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{
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"structure_string": "Ba4 Fe2 Mo2 O12\n1.0\n5.634279 0.000270 0.000716\n-0.000380 7.969235 0.000203\n-0.000728 -0.000139 5.634286\nBa Fe Mo O\n4 2 2 12\ndirect\n-0.000007 0.250001 0.500012 Ba\n0.500007 0.750001 -0.000011 Ba\n0.499996 0.249999 0.000011 Ba\n0.000004 0.750000 0.499988 Ba\n0.500001 0.500000 0.500000 Fe\n-0.000001 -0.000000 -0.000000 Fe\n-0.000003 0.500001 -0.000000 Mo\n0.500007 -0.000000 0.500002 Mo\n0.752666 0.499990 0.752641 O\n0.252657 0.999992 0.252646 O\n0.247360 0.499982 0.752666 O\n0.747352 -0.000016 0.252659 O\n0.247334 0.500011 0.247360 O\n0.000013 0.747320 -0.000037 O\n0.499995 0.752681 0.500018 O\n-0.000011 0.252680 0.000036 O\n0.252647 0.000016 0.747343 O\n0.500004 0.247320 0.499982 O\n0.747342 0.000008 0.747353 O\n0.752640 0.500018 0.247335 O\n",
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{
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"structure_string": "Co6 Sb2 O16\n1.0\n5.666636 -0.000018 -0.000009\n-2.833334 4.907478 0.000018\n0.000112 -0.000196 9.097172\nCo Sb O\n6 2 16\ndirect\n0.168559 0.831544 0.213987 Co\n0.168553 0.337030 0.213986 Co\n0.663066 0.831542 0.213996 Co\n0.336935 0.168475 0.713996 Co\n0.831442 0.662984 0.713987 Co\n0.831448 0.168476 0.713986 Co\n0.333296 0.666660 0.493096 Sb\n0.666704 0.333364 0.993096 Sb\n0.842710 0.685328 0.101239 O\n0.666595 0.333305 0.610292 O\n0.515050 0.030164 0.832721 O\n0.515056 0.484897 0.832718 O\n0.685233 0.842623 0.601250 O\n0.314768 0.157391 0.101251 O\n0.484950 0.515112 0.332722 O\n0.000060 0.000042 0.310647 O\n0.157295 0.314690 0.601233 O\n-0.000061 -0.000019 0.810647 O\n0.969806 0.484913 0.832694 O\n0.333406 0.666710 0.110293 O\n0.030194 0.515108 0.332694 O\n0.157291 0.842618 0.601239 O\n0.484945 0.969843 0.332718 O\n0.842706 0.157395 0.101233 O\n",
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{
"id": "jvasp-44636",
"created_at": "2022-09-04T14:38:34.307182Z",
"updated_at": "2022-09-04T14:38:34.307210Z",
"structure_string": "Ti2 Mn6 O16\n1.0\n2.853628 -4.942630 -0.000000\n2.853628 4.942630 -0.000000\n-0.000000 0.000000 8.967880\nTi Mn O\n2 6 16\ndirect\n0.666667 0.333333 0.504722 Ti\n0.333333 0.666667 0.004722 Ti\n0.335894 0.167947 0.786684 Mn\n0.832054 0.664106 0.786684 Mn\n0.832054 0.167947 0.786684 Mn\n0.167947 0.832054 0.286684 Mn\n0.167947 0.335894 0.286684 Mn\n0.664106 0.832054 0.286684 Mn\n0.165259 0.330518 0.899441 O\n0.333333 0.666667 0.397228 O\n0.481102 0.962204 0.166442 O\n0.037796 0.518898 0.166442 O\n0.834741 0.165259 0.399441 O\n0.165259 0.834741 0.899441 O\n0.962204 0.481102 0.666442 O\n0.000000 0.000000 0.682508 O\n0.834741 0.669482 0.399441 O\n0.000000 0.000000 0.182508 O\n0.481102 0.518898 0.166442 O\n0.666667 0.333333 0.897228 O\n0.518898 0.481102 0.666442 O\n0.330518 0.165259 0.399441 O\n0.518898 0.037796 0.666442 O\n0.669482 0.834741 0.899441 O\n",
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{
"id": "jvasp-108954",
"created_at": "2022-09-04T14:38:16.981670Z",
"updated_at": "2022-09-04T14:38:16.981685Z",
