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{
"id": "jvasp-98737",
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"structure_string": "Mn4 Tl4 Cl12\n1.0\n7.047352 -0.000000 0.000000\n0.000000 7.045364 0.000000\n0.000000 0.000000 10.054376\nMn Tl Cl\n4 4 12\ndirect\n0.000000 0.500000 0.000000 Mn\n0.500000 0.000000 0.500000 Mn\n0.500000 0.000000 0.000000 Mn\n0.000000 0.500000 0.500000 Mn\n0.970927 0.004698 0.750000 Tl\n0.529073 0.504698 0.250000 Tl\n0.029073 0.995301 0.250000 Tl\n0.470927 0.495301 0.750000 Tl\n0.499726 0.045768 0.250000 Cl\n-0.000274 0.454232 0.250000 Cl\n0.716694 0.283461 0.522847 Cl\n0.716694 0.283461 0.977153 Cl\n0.216694 0.216539 0.522847 Cl\n0.783305 0.783461 0.022847 Cl\n0.283306 0.716539 0.477153 Cl\n0.283306 0.716539 0.022847 Cl\n0.783305 0.783461 0.477153 Cl\n0.216694 0.216539 0.977153 Cl\n0.500273 0.954231 0.750000 Cl\n0.000274 0.545768 0.750000 Cl\n",
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{
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"structure_string": "Pt4 C4 I8 O4\n1.0\n6.659706 -0.018218 -1.765702\n-1.569213 6.567447 -1.369646\n0.026379 0.151458 12.899424\nPt C I O\n4 4 8 4\ndirect\n0.811098 0.092079 0.080046 Pt\n0.188903 0.907921 0.919954 Pt\n0.512034 0.731052 0.419954 Pt\n0.487967 0.268948 0.580046 Pt\n0.702721 0.571202 0.411985 C\n0.659217 0.290736 0.088015 C\n0.340784 0.709265 0.911985 C\n0.297280 0.428799 0.588015 C\n0.771520 0.050058 0.576207 I\n0.973852 0.195313 0.923793 I\n0.339559 0.048091 0.770699 I\n0.777393 0.568859 0.729301 I\n0.228481 0.949942 0.423793 I\n0.660443 0.951909 0.229301 I\n0.222609 0.431141 0.270699 I\n0.026150 0.804688 0.076207 I\n0.566703 0.414193 0.096220 O\n0.433299 0.585808 0.903779 O\n0.182028 0.529519 0.596220 O\n0.817973 0.470482 0.403780 O\n",
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{
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"updated_at": "2022-09-04T14:35:47.295470Z",
"structure_string": "Li4 Fe4 F12\n1.0\n5.492570 4.454295 0.074820\n-5.492570 4.454295 -0.074820\n-1.961722 0.000000 5.048208\nLi Fe F\n4 4 12\ndirect\n0.207148 0.616723 0.817609 Li\n0.383276 0.792851 0.317609 Li\n0.616723 0.207148 0.682391 Li\n0.792851 0.383276 0.182391 Li\n0.079233 0.079233 0.750000 Fe\n0.715845 0.715844 0.750000 Fe\n0.284154 0.284154 0.250000 Fe\n0.920766 0.920766 0.250000 Fe\n0.865417 0.659068 0.143207 F\n0.574695 0.287537 0.316685 F\n0.340931 0.134582 0.643207 F\n0.712462 0.425304 0.816686 F\n0.287537 0.574695 0.183315 F\n0.205289 0.981545 0.171220 F\n0.425304 0.712462 0.683315 F\n0.134582 0.340931 0.856794 F\n0.794710 0.018453 0.828781 F\n0.018454 0.794710 0.671220 F\n0.659068 0.865417 0.356793 F\n0.981546 0.205289 0.328780 F\n",
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{
"id": "jvasp-98216",
"created_at": "2022-09-04T14:35:58.697717Z",
