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{
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"spacegroup": 14
},
{
"id": "mp-569426",
"created_at": "2022-09-04T14:39:29.464743Z",
"structure_string": "Sr2 Zn4\n1.0\n-2.390177 3.900406 3.920878\n2.390177 -3.900406 3.920878\n2.390177 3.900406 -3.920878\nSr Zn\n2 4\ndirect\n0.298900 0.048900 0.250000 Sr\n0.701100 0.951100 0.750000 Sr\n0.728144 0.664980 0.063164 Zn\n0.271856 0.335020 0.936836 Zn\n0.101816 0.664980 0.436836 Zn\n0.898184 0.335020 0.563164 Zn\n",
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{
"id": "mp-1204671",
"created_at": "2022-09-04T14:39:28.719675Z",
"structure_string": "Cs12 Sb4 H8 S16 O4\n1.0\n10.206407 0.000000 0.000000\n0.000000 10.026535 0.000000\n0.000000 9.650728 13.169427\nCs Sb H S O\n12 4 8 16 4\ndirect\n0.368913 0.898655 0.203487 Cs\n0.868913 0.101345 0.296513 Cs\n0.631087 0.101345 0.796513 Cs\n0.131087 0.898655 0.703487 Cs\n0.078354 0.716019 0.046804 Cs\n0.578354 0.283981 0.453196 Cs\n0.921646 0.283981 0.953196 Cs\n0.421646 0.716019 0.546804 Cs\n0.083557 0.423495 0.420546 Cs\n0.583557 0.576505 0.079454 Cs\n0.916443 0.576505 0.579454 Cs\n0.416443 0.423495 0.920546 Cs\n0.291948 0.247786 0.274505 Sb\n0.791948 0.752214 0.225495 Sb\n0.708052 0.752214 0.725495 Sb\n0.208052 0.247786 0.774505 Sb\n0.155708 0.870739 0.406627 H\n0.655708 0.129261 0.093373 H\n0.844292 0.129261 0.593373 H\n0.344292 0.870739 0.906627 H\n0.097554 0.814451 0.341825 H\n0.597554 0.185549 0.158175 H\n0.902446 0.185549 0.658175 H\n0.402446 0.814451 0.841825 H\n0.669463 0.928491 0.074189 S\n0.169463 0.071509 0.425811 S\n0.330537 0.071509 0.925811 S\n0.830537 0.928491 0.574189 S\n0.998365 0.880047 0.199758 S\n0.498365 0.119953 0.300242 S\n0.001635 0.119953 0.800242 S\n0.501635 0.880047 0.699758 S\n0.326856 0.503705 0.248410 S\n0.826856 0.496295 0.251590 S\n0.673144 0.496295 0.751590 S\n0.173144 0.503705 0.748410 S\n0.183123 0.283874 0.135863 S\n0.683123 0.716126 0.364137 S\n0.816877 0.716126 0.864137 S\n0.316877 0.283874 0.635863 S\n0.149045 0.773849 0.404090 O\n0.649045 0.226151 0.095910 O\n0.850955 0.226151 0.595910 O\n0.350955 0.773849 0.904090 O\n",
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"elements": [
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"O"
],
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"density_atomic": 0.032648410353103466,
"volume": 1347.6919557223553,
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"formula_full": "Cs12 Sb4 H8 S16 O4",
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},
{
"id": "mp-571582",
"created_at": "2022-09-04T14:39:28.723616Z",
"structure_string": "Tl4 Hg12 Sb8 Br12\n1.0\n6.763563 0.000000 0.000000\n0.000000 13.485345 0.000000\n0.000000 0.000000 13.518030\nTl Hg Sb Br\n4 12 8 12\ndirect\n0.998122 0.750000 0.757528 Tl\n0.001878 0.750000 0.257528 Tl\n0.998122 0.250000 0.742472 Tl\n0.001878 0.250000 0.242472 Tl\n0.467056 0.000000 0.750000 Hg\n0.535682 0.750000 0.013243 Hg\n0.467056 0.500000 0.750000 Hg\n0.532944 0.000000 0.250000 Hg\n0.464318 0.250000 0.986757 Hg\n0.000000 0.500000 0.000000 Hg\n0.000000 0.500000 0.500000 Hg\n0.535682 0.250000 0.486757 Hg\n0.464318 0.750000 0.513243 Hg\n0.532944 0.500000 0.250000 Hg\n0.000000 0.000000 0.000000 Hg\n0.000000 0.000000 0.500000 Hg\n0.371706 0.943654 0.559865 Sb\n0.628294 0.943654 0.059865 Sb\n0.371706 0.556346 0.559865 Sb\n0.628294 0.556346 0.059865 Sb\n0.371706 0.443654 0.940135 Sb\n0.371706 0.056346 0.940135 Sb\n0.628294 0.443654 0.440135 Sb\n0.628294 0.056346 0.440135 Sb\n0.532898 0.750000 0.797483 Br\n0.532898 0.250000 0.702517 Br\n0.896874 0.250000 0.990598 Br\n0.898793 0.000000 0.750000 Br\n0.467102 0.750000 0.297483 Br\n0.898793 0.500000 0.750000 Br\n0.103126 0.750000 0.009402 Br\n0.101207 0.500000 0.250000 Br\n0.896874 0.750000 0.509402 Br\n0.101207 0.000000 0.250000 Br\n0.103126 0.250000 0.490598 Br\n0.467102 0.250000 0.202517 Br\n",
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"formula_full": "Tl4 Hg12 Sb8 Br12",