"structure_string": "Zn2 Pb4 N4\n1.0\n3.614783 -0.000000 0.000000\n0.000000 6.337174 0.000000\n-0.000000 -0.000000 11.042748\nZn Pb N\n2 4 4\ndirect\n0.749999 0.342638 0.750000 Zn\n0.250000 0.657361 0.250000 Zn\n0.749999 0.737735 0.969171 Pb\n0.749999 0.737735 0.530829 Pb\n0.250000 0.262265 0.030829 Pb\n0.250000 0.262265 0.469171 Pb\n0.749999 0.374965 0.585468 N\n0.749999 0.374965 0.914532 N\n0.250000 0.625034 0.414532 N\n0.250000 0.625034 0.085468 N\n",
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{
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"created_at": "2022-09-04T14:37:59.212734Z",
"updated_at": "2022-09-04T14:37:59.212757Z",
"structure_string": "Li6 Fe2 Si2 B2 O14\n1.0\n0.000000 4.995538 0.064010\n6.151458 0.000000 0.000000\n0.000000 -0.744487 -8.241282\nLi Fe Si B O\n6 2 2 2 14\ndirect\n0.237427 0.750000 0.103837 Li\n0.747153 0.002406 0.247948 Li\n0.747153 0.497595 0.247948 Li\n0.252847 0.502406 0.752052 Li\n0.252847 0.997595 0.752052 Li\n0.762573 0.250000 0.896163 Li\n0.200747 0.250000 0.314480 Fe\n0.799253 0.750000 0.685520 Fe\n0.725072 0.250000 0.570985 Si\n0.274927 0.750000 0.429015 Si\n0.292113 0.250000 0.038067 B\n0.707887 0.750000 0.961933 B\n0.519672 0.750000 0.823580 O\n0.818937 0.051555 0.699150 O\n0.818937 0.448445 0.699150 O\n0.396214 0.250000 0.522610 O\n0.130754 0.750000 0.595910 O\n0.869246 0.250000 0.404089 O\n0.636263 0.750000 0.113766 O\n0.181063 0.551555 0.300850 O\n0.181063 0.948446 0.300850 O\n0.480328 0.250000 0.176420 O\n0.032405 0.250000 0.086751 O\n0.967595 0.750000 0.913248 O\n0.603786 0.750000 0.477390 O\n0.363737 0.250000 0.886234 O\n",
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{
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"created_at": "2022-09-04T14:35:50.661311Z",
"updated_at": "2022-09-04T14:35:50.661334Z",
"structure_string": "Mg2 Sc2 Se6\n1.0\n6.859132 0.461002 1.820605\n-3.879133 5.675609 1.820605\n0.188873 0.388939 6.443066\nMg Sc Se\n2 2 6\ndirect\n0.330291 0.669709 0.000001 Mg\n0.669709 0.330290 0.000001 Mg\n0.781297 0.781297 0.232147 Sc\n0.218703 0.218703 0.767855 Sc\n0.189044 0.885619 0.217052 Se\n0.810956 0.114381 0.782950 Se\n0.114381 0.810956 0.782950 Se\n0.885618 0.189043 0.217052 Se\n0.580918 0.580918 0.705369 Se\n0.419081 0.419081 0.294633 Se\n",
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{
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"structure_string": "Ba4 V1 Cl1\n1.0\n0.000000 5.019405 5.019405\n5.019405 0.000000 5.019405\n5.019405 5.019405 -0.000000\nBa V Cl\n4 1 1\ndirect\n0.123859 0.625380 0.625380 Ba\n0.625380 0.625380 0.625380 Ba\n0.625380 0.123859 0.625380 Ba\n0.625380 0.625380 0.123859 Ba\n0.000000 0.000000 0.000000 V\n0.250000 0.250000 0.250000 Cl\n",
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{
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"created_at": "2022-09-04T14:38:34.431721Z",
"updated_at": "2022-09-04T14:38:34.431746Z",
"structure_string": "Al4 Se6\n1.0\n6.763729 -0.000000 0.000000\n-3.381864 5.034619 -3.046510\n0.000000 0.015215 7.418078\nAl Se\n4 6\ndirect\n0.638164 0.083379 0.128073 Al\n0.445216 0.083379 0.628074 Al\n0.267331 0.400401 0.116921 Al\n0.133069 0.400401 0.616921 Al\n0.909398 0.988555 0.988357 Se\n0.079158 0.988554 0.488357 Se\n0.593543 0.351217 0.013356 Se\n0.757675 0.351218 0.513356 Se\n0.241955 0.676250 0.003294 Se\n0.434297 0.676251 0.503294 Se\n",
