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{
"id": "jvasp-102174",
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"structure_string": "Ti3 S2\n1.0\n4.342348 0.002028 1.243027\n0.937673 4.239901 1.243027\n0.002524 0.002028 4.516758\nTi S\n3 2\ndirect\n-0.000001 0.337027 0.662974 Ti\n0.337026 0.662973 0.000001 Ti\n0.662973 0.000000 0.337027 Ti\n0.832302 0.832304 0.832305 S\n0.167696 0.167697 0.167697 S\n",
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{
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{
"id": "jvasp-34569",
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"structure_string": "Tm6 O9\n1.0\n3.420287 -0.000000 0.000000\n-1.710143 6.787604 -1.226649\n0.000000 0.006237 8.475327\nTm O\n6 9\ndirect\n0.635163 0.270323 0.486721 Tm\n0.691046 0.382090 0.137325 Tm\n0.308956 0.617910 0.862675 Tm\n0.032603 0.065206 0.814056 Tm\n0.364839 0.729677 0.513280 Tm\n0.967399 0.934794 0.185944 Tm\n0.127523 0.255046 0.281580 O\n0.207199 0.414399 0.623037 O\n0.529735 0.059469 0.656593 O\n0.872479 0.744954 0.718420 O\n0.825470 0.650936 0.031411 O\n0.500000 0.000000 -0.000000 O\n0.174532 0.349063 0.968589 O\n0.792802 0.585601 0.376962 O\n0.470266 0.940530 0.343407 O\n",
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"elements": [
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"volume": 196.78557656425198,
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{
"id": "jvasp-20564",
"created_at": "2022-09-04T14:38:16.035362Z",
"updated_at": "2022-09-04T14:38:16.035389Z",
"structure_string": "Ni3 Se2\n1.0\n4.245344 -0.000950 -0.052836\n-0.053486 4.245007 -0.052836\n-0.000939 -0.000950 4.245672\nNi Se\n3 2\ndirect\n0.247464 0.752536 -0.000001 Ni\n-0.000000 0.247465 0.752535 Ni\n0.752534 -0.000000 0.247464 Ni\n0.259005 0.259006 0.259005 Se\n0.740992 0.740994 0.740992 Se\n",
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{
"id": "jvasp-54612",
"created_at": "2022-09-04T14:38:34.577594Z",
"updated_at": "2022-09-04T14:38:34.577608Z",
"structure_string": "Ti4 Cu6\n1.0\n3.155955 0.000000 -0.000000\n0.000000 3.155955 -0.000000\n-0.000000 0.000000 13.944304\nTi Cu\n4 6\ndirect\n0.500001 0.500001 0.559873 Ti\n0.500001 0.500001 0.146028 Ti\n0.000000 0.000000 0.440129 Ti\n0.000000 0.000000 0.853972 Ti\n0.500001 0.500001 0.954757 Cu\n0.500001 0.500001 0.755121 Cu\n0.500001 0.500001 0.337393 Cu\n0.000000 0.000000 0.244877 Cu\n0.000000 0.000000 0.045243 Cu\n0.000000 0.000000 0.662606 Cu\n",
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{
"id": "jvasp-30452",
"created_at": "2022-09-04T14:38:06.874191Z",
"updated_at": "2022-09-04T14:38:06.874212Z",
"structure_string": "B4 S6\n1.0\n-5.449537 0.000000 -0.000000\n2.724768 -4.719438 0.000000\n-2.724769 1.573147 6.971583\nB S\n4 6\ndirect\n0.583815 0.416184 0.248554 B\n0.916185 0.083815 0.251445 B\n0.083815 0.916185 0.748555 B\n0.416185 0.583814 0.751446 B\n0.918910 0.418908 0.250000 S\n0.249999 0.081091 0.250000 S\n0.581092 0.750001 0.250000 S\n0.418908 0.250000 0.750000 S\n0.749998 0.918905 0.750000 S\n0.081092 0.581091 0.750000 S\n",
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{
"id": "jvasp-51439",
"created_at": "2022-09-04T14:37:19.551779Z",
"updated_at": "2022-09-04T14:37:19.551797Z",
"structure_string": "Zr3 Cd2\n1.0\n5.184790 -0.000000 0.000000\n-0.000000 5.574978 0.000000\n0.000000 0.000000 5.575245\nZr Cd\n3 2\ndirect\n0.000000 0.000000 0.000000 Zr\n0.000000 0.000000 0.500000 Zr\n0.000000 0.500000 0.000000 Zr\n0.000000 0.500000 0.500000 Cd\n0.500000 0.500000 0.500000 Cd\n",
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{
"id": "jvasp-21796",
"created_at": "2022-09-04T14:38:16.877134Z",
"updated_at": "2022-09-04T14:38:16.877156Z",
"structure_string": "Ho6 Pd4\n1.0\n7.724461 0.000000 0.000000\n-0.000000 7.724461 -0.000000\n0.000000 0.000000 3.891840\nHo Pd\n6 4\ndirect\n0.834954 0.665046 0.500000 Ho\n0.334954 0.834954 0.500000 Ho\n0.165046 0.334954 0.500000 Ho\n0.665046 0.165046 0.500000 Ho\n0.500000 0.500000 0.000000 Ho\n0.000000 0.000000 0.000000 Ho\n0.133200 0.633200 0.000000 Pd\n0.633200 0.866800 0.000000 Pd\n0.366800 0.133200 0.000000 Pd\n0.866800 0.366800 0.000000 Pd\n",
