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{
"id": "jvasp-31950",
"created_at": "2022-09-04T14:37:14.924291Z",
"updated_at": "2022-09-04T14:37:14.924314Z",
"structure_string": "P4 Br28\n1.0\n7.593622 -0.000000 0.000000\n0.000000 9.583913 0.000000\n0.000000 0.000000 14.250104\nP Br\n4 28\ndirect\n0.750000 0.382751 0.654860 P\n0.750000 0.882751 0.845139 P\n0.250000 0.117249 0.154860 P\n0.250000 0.617249 0.345140 P\n0.520026 0.757852 0.885996 Br\n0.750000 0.439477 0.026587 Br\n0.520026 0.257852 0.614004 Br\n0.250000 0.576216 0.699664 Br\n0.750000 0.579854 0.577610 Br\n0.750000 0.923783 0.199664 Br\n0.250000 0.305505 0.874927 Br\n0.250000 0.060523 0.526587 Br\n0.479974 0.242148 0.114004 Br\n0.750000 0.939477 0.473413 Br\n0.250000 0.920145 0.077610 Br\n0.750000 0.194494 0.374927 Br\n0.750000 0.694494 0.125073 Br\n0.750000 0.925089 0.693645 Br\n0.250000 0.574910 0.193646 Br\n0.250000 0.420145 0.422390 Br\n0.020026 0.742148 0.385996 Br\n0.750000 0.079855 0.922390 Br\n0.250000 0.560522 0.973413 Br\n0.250000 0.074910 0.306354 Br\n0.020026 0.242148 0.114004 Br\n0.250000 0.076217 0.800336 Br\n0.979974 0.257852 0.614004 Br\n0.750000 0.425090 0.806354 Br\n0.750000 0.423783 0.300336 Br\n0.250000 0.805505 0.625073 Br\n0.979974 0.757852 0.885996 Br\n0.479974 0.742148 0.385996 Br\n",
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{
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"structure_string": "Tb8 B16 C8\n1.0\n6.796247 -0.000000 -0.000000\n-0.000000 6.796247 0.000000\n-0.000000 0.000000 7.561665\nTb B C\n8 16 8\ndirect\n0.309475 0.809475 0.750000 Tb\n0.190526 0.309475 0.250000 Tb\n0.809475 0.690526 0.250000 Tb\n0.690526 0.190526 0.750000 Tb\n0.690526 0.190526 0.250000 Tb\n0.809475 0.690526 0.750000 Tb\n0.190526 0.309475 0.750000 Tb\n0.309475 0.809475 0.250000 Tb\n0.904935 0.403060 0.500000 B\n0.095065 0.596940 0.500000 B\n0.903061 0.404935 0.000000 B\n0.403060 0.095065 0.000000 B\n0.596940 0.904935 0.000000 B\n0.595065 0.903061 0.500000 B\n0.404935 0.096940 0.500000 B\n0.096940 0.595065 0.000000 B\n0.465475 0.348069 0.500000 B\n0.965475 0.151931 0.500000 B\n0.034525 0.848069 0.500000 B\n0.651931 0.465475 0.000000 B\n0.348069 0.534525 0.000000 B\n0.848069 0.965475 0.000000 B\n0.534525 0.651931 0.500000 B\n0.151931 0.034525 0.000000 B\n0.177242 0.040690 0.500000 C\n0.677242 0.459310 0.500000 C\n0.322758 0.540690 0.500000 C\n0.959311 0.177242 0.000000 C\n0.040690 0.822758 0.000000 C\n0.540690 0.677242 0.000000 C\n0.822758 0.959311 0.500000 C\n0.459310 0.322758 0.000000 C\n",
"nsites": 32,
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{
"id": "jvasp-21121",
"created_at": "2022-09-04T14:37:30.618911Z",
"updated_at": "2022-09-04T14:37:30.618931Z",
