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{
"id": "jvasp-86431",
"created_at": "2022-09-04T14:36:13.050068Z",
"updated_at": "2022-09-04T14:36:13.050097Z",
"structure_string": "Sm2 Cr2 Fe15\n1.0\n6.261498 0.014082 0.817901\n0.719822 6.220001 0.817901\n0.015771 0.014082 6.314671\nSm Cr Fe\n2 2 15\ndirect\n0.344410 0.344410 0.344410 Sm\n0.655590 0.655589 0.655589 Sm\n0.088892 0.088892 0.088892 Cr\n0.911108 0.911108 0.911108 Cr\n0.336675 0.845768 0.336675 Fe\n-0.000000 -0.000000 0.500000 Fe\n0.500000 -0.000000 -0.000000 Fe\n-0.000000 0.500000 -0.000000 Fe\n0.294113 0.705887 -0.000000 Fe\n-0.000000 0.294113 0.705887 Fe\n0.705887 0.294113 -0.000000 Fe\n-0.000000 0.705887 0.294113 Fe\n0.294113 -0.000000 0.705887 Fe\n0.663325 0.154231 0.663324 Fe\n0.663324 0.663324 0.154232 Fe\n0.154232 0.663324 0.663324 Fe\n0.845768 0.336675 0.336675 Fe\n0.336675 0.336675 0.845768 Fe\n0.705887 -0.000000 0.294113 Fe\n",
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{
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"structure_string": "Sr12 Mg4 Si8 O32\n1.0\n5.484179 0.000000 0.000000\n0.000000 9.470293 0.068233\n0.000000 0.099437 13.945488\nSr Mg Si O\n12 4 8 32\ndirect\n0.694246 0.250236 0.250049 Sr\n0.267839 0.423087 0.912251 Sr\n0.767839 0.576913 0.587749 Sr\n0.194246 0.749764 0.249951 Sr\n0.232161 0.423087 0.412251 Sr\n0.305754 0.749764 0.749951 Sr\n0.732149 0.923144 0.412118 Sr\n0.232149 0.076856 0.087882 Sr\n0.805754 0.250236 0.750049 Sr\n0.767851 0.923144 0.912118 Sr\n0.732161 0.576913 0.087749 Sr\n0.267851 0.076856 0.587882 Sr\n0.749992 0.249973 0.500043 Mg\n0.250008 0.750027 0.499957 Mg\n0.249992 0.750027 0.999957 Mg\n0.750008 0.249973 0.000043 Mg\n0.262479 0.410243 0.634947 Si\n0.762479 0.589757 0.865053 Si\n0.237563 0.089823 0.365115 Si\n0.237521 0.410243 0.134947 Si\n0.737563 0.910177 0.134885 Si\n0.262437 0.089823 0.865115 Si\n0.737522 0.589757 0.365053 Si\n0.762437 0.910177 0.634885 Si\n0.481755 0.676131 0.385381 O\n0.784251 0.066143 0.580632 O\n0.284251 0.933857 0.919368 O\n0.518245 0.323869 0.614619 O\n0.018245 0.676131 0.885381 O\n0.542379 0.673881 0.923552 O\n0.481707 0.823833 0.114603 O\n0.981755 0.323869 0.114619 O\n0.174459 0.077076 0.754950 O\n0.715749 0.066143 0.080632 O\n0.518294 0.176167 0.885397 O\n0.042379 0.326119 0.576449 O\n0.957489 0.826052 0.076281 O\n0.215780 0.566172 0.080622 O\n0.457489 0.173948 0.423719 O\n0.215749 0.933857 0.419368 O\n0.981707 0.176167 0.385397 O\n0.284220 0.566172 0.580622 O\n0.825131 0.576806 0.254859 O\n0.042511 0.173948 0.923719 O\n0.674459 0.922924 0.745050 O\n0.715780 0.433828 0.419378 O\n0.825541 0.922924 0.245050 O\n0.174870 0.423194 0.745141 O\n0.018293 0.823833 0.614603 O\n0.542512 0.826052 0.576281 O\n0.674870 0.576806 0.754859 O\n0.325130 0.423194 0.245141 O\n0.784220 0.433828 0.919378 O\n0.325541 0.077076 0.254950 O\n0.457621 0.326119 0.076448 O\n0.957622 0.673881 0.423551 O\n",
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],
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"volume": 724.2465605393239,