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{
"id": "jvasp-44801",
"created_at": "2022-09-04T14:38:04.364828Z",
"updated_at": "2022-09-04T14:38:04.364849Z",
"structure_string": "Mn4 O6\n1.0\n4.963893 0.000000 0.000000\n-2.481947 1.432952 4.552724\n2.481947 -4.298858 -0.000000\nMn O\n4 6\ndirect\n0.153264 0.459792 0.153265 Mn\n0.653263 0.959791 0.653265 Mn\n0.346735 0.040208 0.346735 Mn\n0.846735 0.540208 0.846736 Mn\n0.249999 0.749999 0.560036 O\n0.060035 0.250000 0.750000 O\n0.439964 0.250000 0.060035 O\n0.560034 0.749999 0.939965 O\n0.939963 0.749999 0.250000 O\n0.749999 0.250000 0.439965 O\n",
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{
"id": "jvasp-20291",
"created_at": "2022-09-04T14:37:35.652966Z",
"updated_at": "2022-09-04T14:37:35.652984Z",
"structure_string": "Sm16 O24\n1.0\n8.954383 -0.000000 -3.165853\n-4.477192 7.754724 -3.165853\n0.000000 0.000000 9.497558\nSm O\n16 24\ndirect\n0.250000 0.718879 0.468880 Sm\n0.500000 0.500000 0.500000 Sm\n-0.000000 -0.000000 0.500000 Sm\n0.500000 0.000000 0.000000 Sm\n-0.000000 0.500000 0.000000 Sm\n0.250000 0.218879 0.968880 Sm\n0.531120 0.750000 0.281121 Sm\n0.281121 0.531120 0.750000 Sm\n0.968879 0.250000 0.218880 Sm\n0.750000 0.281121 0.531121 Sm\n0.750000 0.781120 0.031121 Sm\n0.718879 0.468879 0.250000 Sm\n0.468879 0.250000 0.718880 Sm\n0.781120 0.031121 0.750000 Sm\n0.218879 0.968879 0.250000 Sm\n0.031121 0.750000 0.781121 Sm\n0.230121 0.458488 0.470752 O\n0.029248 0.487736 0.759369 O\n0.228367 0.269879 0.740631 O\n0.271632 0.012263 0.041512 O\n0.529248 0.769879 0.541512 O\n0.269879 0.740631 0.228368 O\n0.987736 0.958488 0.728368 O\n0.259369 0.771632 0.730121 O\n0.512263 0.240631 0.970752 O\n0.958488 0.728367 0.987737 O\n0.730120 0.259369 0.771633 O\n0.240631 0.970751 0.512264 O\n0.541512 0.529248 0.769880 O\n0.759369 0.029248 0.487737 O\n0.769879 0.541512 0.529249 O\n0.771632 0.730120 0.259369 O\n0.970751 0.512263 0.240631 O\n0.470751 0.230121 0.458488 O\n0.012263 0.041512 0.271632 O\n0.740631 0.228367 0.269880 O\n0.487736 0.759369 0.029249 O\n0.041512 0.271632 0.012263 O\n0.728367 0.987736 0.958489 O\n0.458488 0.470751 0.230121 O\n",
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{
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"structure_string": "Mg24 N16\n1.0\n8.149401 -0.000000 -2.881249\n-4.074700 7.057588 -2.881249\n0.000000 0.000000 8.643744\nMg N\n24 16\ndirect\n0.458336 0.465451 0.228582 Mg\n0.229754 0.271418 0.736868 Mg\n0.034550 0.492887 0.763131 Mg\n0.492887 0.763132 0.034549 Mg\n0.736869 0.229754 0.271418 Mg\n0.007113 0.041664 0.270246 Mg\n0.465450 0.228582 0.458336 Mg\n0.965450 0.507113 0.236868 Mg\n0.270246 0.007113 0.041664 Mg\n0.770246 0.728582 0.263131 Mg\n0.771418 0.541664 0.534549 Mg\n0.541664 0.534550 0.771418 Mg\n0.236869 0.965451 0.507113 Mg\n0.728582 0.263131 0.770245 Mg\n0.958336 0.729755 0.992886 Mg\n0.507113 0.236869 0.965450 Mg\n0.263132 0.770246 0.728582 Mg\n0.729754 0.992887 0.958336 Mg\n0.228582 0.458336 0.465450 Mg\n0.534550 0.771418 0.541663 Mg\n0.763131 0.034550 0.492886 Mg\n0.271418 0.736869 0.229754 Mg\n0.041664 0.270246 0.007113 Mg\n0.992887 0.958337 0.729754 Mg\n0.500000 0.000000 -0.000000 N\n-0.000000 -0.000000 0.500000 N\n0.500000 0.500000 0.500000 N\n0.250000 0.719208 0.469208 N\n0.030792 0.750000 0.780792 N\n0.780792 0.030792 0.749999 N\n0.469208 0.250000 0.719208 N\n0.750000 0.780792 0.030792 N\n0.750000 0.280792 0.530792 N\n0.969208 0.250000 0.219208 N\n0.219208 0.969208 0.250000 N\n0.530792 0.750000 0.280792 N\n0.280792 0.530792 0.750000 N\n0.250000 0.219208 0.969207 N\n0.719208 0.469208 0.250000 N\n0.000000 0.500000 0.000000 N\n",
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{
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"structure_string": "Cu2 As3\n1.0\n4.008939 0.000000 0.000000\n-2.004470 3.471843 0.000000\n-0.000000 -0.000000 6.329334\nCu As\n2 3\ndirect\n0.333333 0.666666 0.791904 Cu\n0.666667 0.333333 0.208095 Cu\n0.000000 0.000000 0.000000 As\n0.333333 0.666666 0.361209 As\n0.666667 0.333333 0.638790 As\n",
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}