"updated_at": "2022-09-04T14:35:58.697734Z",
"structure_string": "Ca4 Cr4 O12\n1.0\n5.277238 0.000000 0.000000\n0.000000 5.352945 0.000000\n0.000000 0.000000 7.483877\nCa Cr O\n4 4 12\ndirect\n0.008353 0.957891 0.750000 Ca\n0.508353 0.542109 0.250000 Ca\n0.491647 0.457890 0.750000 Ca\n0.991647 0.042108 0.250000 Ca\n0.500000 0.000000 0.500000 Cr\n0.000000 0.499999 0.000000 Cr\n0.500000 0.000000 0.000000 Cr\n0.000000 0.499999 0.500000 Cr\n0.791110 0.790196 0.462077 O\n0.291109 0.709802 0.537924 O\n0.927379 0.514045 0.750000 O\n0.291109 0.709802 0.962076 O\n0.791110 0.790196 0.037923 O\n0.208891 0.209803 0.537924 O\n0.708891 0.290198 0.462077 O\n0.072621 0.485954 0.250000 O\n0.572621 0.014045 0.750000 O\n0.427379 0.985955 0.250000 O\n0.708891 0.290198 0.037923 O\n0.208891 0.209803 0.962076 O\n",
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{
"id": "jvasp-43264",
"created_at": "2022-09-04T14:36:02.646067Z",
"updated_at": "2022-09-04T14:36:02.646085Z",
"structure_string": "Li2 Bi6 I4 O8\n1.0\n-3.981743 3.981743 -0.000000\n1.990871 -1.990871 6.705070\n7.951925 7.951925 0.000000\nLi Bi I O\n2 6 4 8\ndirect\n0.785064 0.570131 -0.000000 Li\n0.214935 0.429869 0.500000 Li\n0.157937 0.315874 -0.000000 Bi\n0.665428 0.330855 0.255600 Bi\n0.334572 0.669145 0.244401 Bi\n0.842063 0.684126 0.500000 Bi\n0.665428 0.330855 0.744401 Bi\n0.334572 0.669145 0.755600 Bi\n0.000000 0.000000 0.750000 I\n0.497998 0.995995 0.500000 I\n0.000000 0.000000 0.250000 I\n0.502001 0.004005 -0.000000 I\n0.491989 0.488420 0.125996 O\n0.996429 0.488420 0.125996 O\n0.508010 0.511580 0.374004 O\n0.003570 0.511580 0.374004 O\n0.508010 0.511580 0.625996 O\n0.491989 0.488420 0.874005 O\n0.003570 0.511580 0.625996 O\n0.996429 0.488420 0.874005 O\n",
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"formula_full": "Li2 Bi6 I4 O8",
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{
"id": "jvasp-98475",
"created_at": "2022-09-04T14:35:47.204228Z",
"updated_at": "2022-09-04T14:35:47.204246Z",
"structure_string": "Ca2 Mn2 Si4 O12\n1.0\n5.196130 -0.021263 0.999014\n1.186152 6.622948 0.601187\n-0.023994 0.025241 6.755043\nCa Mn Si O\n2 2 4 12\ndirect\n0.750001 0.302589 0.697411 Ca\n0.250000 0.697411 0.302588 Ca\n0.250000 0.095700 0.904300 Mn\n0.749999 0.904301 0.095699 Mn\n0.734105 0.805628 0.619746 Si\n0.765895 0.380255 0.194371 Si\n0.234106 0.619746 0.805628 Si\n0.265895 0.194371 0.380255 Si\n0.152404 0.786536 0.973542 O\n0.347598 0.026459 0.213464 O\n0.509603 0.326487 0.372450 O\n0.668563 0.608621 0.117800 O\n0.831435 0.882202 0.391380 O\n0.331436 0.391380 0.882201 O\n0.168564 0.117800 0.608620 O\n0.009602 0.372451 0.326487 O\n0.490398 0.673515 0.627549 O\n-0.009603 0.627550 0.673515 O\n0.847597 0.213465 0.026459 O\n0.652403 0.973542 0.786535 O\n",
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{
"id": "jvasp-57459",
