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{
"id": "jvasp-54901",
"created_at": "2022-09-04T14:38:34.971100Z",
"updated_at": "2022-09-04T14:38:34.971130Z",
"structure_string": "V6 Si2\n1.0\n4.921734 0.000000 0.000000\n-0.000000 4.921734 0.000000\n-0.000000 -0.000000 4.921734\nV Si\n6 2\ndirect\n0.000000 0.500000 0.500000 V\n0.000000 0.500000 0.000000 V\n0.000000 0.000000 0.500000 V\n0.500000 0.000000 0.000000 V\n0.500000 0.000000 0.500000 V\n0.500000 0.500000 0.000000 V\n0.000000 0.000000 0.000000 Si\n0.500000 0.500000 0.500000 Si\n",
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{
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"structure_string": "Mo2 P8\n1.0\n4.849172 0.006685 2.312923\n1.878635 5.513834 0.896058\n0.002628 0.003343 6.234230\nMo P\n2 8\ndirect\n0.059380 0.249999 0.881240 Mo\n0.940621 0.750000 0.118759 Mo\n0.500332 0.310751 0.554892 P\n0.944775 0.189249 0.554892 P\n0.185686 0.316910 0.186838 P\n0.627476 0.183091 0.186838 P\n0.814315 0.683090 0.813162 P\n0.372525 0.816909 0.813162 P\n0.055226 0.810750 0.445108 P\n0.499669 0.689249 0.445108 P\n",
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"structure_string": "Ga1 Si3\n1.0\n-0.000000 3.215641 3.215641\n3.215641 -0.000000 3.215641\n3.215641 3.215641 0.000000\nGa Si\n1 3\ndirect\n0.749999 0.749999 0.749999 Ga\n0.000000 0.000000 0.000000 Si\n0.499999 0.499999 0.499999 Si\n0.250000 0.250000 0.250000 Si\n",
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{
"id": "jvasp-40217",
"created_at": "2022-09-04T14:38:34.966121Z",
"updated_at": "2022-09-04T14:38:34.966142Z",
"structure_string": "Ca3 Sn3 S9\n1.0\n-3.391164 5.873668 0.000000\n-6.782327 0.000000 -0.000000\n-3.391164 1.957890 9.534846\nCa Sn S\n3 3 9\ndirect\n0.000000 0.000000 0.000000 Ca\n0.256354 0.256354 0.230937 Ca\n0.743646 0.743645 0.769064 Ca\n0.500000 0.500000 0.500000 Sn\n0.391414 0.391413 0.825757 Sn\n0.608586 0.608586 0.174244 Sn\n-0.000000 0.500000 0.000000 S\n0.500000 0.500000 -0.000000 S\n0.500000 -0.000000 -0.000000 S\n0.787229 0.269322 0.674126 S\n0.269323 0.269322 0.674126 S\n0.269323 0.787229 0.674126 S\n0.212771 0.730677 0.325874 S\n0.730677 0.730677 0.325874 S\n0.730677 0.212770 0.325874 S\n",
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{
"id": "jvasp-10864",
"created_at": "2022-09-04T14:38:34.964408Z",
"updated_at": "2022-09-04T14:38:34.964434Z",
"structure_string": "Nd4 Hg2 O8\n1.0\n3.740125 -0.000000 0.796240\n1.605349 6.875185 1.641542\n-0.002325 -0.014894 9.193170\nNd Hg O\n4 2 8\ndirect\n0.619788 0.219292 0.541130 Nd\n0.380209 0.780709 0.458870 Nd\n0.839760 0.521472 0.799005 Nd\n0.160237 0.478529 0.200995 Nd\n0.113426 0.933115 0.840031 Hg\n0.886571 0.066887 0.159969 Hg\n0.202467 0.652147 0.942918 O\n0.797531 0.347855 0.057081 O\n0.035801 0.206248 0.722146 O\n0.964196 0.793753 0.277853 O\n0.419236 0.507950 0.653575 O\n0.580761 0.492052 0.346425 O\n0.229737 0.152068 0.388456 O\n0.770261 0.847933 0.611544 O\n",
