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{
"id": "jvasp-34609",
"created_at": "2022-09-04T14:37:12.525547Z",
"updated_at": "2022-09-04T14:37:12.525567Z",
"structure_string": "K2 Br2 F8\n1.0\n-5.671237 -0.022077 -0.020488\n0.026467 -6.549318 0.146677\n2.801876 3.040331 5.767757\nK Br F\n2 2 8\ndirect\n0.500000 0.500000 0.000000 K\n0.000000 0.000000 0.000000 K\n0.665160 0.249981 0.499942 Br\n0.334840 0.750020 0.500059 Br\n0.506088 0.953650 0.246214 F\n0.211036 0.688649 0.733469 F\n0.240392 0.453722 0.246339 F\n0.977788 0.811326 0.266568 F\n0.759607 0.546279 0.753662 F\n0.493912 0.046351 0.753787 F\n0.788964 0.311352 0.266532 F\n0.022212 0.188675 0.733432 F\n",
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{
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"structure_string": "U2 Rh4 O12\n1.0\n4.793150 -0.000000 0.000000\n0.000000 4.793150 0.000000\n0.000000 0.000000 9.418840\nU Rh O\n2 4 12\ndirect\n0.000000 0.000000 0.000000 U\n0.500000 0.500000 0.500000 U\n0.000000 0.000000 0.329905 Rh\n0.500000 0.500000 0.829905 Rh\n0.000000 0.000000 0.670095 Rh\n0.500000 0.500000 0.170095 Rh\n0.686672 0.686672 0.000000 O\n0.813328 0.186672 0.500000 O\n0.186672 0.813328 0.500000 O\n0.313328 0.313328 0.000000 O\n0.797603 0.202397 0.832214 O\n0.702397 0.702397 0.332214 O\n0.202397 0.797603 0.167786 O\n0.297603 0.297603 0.332214 O\n0.297603 0.297603 0.667786 O\n0.702397 0.702397 0.667786 O\n0.797603 0.202397 0.167786 O\n0.202397 0.797603 0.832214 O\n",
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"spacegroup": 136
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{
"id": "jvasp-47436",
"created_at": "2022-09-04T14:38:08.380694Z",
"updated_at": "2022-09-04T14:38:08.380713Z",
"structure_string": "Li8 Mn4 O8 F4\n1.0\n5.169110 0.000000 0.122195\n-2.584555 4.366385 -0.061098\n-1.502272 0.000000 9.552390\nLi Mn O F\n8 4 8 4\ndirect\n0.195124 0.870368 0.507405 Li\n0.000001 0.500001 -0.000000 Li\n0.069083 0.138167 0.250000 Li\n0.675245 0.870368 0.992595 Li\n0.500001 0.500001 0.500000 Li\n0.324757 0.129633 0.007405 Li\n0.930919 0.861834 0.750000 Li\n0.804878 0.129633 0.492595 Li\n0.579207 0.158413 0.750000 Mn\n0.744514 0.489027 0.250000 Mn\n0.255488 0.510974 0.750000 Mn\n0.420795 0.841588 0.250000 Mn\n0.059833 0.803639 0.146796 O\n0.298632 0.824900 0.868862 O\n0.526270 0.824900 0.631138 O\n0.256194 0.196362 0.646796 O\n0.743808 0.803639 0.353204 O\n0.473732 0.175101 0.368862 O\n0.701370 0.175101 0.131139 O\n0.940169 0.196362 0.853204 O\n0.347298 0.474620 0.114076 F\n0.127323 0.474620 0.385924 F\n0.652704 0.525381 0.885925 F\n0.872679 0.525381 0.614076 F\n",
"nsites": 24,
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"volume": 216.40207863258604,
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"formula_full": "Li8 Mn4 O8 F4",
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{
"id": "jvasp-90422",
"created_at": "2022-09-04T14:36:10.861807Z",
"updated_at": "2022-09-04T14:36:10.861835Z",
"structure_string": "Sm2 Bi4 Au2\n1.0\n4.732044 -0.000000 0.000000\n0.000000 4.732044 -0.000000\n0.000000 0.000000 9.664747\nSm Bi Au\n2 4 2\ndirect\n0.250000 0.250000 0.224713 Sm\n0.749999 0.749999 0.775287 Sm\n0.749999 0.749999 0.197852 Bi\n0.250000 0.250000 0.802148 Bi\n0.749999 0.250000 0.500000 Bi\n0.250000 0.749999 0.500000 Bi\n0.749999 0.250000 0.000000 Au\n0.250000 0.749999 0.000000 Au\n",