"structure_string": "Sm8 Si4 Te4 O16\n1.0\n6.273321 0.000000 0.000000\n0.000000 7.136894 0.000000\n0.000000 0.000000 11.174059\nSm Si Te O\n8 4 4 16\ndirect\n0.389131 0.750000 0.500000 Sm\n0.389131 0.750000 0.000000 Sm\n0.610868 0.250000 0.500000 Sm\n0.610868 0.250000 0.000000 Sm\n0.886786 0.964835 0.750000 Sm\n0.886786 0.535164 0.250000 Sm\n0.113214 0.464835 0.750000 Sm\n0.113214 0.035164 0.250000 Sm\n0.112544 0.250000 0.000000 Si\n0.887456 0.750000 0.000000 Si\n0.887456 0.750000 0.500000 Si\n0.112544 0.250000 0.500000 Si\n0.402612 0.082286 0.750000 Te\n0.402612 0.417713 0.250000 Te\n0.597388 0.582286 0.750000 Te\n0.597388 0.917713 0.250000 Te\n0.948353 0.266276 0.383402 O\n0.948353 0.233724 0.616598 O\n0.948353 0.233724 0.883402 O\n0.948353 0.266276 0.116598 O\n0.051647 0.766275 0.116598 O\n0.051647 0.766275 0.383402 O\n0.270339 0.074083 0.035422 O\n0.270339 0.425917 0.964578 O\n0.729660 0.925916 0.535422 O\n0.729660 0.925916 0.964578 O\n0.729660 0.574083 0.035422 O\n0.270339 0.425917 0.535422 O\n0.270339 0.074083 0.464578 O\n0.051647 0.733724 0.883402 O\n0.729660 0.574083 0.464578 O\n0.051647 0.733724 0.616598 O\n",
"nsites": 32,
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"formula_full": "Sm8 Si4 Te4 O16",
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{
"id": "jvasp-22801",
"created_at": "2022-09-04T14:37:29.889848Z",
"updated_at": "2022-09-04T14:37:29.889869Z",
"structure_string": "Rb12 P4 S16\n1.0\n9.280973 0.000000 0.000000\n0.000000 9.289261 0.000000\n0.000000 0.000000 10.929102\nRb P S\n12 4 16\ndirect\n0.154389 0.089282 0.750000 Rb\n0.345611 0.589282 0.250000 Rb\n0.654389 0.410718 0.750000 Rb\n0.845611 0.910717 0.250000 Rb\n0.958842 0.704544 0.959527 Rb\n0.541158 0.204544 0.040472 Rb\n0.458842 0.795456 0.540472 Rb\n0.041158 0.295456 0.459527 Rb\n0.041158 0.295456 0.040472 Rb\n0.458842 0.795456 0.959527 Rb\n0.541158 0.204544 0.459527 Rb\n0.958842 0.704544 0.540472 Rb\n0.723385 0.979665 0.750000 P\n0.776614 0.479665 0.250000 P\n0.223385 0.520335 0.750000 P\n0.276614 0.020335 0.250000 P\n0.830048 0.044082 0.906294 S\n0.669951 0.544082 0.093706 S\n0.018685 0.429878 0.750000 S\n0.481314 0.929878 0.250000 S\n0.518685 0.070122 0.750000 S\n0.981314 0.570122 0.250000 S\n0.330049 0.455918 0.906294 S\n0.169951 0.955918 0.093706 S\n0.669951 0.544082 0.406294 S\n0.791629 0.258196 0.250000 S\n0.708371 0.758196 0.750000 S\n0.291629 0.241804 0.250000 S\n0.208371 0.741804 0.750000 S\n0.169951 0.955918 0.406294 S\n0.830048 0.044082 0.593706 S\n0.330049 0.455918 0.593706 S\n",
"nsites": 32,
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],
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"density": 2.9299776376716364,
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"volume": 942.2348295875994,
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{
"id": "jvasp-21174",
"created_at": "2022-09-04T14:37:30.593891Z",
"updated_at": "2022-09-04T14:37:30.593912Z",
"structure_string": "Rb2 U2 N6 O22\n1.0\n7.689832 -0.003075 2.984275\n2.041911 7.413779 2.984275\n-0.004038 -0.003075 8.248601\nRb U N O\n2 2 6 22\ndirect\n0.500000 0.499999 0.500000 Rb\n0.000000 0.000000 0.000000 Rb\n0.750000 0.749999 0.749999 U\n0.250000 0.250000 0.250000 U\n0.564362 0.935637 0.249999 N\n0.064362 0.750000 0.435637 N\n0.750000 0.435637 0.064362 N\n0.435637 0.064362 0.750000 N\n0.935637 0.249999 0.564362 N\n0.250000 0.564362 0.935637 