\n",
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{
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"structure_string": "Li1 Zn1 P1\n1.0\n2.657106 0.000000 0.000000\n0.000000 2.657106 0.000000\n0.000000 -0.000000 7.293481\nLi Zn P\n1 1 1\ndirect\n0.000000 0.000000 0.331591 Li\n0.000000 0.000000 0.664635 Zn\n0.000000 0.000000 0.004071 P\n",
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{
"id": "jvasp-71372",
"created_at": "2022-09-04T14:36:04.515318Z",
"updated_at": "2022-09-04T14:36:04.515335Z",
"structure_string": "Ca1 Be2 Se1\n1.0\n3.272190 0.000000 0.000000\n0.000000 3.272190 -0.000000\n0.000000 0.000000 6.380053\nCa Be Se\n1 2 1\ndirect\n0.500000 0.500000 0.000000 Ca\n0.000000 0.000000 0.671042 Be\n0.000000 0.000000 0.328958 Be\n0.500000 0.500000 0.500000 Se\n",
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"formula_full": "Ca1 Be2 Se1",
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"spacegroup": 123
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{
"id": "jvasp-122929",
"created_at": "2022-09-04T14:38:55.086571Z",
"updated_at": "2022-09-04T14:38:55.086586Z",
"structure_string": "Ca1 V1\n1.0\n3.566484 0.000000 -0.000000\n-0.000000 3.566484 -0.000000\n0.000000 -0.000000 3.566484\nCa V\n1 1\ndirect\n0.000000 0.000000 0.000000 Ca\n0.499999 0.499999 0.499999 V\n",
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{
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"created_at": "2022-09-04T14:38:27.576315Z",
"updated_at": "2022-09-04T14:38:27.576337Z",
"structure_string": "Na1 Li1 Cd1 S2\n1.0\n4.124134 -0.000000 0.000000\n-2.062066 3.571605 0.000000\n-0.000000 -0.000000 6.986526\nNa Li Cd S\n1 1 1 2\ndirect\n0.333333 0.666668 0.975285 Na\n0.666666 0.333334 0.671314 Li\n0.000000 0.000000 0.378927 Cd\n0.666666 0.333334 0.233486 S\n0.000000 0.000000 0.740989 S\n",
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"formula_full": "Na1 Li1 Cd1 S2",
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{
"id": "jvasp-91628",
"created_at": "2022-09-04T14:35:44.574093Z",
"updated_at": "2022-09-04T14:35:44.574120Z",
"structure_string": "Mg1 Si1 H2 O4\n1.0\n0.000000 0.000000 -2.852760\n0.233299 -4.320768 0.000000\n-4.787290 -0.013451 0.000000\nMg Si H O\n1 1 2 4\ndirect\n0.500000 0.498522 0.526147 Mg\n0.000000 0.999211 0.995777 Si\n0.000000 0.023561 0.479971 H\n0.500000 0.538391 0.031954 H\n0.000000 0.771118 0.693564 O\n0.500000 0.751438 0.144432 O\n0.000000 0.199858 0.338853 O\n0.500000 0.226403 0.889501 O\n",
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"volume": 59.017635123991894,
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"formula_full": "Mg1 Si1 H2 O4",
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"spacegroup": 6
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{
"id": "jvasp-86014",
"created_at": "2022-09-04T14:36:20.528861Z",
"updated_at": "2022-09-04T14:36:20.528894Z",
"structure_string": "K2 Eu2 Si2 S8\n1.0\n6.140417 0.000000 -1.971804\n0.000000 6.612869 0.000000\n-0.016940 0.000000 8.534699\nK Eu Si S\n2 2 2 8\ndirect\n0.772367 0.693698 0.065778 K\n0.227633 0.193698 0.934223 K\n0.270653 0.210641 0.448845 Eu\n0.729348 0.710641 0.551156 Eu\n0.282882 0.677881 0.681721 Si\n0.717118 0.177881 0.318279 Si\n0.914360 0.129333 0.567664 S\n0.087218 0.677740 0.839367 S\n0.477582 0.942533 0.272040 S\n0.518768 0.443743 0.288522 S\n0.085641 0.629333 0.432336 S\n0.481232 0.943743 0.711478 S\n0.912783 0.177740 0.160634 S\n0.522418 0.442533 0.727960 S\n",