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"spacegroup": 129
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{
"id": "jvasp-14118",
"created_at": "2022-09-04T14:37:01.300839Z",
"updated_at": "2022-09-04T14:37:01.300856Z",
"structure_string": "Sm4 Co4 O12\n1.0\n5.271143 0.000000 0.000000\n0.000000 5.463585 0.000000\n0.000000 0.000000 7.515500\nSm Co O\n4 4 12\ndirect\n0.014367 0.939375 0.750000 Sm\n0.514366 0.560624 0.250000 Sm\n0.485633 0.439375 0.750000 Sm\n0.985633 0.060625 0.250000 Sm\n0.500000 0.000000 0.500000 Co\n0.000000 0.500000 0.500000 Co\n0.000000 0.500000 0.000000 Co\n0.500000 0.000000 0.000000 Co\n0.585230 0.017297 0.750000 O\n0.085230 0.482703 0.250000 O\n0.701346 0.295291 0.043973 O\n0.201346 0.204709 0.956027 O\n0.798654 0.795290 0.456027 O\n0.201346 0.204709 0.543973 O\n0.298654 0.704709 0.956027 O\n0.798654 0.795290 0.043973 O\n0.914769 0.517296 0.750000 O\n0.701346 0.295291 0.456027 O\n0.298654 0.704709 0.543973 O\n0.414769 0.982702 0.250000 O\n",
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"volume": 216.44142344374117,
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"formula_full": "Sm4 Co4 O12",
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{
"id": "jvasp-10326",
"created_at": "2022-09-04T14:37:16.299888Z",
"updated_at": "2022-09-04T14:37:16.299915Z",
"structure_string": "Zn2 Sn4 O10\n1.0\n3.967517 -0.000000 -0.000000\n-1.983757 5.240512 0.000000\n-0.000000 0.000000 10.410376\nZn Sn O\n2 4 10\ndirect\n0.818714 0.637427 0.750000 Zn\n0.181287 0.362574 0.250000 Zn\n0.136153 0.272306 0.567440 Sn\n0.863848 0.727694 0.432560 Sn\n0.863848 0.727694 0.067441 Sn\n0.136153 0.272306 0.932561 Sn\n0.774395 0.548788 0.250000 O\n0.225606 0.451212 0.750000 O\n0.306669 0.613337 0.060398 O\n0.693333 0.386664 0.939602 O\n0.693333 0.386664 0.560398 O\n0.306669 0.613337 0.439601 O\n0.948568 0.897134 0.613324 O\n0.051432 0.102865 0.386676 O\n0.948568 0.897134 0.886676 O\n0.051432 0.102865 0.113325 O\n",
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{
"id": "jvasp-17734",
"created_at": "2022-09-04T14:38:14.949387Z",
"updated_at": "2022-09-04T14:38:14.949406Z",
"structure_string": "Tm3 Ag3 Pb3\n1.0\n3.746325 -6.488824 -0.000000\n3.746325 6.488824 0.000000\n-0.000000 0.000000 4.452145\nTm Ag Pb\n3 3 3\ndirect\n-0.000000 0.424626 0.499999 Tm\n0.575373 0.575373 0.499999 Tm\n0.424626 -0.000000 0.499999 Tm\n0.250263 0.250263 0.000000 Ag\n0.749736 -0.000000 0.000000 Ag\n-0.000000 0.749736 0.000000 Ag\n0.000000 0.000000 0.499999 Pb\n0.333332 0.666666 0.000000 Pb\n0.666666 0.333332 0.000000 Pb\n",
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{
"id": "jvasp-47442",
"created_at": "2022-09-04T14:38:02.858227Z",
"updated_at": "2022-09-04T14:38:02.858244Z",