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{
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"structure_string": "Tm6 Co58 Si8 B20\n1.0\n11.114557 0.000000 0.000000\n0.000000 11.114557 0.000000\n0.000000 0.000000 7.811636\nTm Co Si B\n6 58 8 20\ndirect\n0.250000 0.750000 0.000000 Tm\n0.250000 0.250000 0.000000 Tm\n0.750000 0.750000 0.000000 Tm\n0.750000 0.250000 0.000000 Tm\n0.000000 0.000000 0.500000 Tm\n0.500000 0.500000 0.500000 Tm\n0.338584 0.674218 0.335604 Co\n0.271616 0.000000 0.526636 Co\n0.500000 0.771616 0.526636 Co\n0.500000 0.228384 0.526636 Co\n0.835142 0.500000 0.970069 Co\n0.000000 0.664858 0.970069 Co\n0.000000 0.335142 0.970069 Co\n0.164858 0.500000 0.970069 Co\n0.664858 0.000000 0.029931 Co\n0.335142 0.000000 0.029931 Co\n0.500000 0.835142 0.029931 Co\n0.500000 0.164858 0.029931 Co\n0.883783 0.383783 0.248033 Co\n0.883783 0.616217 0.248033 Co\n0.116217 0.383783 0.248033 Co\n0.116217 0.616217 0.248033 Co\n0.616217 0.883783 0.751967 Co\n0.383783 0.116217 0.751967 Co\n0.383783 0.883783 0.751967 Co\n0.616217 0.116217 0.751967 Co\n0.889870 0.389870 0.698436 Co\n0.889870 0.610130 0.698436 Co\n0.110130 0.389870 0.698436 Co\n0.110130 0.610130 0.698436 Co\n0.610130 0.889870 0.301564 Co\n0.389870 0.110130 0.301564 Co\n0.389870 0.889870 0.301564 Co\n0.610130 0.110130 0.301564 Co\n0.338584 0.325782 0.335604 Co\n0.825782 0.161416 0.335604 Co\n0.174218 0.838584 0.335604 Co\n0.661416 0.674218 0.335604 Co\n0.161416 0.825782 0.664396 Co\n0.838584 0.174218 0.664396 Co\n0.325782 0.338584 0.664396 Co\n0.610200 0.500000 0.888673 Co\n0.161416 0.174218 0.664396 Co\n0.674218 0.338584 0.664396 Co\n0.325782 0.661416 0.664396 Co\n0.838584 0.825782 0.664396 Co\n0.728384 0.000000 0.526636 Co\n0.000000 0.889800 0.888673 Co\n0.174218 0.161416 0.335604 Co\n0.825782 0.838584 0.335604 Co\n0.000000 0.110200 0.888673 Co\n0.389800 0.500000 0.888673 Co\n0.500000 0.000000 0.534444 Co\n0.000000 0.500000 0.465556 Co\n0.110200 0.000000 0.111327 Co\n0.228384 0.500000 0.473364 Co\n0.000000 0.271616 0.473364 Co\n0.000000 0.728384 0.473364 Co\n0.771616 0.500000 0.473364 Co\n0.500000 0.610200 0.111327 Co\n0.500000 0.389800 0.111327 Co\n0.889800 0.000000 0.111327 Co\n0.674218 0.661416 0.664396 Co\n0.661416 0.325782 0.335604 Co\n0.500000 0.682124 0.825106 Si\n0.317876 0.500000 0.174894 Si\n0.000000 0.182124 0.174894 Si\n0.000000 0.817876 0.174894 Si\n0.682124 0.500000 0.174894 Si\n0.182124 0.000000 0.825106 Si\n0.817876 0.000000 0.825106 Si\n0.500000 0.317876 0.825106 Si\n0.686361 0.186361 0.518192 B\n0.313639 0.813639 0.518192 B\n0.313639 0.186361 0.518192 B\n0.686361 0.813639 0.518192 B\n0.186361 0.686361 0.481808 B\n0.186361 0.313639 0.481808 B\n0.500000 0.256268 0.264102 B\n0.500000 0.743732 0.264102 B\n0.243732 0.000000 0.264102 B\n0.756268 0.000000 0.264102 B\n0.256268 0.500000 0.735898 B\n0.000000 0.243732 0.735898 B\n0.000000 0.756268 0.735898 B\n0.743732 0.500000 0.735898 B\n0.500000 0.000000 0.149460 B\n0.000000 0.500000 0.850540 B\n0.500000 0.000000 0.892653 B\n0.000000 0.500000 0.107347 B\n0.813639 0.686361 0.481808 B\n0.813639 0.313639 0.481808 B\n",
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{
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{
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{
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"structure_string": "Pr10 Ru4\n1.0\n3.336678 8.328012 0.000000\n-3.336678 8.328012 0.000000\n0.000000 0.846448 7.388605\nPr Ru\n10 4\ndirect\n0.018996 0.796599 0.914639 Pr\n0.203401 0.981004 0.585361 Pr\n0.981004 0.203401 0.085361 Pr\n0.796599 0.018996 0.414639 Pr\n0.359345 0.207329 0.815032 Pr\n0.792671 0.640655 0.684968 Pr\n0.640655 0.792671 0.184968 Pr\n0.207329 0.359345 0.315032 Pr\n0.575381 0.424619 0.750000 Pr\n0.424619 0.575381 0.250000 Pr\n0.176952 0.601580 0.574732 Ru\n0.398420 0.823048 0.925268 Ru\n0.823048 0.398420 0.425268 Ru\n0.601580 0.176952 0.074732 Ru\n",
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{
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}