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"formula_full": "Sr12 Mg4 Si8 O32",
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{
"id": "jvasp-8342",
"created_at": "2022-09-04T14:37:07.066892Z",
"updated_at": "2022-09-04T14:37:07.066914Z",
"structure_string": "Mn2 Zn1 N2\n1.0\n3.605723 0.000000 0.000000\n0.000000 3.605620 0.000000\n0.000000 0.000000 4.973881\nMn Zn N\n2 1 2\ndirect\n0.500000 0.500000 0.003484 Mn\n0.500000 0.500000 0.496520 Mn\n0.000000 0.000000 0.749995 Zn\n0.000000 0.500000 0.495587 N\n0.500000 0.000000 0.004414 N\n",
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{
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"created_at": "2022-09-04T14:37:55.537990Z",
"updated_at": "2022-09-04T14:37:55.538022Z",
"structure_string": "Lu2 Ta2 O5\n1.0\n3.463243 0.000000 0.000000\n0.000000 3.463243 0.000000\n0.000000 -0.000000 9.704473\nLu Ta O\n2 2 5\ndirect\n0.500000 0.500000 0.734623 Lu\n0.500000 0.500000 0.265377 Lu\n0.000000 0.000000 0.000000 Ta\n0.000000 0.000000 0.500000 Ta\n0.500000 0.000000 0.875497 O\n0.500000 0.000000 0.124503 O\n0.500000 0.500000 0.500000 O\n0.000000 0.500000 0.875497 O\n0.000000 0.500000 0.124503 O\n",
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{
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"structure_string": "B2 Pd4\n1.0\n3.166050 0.000000 0.000000\n0.000000 4.716051 0.000000\n0.000000 0.000000 5.196948\nB Pd\n2 4\ndirect\n0.500000 0.500000 0.500000 B\n0.000000 0.000000 0.000000 B\n0.500000 0.753104 0.156302 Pd\n0.500000 0.246896 0.843699 Pd\n0.000000 0.746896 0.656302 Pd\n0.000000 0.253104 0.343699 Pd\n",
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"formula_full": "B2 Pd4",
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{
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"created_at": "2022-09-04T14:37:31.370582Z",
"updated_at": "2022-09-04T14:37:31.370612Z",
"structure_string": "Mo3 O8\n1.0\n4.459067 -0.424794 -2.181276\n-0.889866 5.288795 -2.849075\n-0.791787 -0.061977 6.604609\nMo O\n3 8\ndirect\n0.499999 0.999998 -0.000000 Mo\n0.999999 0.708949 -0.000000 Mo\n0.999999 0.291052 -0.000000 Mo\n-0.027497 0.370867 0.741736 O\n0.027495 0.629131 0.258264 O\n0.020789 0.890897 0.781797 O\n0.979209 0.109101 0.218201 O\n0.465288 0.334127 0.211462 O\n0.465287 0.877334 0.211462 O\n0.534712 0.122664 0.788538 O\n0.534712 0.665872 0.788538 O\n",
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"spacegroup": 12
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{
"id": "jvasp-120469",
"created_at": "2022-09-04T14:38:52.771882Z",
"updated_at": "2022-09-04T14:38:52.771909Z",
"structure_string": "Sc4 Be2 B4 Ir10\n1.0\n9.320418 0.000000 0.000000\n0.000000 9.320418 0.000000\n-0.000000 0.000000 2.977485\nSc Be B Ir\n4 2 4 10\ndirect\n0.676421 0.176420 -0.000000 Sc\n0.323580 0.823580 -0.000000 Sc\n0.176420 0.323580 -0.000000 Sc\n0.823580 0.676421 -0.000000 Sc\n0.000000 0.000000 0.000000 Be\n0.500000 0.500000 -0.000000 Be\n0.628576 0.871424 -0.000000 B\n0.371424 0.128576 -0.000000 B\n0.128576 0.628576 -0.000000 B\n0.871424 0.371424 -0.000000 B\n0.500000 0.000000 0.500001 Ir\n0.208265 0.067269 0.500001 Ir\n0.791735 0.932731 0.500001 Ir\n0.067269 0.791735 0.500001 Ir\n0.708266 0.432731 0.500001 Ir\n0.932731 0.208265 0.500001 Ir\n0.291735 0.567269 0.500001 Ir\n0.567269 0.708266 0.500001 Ir\n0.432731 0.291735 0.500001 Ir\n-0.000000 0.500000 0.500001 Ir\n",