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{
"id": "jvasp-21491",
"created_at": "2022-09-04T14:38:34.964180Z",
"updated_at": "2022-09-04T14:38:34.964210Z",
"structure_string": "Lu2 B2 O6\n1.0\n4.476246 -0.016298 4.069713\n1.790158 4.102729 4.069713\n-0.024993 -0.016298 6.049688\nLu B O\n2 2 6\ndirect\n0.500001 0.500000 0.499999 Lu\n0.000000 0.000000 0.000000 Lu\n0.750002 0.749999 0.749999 B\n0.250001 0.250000 0.250000 B\n0.750001 0.031796 0.468203 O\n0.468204 0.750000 0.031795 O\n0.968205 0.531796 0.249999 O\n0.250001 0.968203 0.531795 O\n0.531798 0.249999 0.968203 O\n0.031797 0.468203 0.750000 O\n",
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"volume": 111.87509014337691,
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"formula_full": "Lu2 B2 O6",
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{
"id": "jvasp-20988",
"created_at": "2022-09-04T14:38:34.961017Z",
"updated_at": "2022-09-04T14:38:34.961048Z",
"structure_string": "Tb2 Al8 Ni2\n1.0\n3.943420 0.000000 -1.039384\n-0.000000 6.635049 -0.000000\n0.002115 -0.000000 8.008373\nTb Al Ni\n2 8 2\ndirect\n0.116535 0.750000 0.233070 Tb\n0.883464 0.250000 0.766930 Tb\n0.689096 0.447843 0.378194 Al\n0.310903 0.552157 0.621806 Al\n0.310903 0.947843 0.621806 Al\n0.689096 0.052157 0.378194 Al\n0.500000 0.000000 0.000000 Al\n0.500000 0.500000 0.000000 Al\n0.076523 0.250000 0.153047 Al\n0.923475 0.750000 0.846953 Al\n0.773880 0.750000 0.547762 Ni\n0.226119 0.250000 0.452238 Ni\n",
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"volume": 209.5519429742118,
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"formula_full": "Tb2 Al8 Ni2",
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{
"id": "jvasp-21672",
"created_at": "2022-09-04T14:38:34.952799Z",
"updated_at": "2022-09-04T14:38:34.952822Z",
"structure_string": "Al12 W1\n1.0\n6.228248 0.000000 -2.202018\n-3.114123 5.393820 -2.202018\n0.000000 0.000000 6.606053\nAl W\n12 1\ndirect\n0.495505 0.307446 0.188058 Al\n0.307447 0.811942 0.119388 Al\n0.188059 0.880612 0.692553 Al\n0.692554 0.811942 0.504495 Al\n0.811942 0.119388 0.307446 Al\n0.692554 0.188058 0.880611 Al\n0.811942 0.504495 0.692553 Al\n0.188059 0.495505 0.307446 Al\n0.307447 0.188058 0.495504 Al\n0.119388 0.307446 0.811941 Al\n0.880613 0.692554 0.188058 Al\n0.504496 0.692554 0.811941 Al\n0.000000 0.000000 0.000000 W\n",
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{
"id": "jvasp-12541",
"created_at": "2022-09-04T14:38:34.939180Z",
"updated_at": "2022-09-04T14:38:34.939194Z",
"structure_string": "Sb1 I3 Cl8\n1.0\n7.067991 0.232158 -0.211019\n-1.168214 6.915764 0.413357\n-0.728862 -0.294095 7.643235\nSb I Cl\n1 3 8\ndirect\n0.000000 0.500000 0.500001 Sb\n0.000000 0.000000 0.000000 I\n0.655767 0.769236 0.823311 I\n0.344234 0.230764 0.176690 I\n0.718928 0.289089 0.569050 Cl\n0.281073 0.710912 0.430951 Cl\n0.497428 0.753149 0.081922 Cl\n0.502573 0.246852 0.918079 Cl\n0.824562 0.785281 0.503893 Cl\n0.175439 0.214720 0.496108 Cl\n0.889082 0.463847 0.195259 Cl\n0.110919 0.536154 0.804742 Cl\n",
