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{
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"structure_string": "Mg2 Ni3 O8\n1.0\n4.626816 0.069154 -1.316744\n-0.830080 4.933471 -2.657662\n0.041528 -0.161424 5.724891\nMg Ni O\n2 3 8\ndirect\n0.640281 0.718240 0.436480 Mg\n0.359719 0.281761 0.563521 Mg\n0.500000 0.999998 0.000000 Ni\n1.000000 0.745894 0.000001 Ni\n1.000000 0.254104 0.000001 Ni\n0.064617 0.390594 0.781189 O\n0.935384 0.609404 0.218812 O\n0.097986 0.896725 0.793449 O\n0.902015 0.103273 0.206551 O\n0.390035 0.339594 0.226652 O\n0.390035 0.887057 0.226652 O\n0.609967 0.112941 0.773349 O\n0.609967 0.660406 0.773349 O\n",
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"structure_string": "Ca2 V3 O8\n1.0\n4.739230 -0.024394 -1.525509\n-0.876182 5.207472 -2.805266\n-0.030937 -0.014703 6.355201\nCa V O\n2 3 8\ndirect\n0.667668 0.729637 0.459271 Ca\n0.332332 0.270365 0.540728 Ca\n0.500000 0.999999 -0.000001 V\n0.999999 0.726851 -0.000000 V\n0.999999 0.273150 -0.000000 V\n0.040839 0.390968 0.781937 O\n0.959161 0.609032 0.218063 O\n0.095856 0.903437 0.806874 O\n0.904144 0.096563 0.193125 O\n0.393022 0.325003 0.204945 O\n0.393022 0.879944 0.204945 O\n0.606979 0.120056 0.795055 O\n0.606979 0.674998 0.795055 O\n",
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{
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"created_at": "2022-09-04T14:37:17.817076Z",
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"structure_string": "Mg1 V4 S8\n1.0\n5.835551 -0.043123 4.398126\n2.168531 5.417840 4.398126\n-0.064218 -0.043123 7.307055\nMg V S\n1 4 8\ndirect\n0.499999 0.500002 0.500000 Mg\n0.500000 1.000000 0.500002 V\n0.999998 0.500001 0.500002 V\n0.500000 0.500000 0.000001 V\n0.000000 0.000000 0.000000 V\n0.756660 0.254097 0.756662 S\n0.243337 0.243339 0.745905 S\n0.243337 0.745905 0.243339 S\n0.745902 0.243339 0.243339 S\n0.257035 0.257036 0.257035 S\n0.742964 0.742966 0.742966 S\n0.254097 0.756663 0.756662 S\n0.756662 0.756663 0.254097 S\n",
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"density_atomic": 0.0555694164035942,
"volume": 233.94163267043356,
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{
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"created_at": "2022-09-04T14:37:32.639967Z",
"updated_at": "2022-09-04T14:37:32.639982Z",
"structure_string": "Mg1 Sb4 O8\n1.0\n3.119821 0.113964 0.916304\n1.568630 6.368003 2.543857\n0.362201 1.293275 10.262687\nMg Sb O\n1 4 8\ndirect\n0.241865 0.144823 0.198442 Mg\n0.601024 0.266502 0.477640 Sb\n0.136636 0.719570 0.132625 Sb\n0.861824 0.371716 0.892745 Sb\n0.397546 0.773154 0.556964 Sb\n0.810112 0.675207 0.720711 O\n0.521076 0.281191 0.802491 O\n0.496703 0.755971 0.249840 O\n0.218888 0.376854 0.288704 O\n0.149600 0.049418 0.601273 O\n0.877173 0.103600 0.088081 O\n0.880507 0.010554 0.406661 O\n0.185212 0.462069 -0.007383 O\n",
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"volume": 191.64098294212718,
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{
"id": "jvasp-34153",
"created_at": "2022-09-04T14:37:20.129604Z",
"updated_at": "2022-09-04T14:37:20.129624Z",
"structure_string": "Tb6 Br7\n1.0\n3.693849 -0.000000 0.676512\n1.164623 9.735090 4.063714\n-0.042966 0.193085 10.657321\nTb Br\n6 7\ndirect\n0.128085 0.299782 0.444046 Tb\n0.871913 0.700217 0.555954 Tb\n0.319407 0.002075 0.359112 Tb\n0.680592 -0.002075 0.640888 Tb\n0.774362 0.300459 0.150816 Tb\n0.225636 0.699541 0.849183 Tb\n0.499999 0.500000 0.500000 Br\n0.048249 0.169783 0.733718 Br\n0.951750 0.830216 0.266282 Br\n0.163300 0.515318 0.158083 Br\n0.836699 0.484682 0.841917 Br\n0.397660 0.152451 0.052228 Br\n0.602339 0.847549 0.947771 Br\n",
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{
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"created_at": "2022-09-04T14:37:18.249878Z",
"updated_at": "2022-09-04T14:37:18.249898Z",
"structure_string": "Mg1 Sn4 O8\n1.0\n5.318788 -0.422818 3.288678\n1.621509 5.083207 3.288678\n-0.629664 -0.422818 6.221611\nMg Sn O\n1 4 8\ndirect\n0.500001 0.500001 0.499999 Mg\n0.500002 0.999999 0.500001 Sn\n1.000000 0.500000 0.500001 Sn\n0.500000 0.500000 0.000000 Sn\n0.000000 0.000000 0.000000 Sn\n0.734286 0.304317 0.734284 O\n0.265715 0.265715 0.695683 O\n0.265715 0.695684 0.265714 O\n0.695683 0.265715 0.265715 O\n0.262196 0.262197 0.262196 O\n0.737805 0.737804 0.737804 O\n0.304319 0.734286 0.734284 O\n0.734286 0.734286 0.304317 O\n",