N\n0.846045 0.846044 0.846045 O\n0.878788 0.437432 0.916901 O\n0.437433 0.916901 0.878788 O\n0.937433 0.378787 0.416901 O\n0.378788 0.416901 0.937433 O\n0.416901 0.937433 0.378788 O\n0.083099 0.121211 0.562567 O\n0.121212 0.562567 0.083098 O\n0.562567 0.083098 0.121212 O\n0.750000 0.304190 0.195810 O\n0.304190 0.195809 0.750000 O\n0.804190 0.249999 0.695810 O\n0.695810 0.804190 0.249999 O\n0.062567 0.621212 0.583098 O\n0.621212 0.583098 0.062566 O\n0.583099 0.062566 0.621212 O\n0.916901 0.878787 0.437432 O\n0.153955 0.153955 0.153955 O\n0.346045 0.346045 0.346045 O\n0.653954 0.653954 0.653954 O\n0.195810 0.750000 0.304190 O\n0.250000 0.695809 0.804190 O\n",
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],
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{
"id": "jvasp-23095",
"created_at": "2022-09-04T14:37:33.725948Z",
"updated_at": "2022-09-04T14:37:33.725971Z",
"structure_string": "K8 Al8 Te16\n1.0\n8.330300 0.001469 -1.062327\n-0.137205 8.329170 -1.062327\n-0.009001 -0.009152 16.467457\nK Al Te\n8 8 16\ndirect\n0.780417 0.654858 0.118380 K\n0.220243 0.847785 0.888269 K\n0.345142 0.219583 0.381619 K\n0.219583 0.345143 0.881620 K\n0.654857 0.780417 0.618380 K\n0.847785 0.220244 0.388269 K\n0.779756 0.152215 0.111730 K\n0.152215 0.779757 0.611731 K\n0.710293 0.088095 0.840951 Al\n0.289900 0.417361 0.159885 Al\n0.582639 0.710100 0.340115 Al\n0.710099 0.582640 0.840115 Al\n0.417361 0.289901 0.659885 Al\n0.088094 0.710293 0.340951 Al\n0.289707 0.911905 0.159049 Al\n0.911905 0.289707 0.659049 Al\n0.947230 0.052770 0.750000 Te\n0.052769 0.947231 0.250000 Te\n0.735862 0.859000 0.938628 Te\n0.141000 0.264138 0.561372 Te\n0.264138 0.141000 0.061372 Te\n0.858999 0.735862 0.438628 Te\n0.427460 0.052588 0.750572 Te\n0.052588 0.427460 0.250571 Te\n0.572540 0.947412 0.249428 Te\n0.638767 0.264169 0.558997 Te\n0.735831 0.361233 0.941003 Te\n0.361232 0.735831 0.441003 Te\n0.264169 0.638767 0.058997 Te\n0.572977 0.427023 0.250000 Te\n0.947412 0.572541 0.749428 Te\n0.427023 0.572977 0.750000 Te\n",
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{
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"created_at": "2022-09-04T14:37:30.086302Z",
"updated_at": "2022-09-04T14:37:30.086322Z",
"structure_string": "Tl12 As4 S16\n1.0\n8.990685 0.000000 0.000000\n0.000000 9.194054 0.000000\n0.000000 0.000000 10.899195\nTl As S\n12 4 16\ndirect\n0.935345 0.194789 0.450374 Tl\n0.435346 0.305211 0.049626 Tl\n0.564654 0.694788 0.549626 Tl\n0.064654 0.805211 0.950374 Tl\n0.064654 0.805211 0.549626 Tl\n0.564654 0.694788 0.950374 Tl\n0.435346 0.305211 0.450374 Tl\n0.935345 0.194789 0.049626 Tl\n0.385506 0.106381 0.750000 Tl\n0.885505 0.393619 0.750000 Tl\n0.114494 0.606381 0.250000 Tl\n0.614494 0.893618 0.250000 Tl\n0.780083 0.974826 0.750000 As\n0.719916 0.474826 0.250000 As\n0.280084 0.525174 0.750000 As\n0.219916 0.025174 0.250000 As\n0.191189 0.265395 0.250000 S\n0.691189 0.234605 0.250000 S\n0.845596 0.535201 0.084479 S\n0.345596 0.964798 0.415521 S\n0.654404 0.035201 0.915521 S\n0.154404 0.464798 0.584479 S\n0.154404 0.464798 0.915521 S\n0.654404 0.035201 0.584479 S\n0.845596 0.535201 0.415521 S\n0.004169 0.072478 0.750000 S\n0.495831 0.572478 0.250000 S\n0.504169 0.427521 0.750000 S\n0.995831 0.927521 0.250000 S\n0.808810 0.734605 0.750000 S\n0.345596 0.964798 0.084479 S\n0.308810 0.765395 0.750000 S\n",