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{
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"created_at": "2022-09-04T14:36:16.622552Z",
"updated_at": "2022-09-04T14:36:16.622567Z",
"structure_string": "Be2 Nb1 Os1\n1.0\n2.972370 -0.000000 -0.000000\n-0.000000 2.972370 0.000000\n-0.000000 -0.000000 5.855091\nBe Nb Os\n2 1 1\ndirect\n0.000000 0.000000 0.003000 Be\n0.500000 0.500000 0.198918 Be\n0.000000 0.000000 0.505102 Nb\n0.500000 0.500000 0.792979 Os\n",
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{
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"created_at": "2022-09-04T14:37:06.373538Z",
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{
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"structure_string": "Mn4 F12\n1.0\n7.455052 -0.000000 0.000000\n0.000000 5.168489 0.000254\n-0.000000 -0.000106 5.369926\nMn F\n4 12\ndirect\n0.000000 0.000000 0.000000 Mn\n0.500000 -0.000000 -0.000000 Mn\n-0.000000 0.500000 0.500000 Mn\n0.500000 0.500000 0.500000 Mn\n0.250000 0.095183 0.982979 F\n0.547161 0.298362 0.205290 F\n0.952838 0.298362 0.205290 F\n0.047258 0.798364 0.294703 F\n0.452742 0.798364 0.294703 F\n0.750000 0.595283 0.516854 F\n0.250000 0.404716 0.483146 F\n0.547258 0.201635 0.705297 F\n0.952742 0.201635 0.705297 F\n0.047161 0.701638 0.794710 F\n0.452839 0.701638 0.794710 F\n0.750000 0.904816 0.017021 F\n",
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{
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"structure_string": "K2 Zr1 B2 O6\n1.0\n4.839829 -0.028782 4.409628\n1.930016 4.438447 4.409628\n-0.044187 -0.028782 6.547276\nK Zr B O\n2 1 2 6\ndirect\n0.789768 0.789770 0.789768 K\n0.210232 0.210232 0.210232 K\n0.000000 0.000000 0.000000 Zr\n0.595106 0.595108 0.595107 B\n0.404893 0.404894 0.404893 B\n0.744739 0.295034 0.744740 O\n0.255260 0.255261 0.704967 O\n0.704967 0.255261 0.255261 O\n0.255261 0.704967 0.255260 O\n0.744739 0.744740 0.295033 O\n0.295033 0.744740 0.744739 O\n",
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{
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"created_at": "2022-09-04T14:37:17.530259Z",
"updated_at": "2022-09-04T14:37:17.530279Z",
"structure_string": "Mo3 O8\n1.0\n4.451125 -0.433596 -2.195134\n-0.889917 5.289102 -2.849240\n-0.771638 -0.057502 6.606999\nMo O\n3 8\ndirect\n0.499999 0.999998 -0.000001 Mo\n0.999997 0.708932 -0.000001 Mo\n0.999997 0.291066 -0.000000 Mo\n-0.027523 0.370856 0.741712 O\n0.027522 0.629143 0.258288 O\n0.020727 0.890873 0.781746 O\n0.979271 0.109125 0.218252 O\n0.465341 0.334136 0.211483 O\n0.465340 0.877346 0.211483 O\n0.534658 0.122652 0.788517 O\n0.534658 0.665863 0.788516 O\n",
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}
]
}