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{
"id": "jvasp-22961",
"created_at": "2022-09-04T14:38:04.477945Z",
"updated_at": "2022-09-04T14:38:04.477967Z",
"structure_string": "Zr10 Ge6\n1.0\n4.049861 -7.014565 -0.000000\n4.049861 7.014565 -0.000000\n-0.000000 -0.000000 5.629287\nZr Ge\n10 6\ndirect\n0.253342 -0.000000 0.250000 Zr\n0.746658 -0.000000 0.750000 Zr\n0.253342 0.253342 0.750000 Zr\n-0.000000 0.253342 0.250000 Zr\n0.746658 0.746658 0.250000 Zr\n-0.000000 0.746658 0.750000 Zr\n0.333333 0.666667 0.500000 Zr\n0.666667 0.333333 0.000000 Zr\n0.666667 0.333333 0.500000 Zr\n0.333333 0.666667 0.000000 Zr\n-0.000000 0.612965 0.250000 Ge\n0.612965 0.612965 0.750000 Ge\n0.387035 -0.000000 0.750000 Ge\n0.612965 -0.000000 0.250000 Ge\n0.387035 0.387035 0.250000 Ge\n-0.000000 0.387035 0.750000 Ge\n",
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{
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"structure_string": "Li2 Mn4 B4 O12\n1.0\n5.601780 -0.008361 0.977961\n-0.005760 5.275444 0.023328\n-0.105185 0.026280 7.845097\nLi Mn B O\n2 4 4 12\ndirect\n0.046174 0.656071 0.257553 Li\n0.953736 0.344298 0.742675 Li\n0.194694 0.822783 0.559893 Mn\n0.350484 0.704193 0.918265 Mn\n0.650403 0.296169 0.083557 Mn\n0.804481 0.177591 0.437585 Mn\n0.152590 0.174749 0.094867 B\n0.321106 0.322593 0.419462 B\n0.678102 0.676198 0.581025 B\n0.848307 0.826440 0.904638 B\n0.860806 0.803614 0.471705 O\n0.692553 0.424355 0.612926 O\n0.488402 0.815733 0.667638 O\n0.334401 0.323373 0.005419 O\n0.666306 0.676613 0.993274 O\n0.168898 0.917541 0.104784 O\n0.308214 0.574356 0.385879 O\n0.138567 0.197008 0.529522 O\n0.044504 0.695314 0.811232 O\n0.957120 0.307205 0.188542 O\n0.509000 0.180328 0.333202 O\n0.831158 0.083469 0.896362 O\n",
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{
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"created_at": "2022-09-04T14:36:34.974881Z",
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"structure_string": "Nb12 Cu4 O32\n1.0\n5.117052 0.000000 0.000000\n0.000000 7.446139 -1.510324\n0.000000 -0.002446 15.045349\nNb Cu O\n12 4 32\ndirect\n0.740617 0.842266 0.832054 Nb\n0.751896 0.851996 0.335820 Nb\n0.251897 0.648004 0.164180 Nb\n0.248103 0.148003 0.664180 Nb\n0.748103 0.351996 0.835820 Nb\n0.247829 0.677622 0.424192 Nb\n0.240618 0.657733 0.667947 Nb\n0.752171 0.322378 0.575808 Nb\n0.252171 0.177621 0.924192 Nb\n0.759382 0.342266 0.332054 Nb\n0.259382 0.157734 0.167946 Nb\n0.747829 0.822378 0.075808 Nb\n0.754816 0.337712 0.080745 Cu\n0.745184 0.837711 0.580745 Cu\n0.245184 0.662288 0.919256 Cu\n0.254816 0.162288 0.419255 Cu\n0.421809 0.198597 0.785110 O\n0.100959 0.187479 0.039114 O\n0.399041 0.687479 0.539114 O\n0.899040 0.812521 0.960887 O\n0.078191 0.698597 0.285110 O\n0.578191 0.801403 0.214890 O\n0.921809 0.301402 0.714890 O\n0.600959 0.312521 0.460886 O\n0.575486 0.569817 0.344756 O\n0.103089 0.918827 0.655429 O\n0.075487 0.930182 0.155244 O\n0.424513 0.430182 0.655244 O\n0.924513 0.069817 0.844756 O\n0.072421 0.439980 0.400006 O\n0.572421 0.060019 0.099994 O\n0.927579 0.560019 0.599995 O\n0.427579 0.939980 0.900006 O\n0.921576 0.806536 0.454409 O\n0.421576 0.693464 0.045591 O\n0.396911 0.418827 0.155429 O\n0.078424 0.193464 0.545591 O\n0.425577 0.908203 0.401857 O\n0.925577 0.591796 0.098143 O\n0.574423 0.091796 0.598143 O\n0.074423 0.408203 0.901857 O\n0.575450 0.803103 0.716430 O\n0.075450 0.696897 0.783571 O\n0.424549 0.196897 0.283571 O\n0.924549 0.303103 0.216430 O\n0.603089 0.581173 0.844571 O\n0.578424 0.306536 0.954409 O\n0.896911 0.081173 0.344571 O\n",