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{
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"created_at": "2022-09-04T14:38:34.936711Z",
"updated_at": "2022-09-04T14:38:34.936739Z",
"structure_string": "Ba4 Te4 O16\n1.0\n5.123634 -0.000000 0.000000\n-0.000000 5.997795 0.000000\n0.000000 0.000000 13.766902\nBa Te O\n4 4 16\ndirect\n0.250000 0.000000 0.162764 Ba\n0.749999 0.000000 0.837236 Ba\n0.250000 0.500000 0.662764 Ba\n0.749999 0.500000 0.337236 Ba\n0.250000 0.000000 0.431967 Te\n0.749999 0.000000 0.568033 Te\n0.749999 0.500000 0.068033 Te\n0.250000 0.500000 0.931967 Te\n0.072851 0.823043 0.540236 O\n0.572851 0.823043 0.459764 O\n0.572851 0.676956 0.959764 O\n0.072851 0.676956 0.040236 O\n0.147793 0.710118 0.838221 O\n0.647792 0.710118 0.161778 O\n0.352207 0.289881 0.838221 O\n0.427148 0.176956 0.540236 O\n0.927148 0.323043 0.959764 O\n0.427148 0.323043 0.040236 O\n0.147793 0.789881 0.338222 O\n0.927148 0.176956 0.459764 O\n0.852207 0.210119 0.661778 O\n0.352207 0.210119 0.338222 O\n0.852207 0.289881 0.161778 O\n0.647792 0.789881 0.661778 O\n",
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{
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"created_at": "2022-09-04T14:38:34.934140Z",
"updated_at": "2022-09-04T14:38:34.934154Z",
"structure_string": "Ag2 Pb6\n1.0\n3.403433 -5.894919 -0.000000\n3.403433 5.894919 0.000000\n0.000000 0.000000 5.575707\nAg Pb\n2 6\ndirect\n0.333333 0.666667 0.750000 Ag\n0.666667 0.333333 0.250000 Ag\n0.658078 0.829039 0.250000 Pb\n0.170960 0.829039 0.250000 Pb\n0.170961 0.341921 0.250000 Pb\n0.341921 0.170961 0.750000 Pb\n0.829039 0.170960 0.750000 Pb\n0.829039 0.658078 0.750000 Pb\n",
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{
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"created_at": "2022-09-04T14:38:34.933511Z",
"updated_at": "2022-09-04T14:38:34.933534Z",
"structure_string": "K12 Mn2 Se8\n1.0\n5.110452 -8.851563 -0.000000\n5.110452 8.851563 0.000000\n0.000000 -0.000000 7.856003\nK Mn Se\n12 2 8\ndirect\n0.146582 0.853418 0.547116 K\n0.472838 0.527162 0.865778 K\n0.527162 0.054325 0.365778 K\n0.472838 0.945675 0.865778 K\n0.054325 0.527162 0.865778 K\n0.527162 0.472838 0.365778 K\n0.945675 0.472838 0.365778 K\n0.706837 0.853418 0.547116 K\n0.146582 0.293163 0.547116 K\n0.853418 0.706837 0.047116 K\n0.293163 0.146582 0.047116 K\n0.853418 0.146582 0.047116 K\n0.333333 0.666667 0.249895 Mn\n0.666667 0.333333 0.749895 Mn\n0.609781 0.804890 0.149140 Se\n0.333333 0.666667 0.576701 Se\n0.666667 0.333333 0.076701 Se\n0.195109 0.804890 0.149140 Se\n0.390219 0.195109 0.649139 Se\n0.804890 0.609781 0.649139 Se\n0.195109 0.390219 0.149140 Se\n0.804890 0.195109 0.649139 Se\n",
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}
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}