"created_at": "2022-09-04T14:38:35.722855Z",
"updated_at": "2022-09-04T14:38:35.722886Z",
"structure_string": "Cd4 Bi4 S8 Cl4\n1.0\n4.015101 0.000000 0.000000\n0.000000 9.493691 0.000000\n0.000000 0.000000 12.703806\nCd Bi S Cl\n4 4 8 4\ndirect\n0.750000 0.496537 0.738300 Cd\n0.250000 0.503462 0.261700 Cd\n0.750000 0.996537 0.761700 Cd\n0.250000 0.003463 0.238300 Cd\n0.250000 0.300467 0.976289 Bi\n0.250000 0.800467 0.523712 Bi\n0.750000 0.199533 0.476289 Bi\n0.750000 0.699533 0.023712 Bi\n0.250000 0.748080 0.167928 S\n0.250000 0.553929 0.889103 S\n0.750000 0.446070 0.110897 S\n0.750000 0.751920 0.667928 S\n0.250000 0.248080 0.332073 S\n0.750000 0.946070 0.389103 S\n0.750000 0.251920 0.832073 S\n0.250000 0.053930 0.610897 S\n0.250000 0.427548 0.604142 Cl\n0.750000 0.572452 0.395858 Cl\n0.750000 0.072452 0.104142 Cl\n0.250000 0.927548 0.895859 Cl\n",
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{
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"created_at": "2022-09-04T14:38:32.596954Z",
"updated_at": "2022-09-04T14:38:32.596987Z",
"structure_string": "Mn4 Se4 O12\n1.0\n5.190947 -0.000000 0.000000\n0.000000 6.061238 0.000000\n0.000000 0.000000 7.866790\nMn Se O\n4 4 12\ndirect\n0.500000 0.000000 0.000000 Mn\n0.000000 0.500000 0.000000 Mn\n0.000000 0.500000 0.500000 Mn\n0.500000 0.000000 0.500000 Mn\n0.982991 0.019980 0.250000 Se\n0.482991 0.480020 0.750000 Se\n0.517010 0.519981 0.250000 Se\n0.017010 0.980020 0.750000 Se\n0.813733 0.425296 0.750000 O\n0.313732 0.074704 0.250000 O\n0.864644 0.181683 0.080891 O\n0.364644 0.318317 0.919109 O\n0.635357 0.681683 0.419109 O\n0.364644 0.318317 0.580891 O\n0.135357 0.818318 0.919109 O\n0.635357 0.681683 0.080891 O\n0.186268 0.574704 0.250000 O\n0.864644 0.181683 0.419109 O\n0.135357 0.818318 0.580891 O\n0.686268 0.925296 0.750000 O\n",
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{
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"created_at": "2022-09-04T14:38:32.629241Z",
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"structure_string": "Tm8 C12\n1.0\n6.591387 0.000000 -2.330408\n-3.295694 5.708309 -2.330408\n0.000000 0.000000 6.991222\nTm C\n8 12\ndirect\n0.100774 0.100773 0.100773 Tm\n0.000001 0.899227 0.500000 Tm\n0.500000 -0.000000 0.899226 Tm\n0.000000 0.399227 0.500000 Tm\n0.500000 -0.000000 0.399226 Tm\n0.399227 0.500000 -0.000000 Tm\n0.600774 0.600773 0.600773 Tm\n0.899227 0.500000 -0.000000 Tm\n0.792160 0.042159 0.750000 C\n0.042160 0.750000 0.792159 C\n0.750001 0.792159 0.042159 C\n0.707841 0.457841 0.250000 C\n0.250001 0.707841 0.457841 C\n0.957841 0.207841 0.750000 C\n0.207841 0.750000 0.957840 C\n0.542160 0.292159 0.250000 C\n0.292159 0.250000 0.542159 C\n0.750001 0.957841 0.207841 C\n0.250000 0.542159 0.292159 C\n0.457841 0.250000 0.707841 C\n",
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{