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{
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"created_at": "2022-09-04T14:37:27.577022Z",
"updated_at": "2022-09-04T14:37:27.577044Z",
"structure_string": "Th1 Al8 Cr4\n1.0\n4.671581 0.000000 1.884080\n2.335790 6.383571 0.942040\n-0.051875 0.000000 6.862262\nTh Al Cr\n1 8 4\ndirect\n0.000000 0.000000 0.000000 Th\n0.725951 0.774049 0.774049 Al\n0.500001 0.225950 0.774049 Al\n0.500000 0.774049 0.225950 Al\n0.274050 0.225950 0.225950 Al\n0.655862 0.344138 0.344138 Al\n0.344138 0.655862 0.655862 Al\n0.000001 0.344138 0.655862 Al\n0.000000 0.655862 0.344138 Al\n0.000001 -0.000000 0.500000 Cr\n0.500000 0.500000 0.000000 Cr\n-0.000000 0.500000 -0.000000 Cr\n0.500000 -0.000000 0.500000 Cr\n",
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"formula_full": "Th1 Al8 Cr4",
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{
"id": "jvasp-52108",
"created_at": "2022-09-04T14:38:30.608601Z",
"updated_at": "2022-09-04T14:38:30.608631Z",
"structure_string": "Th1 Al8 Cr4\n1.0\n4.671580 0.000000 1.884079\n2.335790 6.383569 0.942040\n-0.051875 0.000000 6.862261\nTh Al Cr\n1 8 4\ndirect\n0.000000 0.000000 0.000000 Th\n0.725951 0.774049 0.774049 Al\n0.500001 0.225951 0.774049 Al\n0.500000 0.774049 0.225951 Al\n0.274050 0.225951 0.225951 Al\n0.655863 0.344138 0.344138 Al\n0.344138 0.655862 0.655862 Al\n0.000001 0.344138 0.655862 Al\n0.000000 0.655862 0.344138 Al\n0.000001 -0.000000 0.500000 Cr\n0.500000 0.500000 0.000000 Cr\n-0.000000 0.500000 -0.000000 Cr\n0.500000 -0.000000 0.500000 Cr\n",
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{
"id": "jvasp-69399",
"created_at": "2022-09-04T14:35:59.293088Z",
"updated_at": "2022-09-04T14:35:59.293115Z",
"structure_string": "Hf1 Mn1 Be2\n1.0\n-1.808561 1.808561 3.834744\n1.808561 -1.808561 3.834744\n1.808561 1.808561 -3.834744\nHf Mn Be\n1 1 2\ndirect\n0.499999 0.499999 0.000000 Hf\n0.749999 0.250000 0.500000 Mn\n0.000000 0.000000 0.000000 Be\n0.250000 0.749999 0.500000 Be\n",
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"spacegroup": 119
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{
"id": "jvasp-35134",
"created_at": "2022-09-04T14:37:33.213048Z",
"updated_at": "2022-09-04T14:37:33.213064Z",
"structure_string": "Ce3 Zr5 O16\n1.0\n7.456651 -0.043368 0.000000\n-0.043365 7.457127 0.000000\n0.000000 0.000000 5.317241\nCe Zr O\n3 5 16\ndirect\n0.005925 0.994069 0.999991 Ce\n0.750000 0.250000 0.500016 Ce\n0.494074 0.505931 0.999991 Ce\n0.250000 0.250000 0.498250 Zr\n0.999051 0.499038 0.000029 Zr\n0.250000 0.750000 0.500005 Zr\n0.500948 0.000962 0.000029 Zr\n0.749999 0.750000 0.501721 Zr\n0.473379 0.771811 0.214122 O\n0.739224 0.521446 0.276251 O\n0.729819 0.005958 0.777906 O\n0.478541 0.260792 0.723763 O\n0.505952 0.229841 0.222106 O\n0.760775 0.978554 0.276251 O\n0.228172 0.526635 0.785863 O\n0.271827 0.973365 0.785863 O\n0.026620 0.728189 0.214122 O\n0.267856 0.489390 0.303856 O\n0.510611 0.732108 0.696115 O\n0.021459 0.239208 0.723763 O\n0.994047 0.270158 0.222106 O\n0.232143 0.010610 0.303857 O\n0.989388 0.767893 0.696115 O\n0.770181 0.494042 0.777906 O\n",
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{
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"updated_at": "2022-09-04T14:37:01.720779Z",
"structure_string": "Er1 Si2 Ir2\n1.0\n3.821086 0.000000 -1.450365\n-0.550513 3.781220 -1.450365\n-0.009706 -0.011221 5.733067\nEr Si Ir\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Er\n0.620427 0.620427 0.240855 Si\n0.379573 0.379574 0.759147 Si\n0.250000 0.750000 0.500001 Ir\n0.750001 0.250000 0.500001 Ir\n",