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"volume": 346.33716671996865,
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"formula_full": "K2 Eu2 Si2 S8",
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"spacegroup": 4
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{
"id": "jvasp-110709",
"created_at": "2022-09-04T14:38:36.792324Z",
"updated_at": "2022-09-04T14:38:36.792339Z",
"structure_string": "Na3 Pd1 F6\n1.0\n5.098085 -0.000000 2.943381\n1.699362 4.806521 2.943381\n-0.000000 -0.000000 5.886762\nNa Pd F\n3 1 6\ndirect\n0.250000 0.250000 0.250000 Na\n0.750001 0.750000 0.749999 Na\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Pd\n0.242868 0.242868 0.757132 F\n0.242868 0.757132 0.757132 F\n0.757133 0.757132 0.242867 F\n0.242868 0.757132 0.242868 F\n0.757133 0.242868 0.757132 F\n0.757133 0.242868 0.242867 F\n",
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"formula_full": "Na3 Pd1 F6",
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"spacegroup": 225
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{
"id": "jvasp-52876",
"created_at": "2022-09-04T14:36:47.554239Z",
"updated_at": "2022-09-04T14:36:47.554266Z",
"structure_string": "Na2 H6 Se4 O12\n1.0\n0.000000 4.511503 0.034681\n5.980315 0.000000 0.000000\n0.000000 -3.868929 -10.373610\nNa H Se O\n2 6 4 12\ndirect\n-0.000000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Na\n-0.000000 0.000000 0.500000 H\n0.000000 0.500000 0.000000 H\n0.790065 0.554348 0.686561 H\n0.790065 0.945653 0.186561 H\n0.209934 0.445653 0.313439 H\n0.209934 0.054347 0.813439 H\n0.311085 0.887571 0.343074 Se\n0.311085 0.612430 0.843074 Se\n0.688914 0.112430 0.656927 Se\n0.688914 0.387571 0.156926 Se\n0.964123 0.826714 0.199080 O\n0.849941 0.361425 0.035135 O\n0.849941 0.138576 0.535135 O\n0.150058 0.638576 0.964865 O\n0.150058 0.861425 0.464865 O\n0.525290 0.131120 0.145891 O\n0.525289 0.368880 0.645892 O\n0.474710 0.868881 0.854109 O\n0.474710 0.631120 0.354109 O\n0.035877 0.173286 0.800920 O\n0.035877 0.326714 0.300920 O\n0.964122 0.673287 0.699080 O\n",
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{
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"created_at": "2022-09-04T14:35:49.811470Z",
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"structure_string": "K2 Eu2 Si2 S8\n1.0\n6.140350 0.000000 -1.971849\n0.000000 6.613007 0.000000\n-0.016881 0.000000 8.535073\nK Eu Si S\n2 2 2 8\ndirect\n0.772428 0.693716 0.065826 K\n0.227572 0.193716 0.934173 K\n0.270637 0.210634 0.448853 Eu\n0.729363 0.710634 0.551147 Eu\n0.282915 0.677881 0.681715 Si\n0.717086 0.177881 0.318284 Si\n0.914347 0.129307 0.567649 S\n0.087257 0.677758 0.839353 S\n0.477559 0.942542 0.272043 S\n0.518731 0.443733 0.288529 S\n0.085653 0.629308 0.432350 S\n0.481270 0.943733 0.711470 S\n0.912743 0.177758 0.160646 S\n0.522441 0.442541 0.727957 S\n",
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{
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"created_at": "2022-09-04T14:36:17.425262Z",
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"structure_string": "K2 Be1 Pd1\n1.0\n-2.574414 2.574414 3.640925\n2.574414 -2.574414 3.640925\n2.574414 2.574414 -3.640925\nK Be Pd\n2 1 1\ndirect\n0.000000 0.000000 0.000000 K\n0.250000 0.749999 0.499999 K\n0.749999 0.250000 0.499999 Be\n0.499999 0.499999 0.000000 Pd\n",
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}