"structure_string": "Li8 Mn4 O8 F4\n1.0\n2.907935 4.252172 -0.058339\n-2.907935 4.252172 0.058339\n-3.074682 0.000000 8.814670\nLi Mn O F\n8 4 8 4\ndirect\n0.119571 0.631466 0.728227 Li\n0.368533 0.880428 0.228227 Li\n0.042308 0.189925 0.606002 Li\n0.210006 0.045042 0.911178 Li\n0.810074 0.957692 0.106002 Li\n0.954958 0.789994 0.411178 Li\n0.615916 0.122796 0.745655 Li\n0.877204 0.384084 0.245655 Li\n0.455753 0.299909 0.416102 Mn\n0.294560 0.454121 0.093161 Mn\n0.700091 0.544246 0.916102 Mn\n0.545879 0.705440 0.593161 Mn\n0.376352 0.854950 0.760195 O\n0.748891 0.955411 0.573488 O\n0.333442 0.468965 0.572368 O\n0.145049 0.623648 0.260195 O\n0.861470 0.407078 0.756194 O\n0.044588 0.251108 0.073488 O\n0.531034 0.666557 0.072368 O\n0.592921 0.138530 0.256194 O\n0.745082 0.530880 0.413561 F\n0.469120 0.254917 0.913561 F\n0.966628 0.809432 0.923870 F\n0.190567 0.033372 0.423870 F\n",
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{
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"created_at": "2022-09-04T14:36:16.433008Z",
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"structure_string": "Ba4 Hg1 Ir1\n1.0\n0.000000 4.765665 4.765665\n4.765665 0.000000 4.765665\n4.765665 4.765665 0.000000\nBa Hg Ir\n4 1 1\ndirect\n0.122256 0.625915 0.625915 Ba\n0.625915 0.625915 0.625915 Ba\n0.625915 0.122256 0.625915 Ba\n0.625915 0.625915 0.122256 Ba\n0.250000 0.250000 0.250000 Hg\n0.000000 0.000000 0.000000 Ir\n",
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{
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"created_at": "2022-09-04T14:36:03.784632Z",
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"structure_string": "Hg6 Bi2\n1.0\n6.553155 0.000000 0.000000\n-3.276578 5.675199 0.000000\n0.000000 0.000000 5.820841\nHg Bi\n6 2\ndirect\n0.166368 0.332735 0.250000 Hg\n0.667265 0.833633 0.250000 Hg\n0.166367 0.833633 0.250000 Hg\n0.833633 0.667265 0.750000 Hg\n0.332735 0.166368 0.750000 Hg\n0.833633 0.166368 0.750000 Hg\n0.333333 0.666667 0.750000 Bi\n0.666667 0.333333 0.250000 Bi\n",
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{
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"created_at": "2022-09-04T14:37:17.110890Z",
"updated_at": "2022-09-04T14:37:17.110915Z",
"structure_string": "Sm6 Au2\n1.0\n6.900572 0.000354 0.000282\n-3.449980 5.976415 -0.000299\n0.000214 -0.000138 5.249030\nSm Au\n6 2\ndirect\n0.176531 0.353102 0.250014 Sm\n0.646916 0.823488 0.250012 Sm\n0.176504 0.823504 0.249979 Sm\n0.823473 0.646901 0.749987 Sm\n0.353081 0.176505 0.749989 Sm\n0.823491 0.176504 0.750021 Sm\n0.333329 0.666670 0.750001 Au\n0.666673 0.333331 0.250000 Au\n",
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{
"id": "jvasp-21644",
"created_at": "2022-09-04T14:38:33.619479Z",
"updated_at": "2022-09-04T14:38:33.619500Z",
"structure_string": "Lu4 Ge4 Ir4\n1.0\n4.247968 0.000000 0.000000\n0.000000 6.706580 0.000000\n0.000000 0.000000 7.598635\nLu Ge Ir\n4 4 4\ndirect\n0.750000 0.509935 0.808139 Lu\n0.250000 0.990065 0.308139 Lu\n0.750000 0.009935 0.691862 Lu\n0.250000 0.490065 0.191862 Lu\n0.250000 0.712718 0.613186 Ge\n0.250000 0.212718 0.886814 Ge\n0.750000 0.287282 0.386814 Ge\n0.750000 0.787282 0.113186 Ge\n0.250000 0.834303 0.935709 Ir\n0.250000 0.334303 0.564292 Ir\n0.750000 0.665697 0.435709 Ir\n0.750000 0.165697 0.064291 Ir\n",
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"formula_full": "Lu4 Ge4 Ir4",
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}
]
}