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{
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"created_at": "2022-09-04T14:35:48.743671Z",
"updated_at": "2022-09-04T14:35:48.743689Z",
"structure_string": "Ti1 Be1 Nb1\n1.0\n1.487333 -2.576136 -0.000000\n1.487333 2.576136 0.000000\n0.000000 0.000000 6.104710\nTi Be Nb\n1 1 1\ndirect\n0.333332 0.666666 0.308366 Ti\n0.000000 0.000000 0.002922 Be\n0.666666 0.333332 0.688712 Nb\n",
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{
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"created_at": "2022-09-04T14:37:28.723140Z",
"updated_at": "2022-09-04T14:37:28.723168Z",
"structure_string": "Li2 Mn4 B4 O12\n1.0\n5.209526 -0.059381 -0.031121\n-2.288042 5.264983 -0.022638\n-0.066570 -2.564509 8.736989\nLi Mn B O\n2 4 4 12\ndirect\n0.254190 0.673088 0.189309 Li\n0.745811 0.326912 0.810691 Li\n0.760068 0.744335 0.398663 Mn\n0.277341 0.752014 0.870275 Mn\n0.722660 0.247985 0.129725 Mn\n0.239933 0.255664 0.601337 Mn\n0.780088 0.744342 0.054033 B\n0.274239 0.741640 0.530111 B\n0.725762 0.258360 0.469889 B\n0.219913 0.255658 0.945967 B\n0.622200 0.282067 0.606945 O\n0.141003 0.332790 0.825325 O\n0.664195 0.359349 0.358464 O\n0.887604 0.704721 0.919106 O\n0.112397 0.295279 0.080894 O\n0.566700 0.838822 0.070626 O\n0.858998 0.667209 0.174675 O\n0.377800 0.717932 0.393055 O\n0.088950 0.863106 0.559064 O\n0.911051 0.136894 0.440936 O\n0.335806 0.640651 0.641536 O\n0.433301 0.161177 0.929374 O\n",
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{
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"created_at": "2022-09-04T14:38:51.121881Z",
"updated_at": "2022-09-04T14:38:51.121916Z",
"structure_string": "Li2 Mn4 B4 O12\n1.0\n5.149711 0.001980 0.089847\n2.450512 4.529182 -0.090201\n0.084727 -0.141665 10.405046\nLi Mn B O\n2 4 4 12\ndirect\n0.513683 0.545527 0.255792 Li\n0.454439 0.486345 0.755814 Li\n0.951774 0.714963 0.625534 Mn\n0.015749 0.317169 0.386456 Mn\n0.285048 0.048222 0.125531 Mn\n0.682829 0.984259 0.886460 Mn\n0.004435 0.361461 0.877227 B\n0.638535 0.995560 0.377221 B\n0.329060 0.036502 0.634659 B\n0.963506 0.670943 0.134658 B\n0.299942 0.791307 0.641093 O\n0.208709 0.700041 0.141080 O\n0.941355 0.438661 0.196091 O\n0.561338 0.058656 0.696093 O\n0.406293 0.973301 0.315801 O\n0.138127 0.281514 0.567311 O\n0.829282 0.750738 0.444725 O\n0.249260 0.170692 0.944724 O\n0.718484 0.861896 0.067321 O\n0.667773 0.240660 0.370575 O\n0.026698 0.593699 0.815808 O\n0.759323 0.332245 0.870590 O\n",
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{
"id": "jvasp-55814",
"created_at": "2022-09-04T14:38:14.365634Z",
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"structure_string": "K2 Ni1 Pb1 N6 O12\n1.0\n6.452143 0.000000 3.725146\n2.150714 6.083138 3.725146\n0.000000 -0.000000 7.450293\nK Ni Pb N O\n2 1 1 6 12\ndirect\n0.250000 0.250001 0.250000 K\n0.749998 0.750000 0.750001 K\n0.000000 0.000000 0.000000 Ni\n0.499999 0.500000 0.500001 Pb\n0.195756 0.195755 0.804244 N\n0.804244 0.804245 0.195756 N\n0.195754 0.804245 0.195757 N\n0.804245 0.195755 0.804246 N\n0.195754 0.804245 0.804246 N\n0.804245 0.195755 0.195757 N\n0.154894 0.845105 0.359938 O\n0.640062 0.359938 0.845105 O\n0.845103 0.359938 0.154896 O\n0.640062 0.154894 0.359938 O\n0.359937 0.154894 0.845106 O\n0.359936 0.640063 0.154896 O\n0.845103 0.640063 0.359939 O\n0.640062 0.845105 0.154895 O\n0.154894 0.359938 0.640062 O\n0.154895 0.640063 0.845104 O\n0.359936 0.845105 0.640063 O\n0.845105 0.154894 0.640063 O\n",
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}