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{
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{
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{
"id": "mp-1204636",
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"structure_string": "H32 C4 N20 Cl4 O12\n1.0\n7.950752 0.000000 0.000000\n0.000000 12.889560 0.000000\n-3.970415 0.000000 6.932805\nH C N Cl O\n32 4 20 4 12\ndirect\n0.167237 0.343713 0.054427 H\n0.167237 0.156287 0.554427 H\n0.832763 0.656287 0.945573 H\n0.832763 0.843713 0.445573 H\n0.461484 0.382009 0.397801 H\n0.461484 0.117991 0.897801 H\n0.538516 0.617991 0.602199 H\n0.538516 0.882009 0.102199 H\n0.295569 0.465262 0.401628 H\n0.295569 0.034738 0.901628 H\n0.704431 0.534738 0.598372 H\n0.704431 0.965262 0.098372 H\n0.246437 0.336698 0.372532 H\n0.246437 0.163302 0.872532 H\n0.753563 0.663302 0.627468 H\n0.753563 0.836698 0.127468 H\n0.251776 0.556432 0.826182 H\n0.251776 0.943568 0.326182 H\n0.748224 0.443568 0.173818 H\n0.748224 0.056432 0.673818 H\n0.094656 0.450187 0.782258 H\n0.094656 0.049813 0.282258 H\n0.905344 0.549813 0.217742 H\n0.905344 0.950187 0.717742 H\n0.953376 0.216966 0.248107 H\n0.953376 0.283034 0.748107 H\n0.046624 0.783034 0.751893 H\n0.046624 0.716966 0.251893 H\n0.975403 0.297923 0.407669 H\n0.975403 0.202077 0.907669 H\n0.024597 0.702077 0.592331 H\n0.024597 0.797923 0.092331 H\n0.282110 0.490325 0.067801 C\n0.282110 0.009675 0.567801 C\n0.717890 0.509675 0.932199 C\n0.717890 0.990325 0.432199 C\n0.415604 0.552016 0.206651 N\n0.415604 0.947984 0.706651 N\n0.584396 0.447984 0.793349 N\n0.584396 0.052016 0.293349 N\n0.485200 0.635096 0.156622 N\n0.485200 0.864904 0.656622 N\n0.514800 0.364904 0.843378 N\n0.514800 0.135096 0.343378 N\n0.217391 0.411352 0.136339 N\n0.217391 0.088648 0.636339 N\n0.782609 0.588648 0.863661 N\n0.782609 0.911352 0.363661 N\n0.313799 0.397270 0.339525 N\n0.313799 0.102730 0.839525 N\n0.686201 0.602730 0.660475 N\n0.686201 0.897270 0.160475 N\n0.205813 0.497116 0.877720 N\n0.205813 0.002884 0.377720 N\n0.794187 0.502884 0.122280 N\n0.794187 0.997116 0.622280 N\n0.810374 0.106767 0.028514 Cl\n0.810374 0.393233 0.528514 Cl\n0.189626 0.893233 0.971486 Cl\n0.189626 0.606767 0.471486 Cl\n0.432742 0.659687 0.985324 O\n0.432742 0.840313 0.485324 O\n0.567258 0.340313 0.014676 O\n0.567258 0.159687 0.514676 O\n0.610852 0.686451 0.296262 O\n0.610852 0.813549 0.796262 O\n0.389148 0.313549 0.703738 O\n0.389148 0.186451 0.203738 O\n0.050408 0.254445 0.366277 O\n0.050408 0.245555 0.866277 O\n0.949592 0.745555 0.633723 O\n0.949592 0.754445 0.133723 O\n",
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"formula_full": "H32 C4 N20 Cl4 O12",
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{
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"created_at": "2022-09-04T14:46:52.163184Z",
"structure_string": "Bi2 Se2\n1.0\n2.973716 2.984035 0.000000\n-2.973716 2.984035 0.000000\n0.000000 2.962586 12.559925\nBi Se\n2 2\ndirect\n0.685471 0.685471 0.136191 Bi\n0.314529 0.314529 0.863809 Bi\n0.806573 0.806573 0.897323 Se\n0.193427 0.193427 0.102677 Se\n",
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{
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"structure_string": "Zr1 Al1 Ni2\n1.0\n0.000000 3.064141 3.064141\n3.064141 0.000000 3.064141\n3.064141 3.064141 0.000000\nZr Al Ni\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Zr\n0.000000 0.000000 0.000000 Al\n0.750000 0.750000 0.750000 Ni\n0.250000 0.250000 0.250000 Ni\n",
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{
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"structure_string": "Sr1 Li1 Tl2\n1.0\n-6.168236 6.889960 9.761463\n6.168236 -6.889960 9.761463\n6.168236 6.889960 -9.761463\nSr Li Tl\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Sr\n0.000000 0.000000 0.000000 Li\n0.000000 0.222286 0.222286 Tl\n0.000000 0.777714 0.777714 Tl\n",
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{
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"structure_string": "Li5 Mn1 Ni4 O10\n1.0\n-2.907747 0.000000 0.000000\n1.423240 6.361585 0.000000\n-0.256314 -1.908715 -9.540200\nLi Mn Ni O\n5 1 4 10\ndirect\n0.701494 0.406931 0.602727 Li\n0.500000 0.000000 0.000000 Li\n0.298506 0.593069 0.397273 Li\n0.101582 0.205094 0.806649 Li\n0.898418 0.794906 0.193351 Li\n0.000000 0.000000 0.500000 Mn\n0.392697 0.795048 0.702824 Ni\n0.607303 0.204952 0.297176 Ni\n0.787412 0.596336 0.900469 Ni\n0.212588 0.403664 0.099531 Ni\n0.532729 0.089145 0.633655 O\n0.359763 0.679157 0.043452 O\n0.640237 0.320843 0.956548 O\n0.786735 0.495892 0.239363 O\n0.467271 0.910855 0.366345 O\n0.863382 0.722240 0.552434 O\n0.925381 0.876227 0.847801 O\n0.136618 0.277760 0.447566 O\n0.213265 0.504108 0.760637 O\n0.074619 0.123773 0.152199 O\n",
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{
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{
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