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"formula_full": "Al4 Se6",
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{
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"created_at": "2022-09-04T14:36:41.994186Z",
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"structure_string": "Te2 Pb6\n1.0\n6.944383 -0.000000 0.000000\n-3.472190 6.014013 0.000000\n0.000000 0.000000 6.055111\nTe Pb\n2 6\ndirect\n0.333333 0.666667 0.750000 Te\n0.666667 0.333333 0.250000 Te\n0.166539 0.333077 0.250000 Pb\n0.666922 0.833461 0.250000 Pb\n0.166538 0.833461 0.250000 Pb\n0.833461 0.666922 0.750000 Pb\n0.333077 0.166539 0.750000 Pb\n0.833461 0.166539 0.750000 Pb\n",
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{
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"created_at": "2022-09-04T14:38:31.881178Z",
"updated_at": "2022-09-04T14:38:31.881197Z",
"structure_string": "K2 Fe1 Co1 C6 N6\n1.0\n6.147175 -0.000000 3.549073\n2.049059 5.795612 3.549073\n-0.000000 -0.000000 7.098146\nK Fe Co C N\n2 1 1 6 6\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.750000 K\n0.000000 0.000000 0.000000 Fe\n0.500000 0.500000 0.500000 Co\n0.187206 0.812794 0.187205 C\n0.812794 0.187206 0.812795 C\n0.187206 0.812794 0.812795 C\n0.812794 0.812794 0.187205 C\n0.812794 0.187206 0.187206 C\n0.187206 0.187206 0.812795 C\n0.695640 0.695640 0.304359 N\n0.304359 0.695640 0.695641 N\n0.695640 0.304359 0.695641 N\n0.304359 0.695640 0.304359 N\n0.695640 0.304359 0.304359 N\n0.304359 0.304359 0.695641 N\n",
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{
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"structure_string": "Ca2 Co12 P7\n1.0\n4.526726 -7.840518 -0.000000\n4.526726 7.840518 0.000000\n-0.000000 -0.000000 3.562412\nCa Co P\n2 12 7\ndirect\n0.666668 0.333333 0.500000 Ca\n0.333333 0.666668 0.000000 Ca\n0.564410 0.947023 0.500000 Co\n0.435419 0.058598 0.000000 Co\n0.623180 0.564582 0.000000 Co\n0.152283 0.271332 0.000000 Co\n0.119050 0.847718 0.000000 Co\n0.941403 0.376821 0.000000 Co\n0.894315 0.133957 0.500000 Co\n0.866044 0.760358 0.500000 Co\n0.239643 0.105686 0.500000 Co\n0.052978 0.617387 0.500000 Co\n0.382613 0.435591 0.500000 Co\n0.728669 0.880951 0.000000 Co\n0.708230 0.112938 0.000000 P\n0.000000 0.000000 0.000000 P\n0.404707 0.291771 0.000000 P\n0.598294 0.708513 0.500000 P\n0.291488 0.889782 0.500000 P\n0.110219 0.401707 0.500000 P\n0.887064 0.595294 0.000000 P\n",
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{
"id": "jvasp-10357",
"created_at": "2022-09-04T14:37:09.269525Z",
"updated_at": "2022-09-04T14:37:09.269544Z",
"structure_string": "Ca2 Mo4 O10\n1.0\n3.913150 -0.000000 -0.000000\n-1.956575 5.628314 0.000000\n-0.000000 0.000000 11.481405\nCa Mo O\n2 4 10\ndirect\n0.883266 0.766528 0.750000 Ca\n0.116736 0.233472 0.250000 Ca\n0.190029 0.380058 0.596804 Mo\n0.809973 0.619942 0.403195 Mo\n0.809973 0.619942 0.096805 Mo\n0.190029 0.380058 0.903196 Mo\n0.711473 0.422945 0.250000 O\n0.288528 0.577055 0.750000 O\n0.247630 0.495257 0.071897 O\n0.752373 0.504743 0.928103 O\n0.752373 0.504743 0.571897 O\n0.247630 0.495257 0.428102 O\n0.038079 0.076156 0.619111 O\n0.961922 0.923842 0.380888 O\n0.038079 0.076156 0.880888 O\n0.961922 0.923842 0.119112 O\n",
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}
]
}