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"structure_string": "Pr4 Ge10 Ir6\n1.0\n8.194033 -0.018798 -2.235435\n-1.678792 5.479341 -6.268826\n-0.025526 0.018798 8.493450\nPr Ge Ir\n4 10 6\ndirect\n0.862136 0.632345 0.229791 Pr\n0.137863 0.367655 0.770209 Pr\n0.402554 0.132345 0.270209 Pr\n0.597446 0.867655 0.729791 Pr\n0.259253 0.600189 0.659065 Ge\n0.740746 0.399811 0.340935 Ge\n0.941123 0.100189 0.840935 Ge\n0.058877 0.899811 0.159065 Ge\n0.225996 0.475996 0.250000 Ge\n0.774003 0.524003 0.750000 Ge\n0.225996 0.975997 0.750000 Ge\n0.500000 0.250000 0.750000 Ge\n0.500000 0.750000 0.250000 Ge\n0.774003 0.024003 0.250000 Ge\n0.469059 0.359356 0.109702 Ir\n-0.000000 0.750000 0.750000 Ir\n-0.000000 0.250000 0.250000 Ir\n0.249654 0.859356 0.390297 Ir\n0.750345 0.140643 0.609702 Ir\n0.530941 0.640643 0.890297 Ir\n",
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{
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"created_at": "2022-09-04T14:38:32.620959Z",
"updated_at": "2022-09-04T14:38:32.620982Z",
"structure_string": "K4 Au4 I12\n1.0\n0.000000 7.175587 0.023082\n9.335518 0.000000 0.000000\n0.000000 -6.699783 -11.458743\nK Au I\n4 4 12\ndirect\n0.182096 0.119475 0.747814 K\n0.817904 0.619475 0.752185 K\n0.817904 0.880525 0.252186 K\n0.182096 0.380525 0.247814 K\n0.500000 0.500000 0.000000 Au\n0.500000 0.000000 0.500000 Au\n0.000000 0.500000 0.500000 Au\n0.000000 0.000000 0.000000 Au\n0.839515 0.662027 0.035648 I\n0.160486 0.162027 0.464352 I\n0.348063 0.504732 0.764889 I\n0.651938 0.004732 0.735111 I\n0.651938 0.495268 0.235111 I\n0.265578 0.654539 0.462042 I\n0.734423 0.345461 0.537958 I\n0.265578 0.845462 0.962042 I\n0.839515 0.837974 0.535648 I\n0.734423 0.154539 0.037958 I\n0.348063 0.995268 0.264889 I\n0.160486 0.337974 0.964351 I\n",
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{
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"created_at": "2022-09-04T14:38:36.072991Z",
"updated_at": "2022-09-04T14:38:36.073017Z",
"structure_string": "Ca4 Cu2 Sb2 O12\n1.0\n0.000000 5.742770 0.117843\n7.490929 0.000000 0.000000\n0.000000 -1.422032 -5.838508\nCa Cu Sb O\n4 2 2 12\ndirect\n0.465347 0.750000 0.418653 Ca\n0.534653 0.250000 0.581348 Ca\n0.936689 0.750000 0.954907 Ca\n0.063312 0.250000 0.045094 Ca\n0.500000 0.500000 0.000000 Cu\n0.500000 0.000000 0.000000 Cu\n0.000000 0.500000 0.500000 Sb\n0.000000 0.000000 0.500000 Sb\n0.349779 0.538978 0.686477 O\n0.570415 0.750000 0.059804 O\n0.650221 0.038978 0.313524 O\n0.097430 0.250000 0.442497 O\n0.127003 0.945748 0.233547 O\n0.872997 0.054252 0.766454 O\n0.127003 0.554252 0.233547 O\n0.349779 0.961022 0.686477 O\n0.902571 0.750000 0.557504 O\n0.650221 0.461022 0.313524 O\n0.872997 0.445748 0.766454 O\n0.429586 0.250000 0.940197 O\n",
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]
}