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{
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"created_at": "2022-09-04T14:37:30.274770Z",
"updated_at": "2022-09-04T14:37:30.274795Z",
"structure_string": "Hf20 Sb12\n1.0\n7.444150 0.000000 0.000000\n0.000000 8.817217 0.000000\n0.000000 0.000000 10.774316\nHf Sb\n20 12\ndirect\n0.800745 0.440975 0.559916 Hf\n0.473544 0.250000 0.488687 Hf\n0.973544 0.250000 0.011313 Hf\n0.526456 0.750000 0.511313 Hf\n0.026456 0.750000 0.988687 Hf\n0.804682 0.250000 0.277204 Hf\n0.695318 0.750000 0.777204 Hf\n0.195318 0.750000 0.722797 Hf\n0.199255 0.559025 0.440084 Hf\n0.699255 0.940975 0.059916 Hf\n0.304682 0.250000 0.222797 Hf\n0.300745 0.440975 0.940084 Hf\n0.360017 0.750000 0.216402 Hf\n0.860017 0.750000 0.283598 Hf\n0.639983 0.250000 0.783598 Hf\n0.139983 0.250000 0.716402 Hf\n0.699255 0.559025 0.059916 Hf\n0.199255 0.940975 0.440084 Hf\n0.300745 0.059025 0.940084 Hf\n0.800745 0.059025 0.559916 Hf\n0.924697 0.491465 0.824893 Sb\n0.424697 0.008535 0.675107 Sb\n0.924697 0.008535 0.824893 Sb\n0.424697 0.491465 0.675107 Sb\n0.075303 0.508535 0.175107 Sb\n0.917852 0.750000 0.544615 Sb\n0.082148 0.250000 0.455385 Sb\n0.582148 0.250000 0.044615 Sb\n0.417852 0.750000 0.955385 Sb\n0.575303 0.508535 0.324893 Sb\n0.575303 0.991465 0.324893 Sb\n0.075303 0.991465 0.175107 Sb\n",
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{
"id": "jvasp-31654",
"created_at": "2022-09-04T14:37:08.017911Z",
"updated_at": "2022-09-04T14:37:08.017935Z",
"structure_string": "Li16 Ta4 N12\n1.0\n4.699694 -0.000000 1.345393\n1.504069 7.996149 3.627148\n-0.007761 0.011190 8.908235\nLi Ta N\n16 4 12\ndirect\n0.840530 0.250000 0.250000 Li\n0.159469 0.750000 0.750000 Li\n0.340530 0.250000 0.250000 Li\n0.225566 0.524434 0.024434 Li\n0.274434 0.975566 0.475566 Li\n0.774433 0.475566 0.975566 Li\n0.725565 0.024434 0.524434 Li\n0.560843 0.949769 0.879572 Li\n0.890183 0.550231 0.620429 Li\n0.939156 0.120429 0.050231 Li\n0.609816 0.379572 0.449769 Li\n0.439157 0.050231 0.120429 Li\n0.109817 0.449769 0.379572 Li\n0.060843 0.879572 0.949770 Li\n0.390183 0.620429 0.550231 Li\n0.659469 0.750000 0.750000 Li\n0.919105 0.830894 0.330894 Ta\n0.419106 0.330894 0.830894 Ta\n0.080894 0.169106 0.669106 Ta\n0.580894 0.669106 0.169106 Ta\n0.520256 0.539737 0.788674 N\n0.348667 0.960264 0.711327 N\n0.020257 0.788674 0.539737 N\n0.848666 0.711327 0.960264 N\n0.479743 0.460263 0.211327 N\n0.651333 0.039737 0.288674 N\n0.749999 0.131791 0.868209 N\n0.250000 0.368209 0.631792 N\n0.250000 0.868209 0.131791 N\n0.749999 0.631791 0.368209 N\n0.151333 0.288674 0.039737 N\n0.979742 0.211327 0.460263 N\n",
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{
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