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"spacegroup": 166
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{
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"created_at": "2022-09-04T14:37:09.897090Z",
"updated_at": "2022-09-04T14:37:09.897112Z",
"structure_string": "Mn4 Zn1 S8\n1.0\n6.876443 0.002498 0.001766\n3.440384 5.958920 0.000000\n3.440384 1.986306 5.618125\nMn Zn S\n4 1 8\ndirect\n-0.000001 0.500000 0.500000 Mn\n0.499999 0.500000 0.000000 Mn\n0.499999 0.500000 0.500000 Mn\n0.499999 0.000001 0.500000 Mn\n0.500000 0.000000 0.000000 Zn\n0.263144 0.254078 0.254078 S\n0.263143 0.254079 0.728700 S\n0.263143 0.728700 0.254078 S\n0.729058 0.256980 0.256980 S\n0.270940 0.743021 0.743020 S\n0.736855 0.745922 0.271300 S\n0.736855 0.271301 0.745922 S\n0.736854 0.745923 0.745922 S\n",
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"volume": 230.13684689509512,
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{
"id": "jvasp-9461",
"created_at": "2022-09-04T14:37:27.159392Z",
"updated_at": "2022-09-04T14:37:27.159413Z",
"structure_string": "Ba2 Y1 Tl1 Cr2 O7\n1.0\n3.904880 -0.000000 -0.000000\n-0.000000 3.904880 -0.000000\n0.000000 0.000000 13.017152\nBa Y Tl Cr O\n2 1 1 2 7\ndirect\n0.500000 0.500000 0.198991 Ba\n0.500000 0.500000 0.801008 Ba\n0.500000 0.500000 0.500000 Y\n0.000000 0.000000 0.000000 Tl\n0.000000 0.000000 0.362322 Cr\n0.000000 0.000000 0.637677 Cr\n0.000000 0.000000 0.218229 O\n0.000000 0.500000 0.391605 O\n0.500000 0.000000 0.391605 O\n0.500000 0.000000 0.608395 O\n0.500000 0.500000 0.000000 O\n0.000000 0.500000 0.608395 O\n0.000000 0.000000 0.781771 O\n",
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{
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"created_at": "2022-09-04T14:37:32.952601Z",
"updated_at": "2022-09-04T14:37:32.952628Z",
"structure_string": "Sm9 Ga4\n1.0\n4.830731 0.000000 1.453592\n2.415365 8.385229 0.726797\n-0.000781 0.000000 8.756386\nSm Ga\n9 4\ndirect\n0.500000 -0.000000 -0.000000 Sm\n0.122468 0.283271 0.471793 Sm\n0.594261 0.528207 0.283271 Sm\n0.405738 0.471793 0.716730 Sm\n0.877531 0.716730 0.528208 Sm\n0.186367 0.922017 0.705248 Sm\n0.891614 0.294753 0.922017 Sm\n0.108385 0.705247 0.077984 Sm\n0.813632 0.077983 0.294753 Sm\n0.388385 0.880101 0.343129 Ga\n0.731513 0.656872 0.880101 Ga\n0.268486 0.343128 0.119899 Ga\n0.611614 0.119899 0.656872 Ga\n",
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"created_at": "2022-09-04T14:37:09.652012Z",
"updated_at": "2022-09-04T14:37:09.652033Z",
"structure_string": "Ag1 Te6 Mo6\n1.0\n4.599874 0.000000 0.000000\n-2.299937 7.784460 -4.334506\n0.000000 -0.053161 9.332047\nAg Te Mo\n1 6 6\ndirect\n0.000000 0.000000 0.000000 Ag\n0.116000 0.232000 0.641825 Te\n0.539632 0.079265 0.252326 Te\n0.460366 0.920735 0.747674 Te\n0.818980 0.637963 0.900956 Te\n0.181018 0.362037 0.099044 Te\n0.883999 0.768000 0.358175 Te\n0.715321 0.430644 0.313423 Mo\n0.284677 0.569356 0.686577 Mo\n0.846925 0.693854 0.621025 Mo\n0.153073 0.306146 0.378975 Mo\n0.686375 0.372752 0.567004 Mo\n0.313624 0.627248 0.432996 Mo\n",
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{
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"created_at": "2022-09-04T14:37:19.406635Z",
"updated_at": "2022-09-04T14:37:19.406662Z",
"structure_string": "Mg1 Bi4 O8\n1.0\n5.468383 -0.643389 2.989421\n1.473957 5.305150 2.989421\n-0.958140 -0.643389 6.158070\nMg Bi O\n1 4 8\ndirect\n0.500000 0.500001 0.499999 Mg\n0.500001 0.999999 0.500001 Bi\n0.999999 0.500000 0.500001 Bi\n0.500000 0.500000 -0.000000 Bi\n0.000000 0.000000 0.000000 Bi\n0.735244 0.278028 0.735245 O\n0.264754 0.264755 0.721971 O\n0.264755 0.721972 0.264754 O\n0.721971 0.264755 0.264755 O\n0.257696 0.257697 0.257696 O\n0.742304 0.742303 0.742304 O\n0.278030 0.735245 0.735244 O\n0.735246 0.735245 0.278028 O\n",
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"formula_full": "Mg1 Bi4 O8",
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]
}