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{
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{
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{
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},
{
"id": "mp-567146",
"created_at": "2022-09-04T14:47:20.456145Z",
"structure_string": "Si6 P2 H54 C18 Br2 N4\n1.0\n9.205100 0.000000 0.000000\n4.444472 8.676585 0.000000\n1.912699 2.401826 12.294976\nSi P H C Br N\n6 2 54 18 2 4\ndirect\n0.211006 0.016888 0.766398 Si\n0.116599 0.552049 0.205410 Si\n0.230239 0.727022 0.333624 Si\n0.788994 0.983112 0.233602 Si\n0.883401 0.447951 0.794590 Si\n0.769761 0.272978 0.666376 Si\n0.098735 0.918863 0.062453 P\n0.901265 0.081137 0.937547 P\n0.255673 0.404706 0.056746 H\n0.626300 0.508534 0.912339 H\n0.850779 0.618576 0.607107 H\n0.961233 0.033545 0.589195 H\n0.368500 0.752943 0.725582 H\n0.842004 0.186814 0.291026 H\n0.785893 0.754956 0.373797 H\n0.149221 0.381424 0.392893 H\n0.147885 0.134552 0.569277 H\n0.152042 0.017438 0.294204 H\n0.655616 0.652611 0.673507 H\n0.642242 0.938660 0.406653 H\n0.344384 0.347389 0.326493 H\n0.373700 0.491466 0.087661 H\n0.443660 0.741806 0.190485 H\n0.495123 0.925691 0.806803 H\n0.556340 0.258194 0.809515 H\n0.319764 0.600863 0.519622 H\n0.374826 0.103823 0.854583 H\n0.717079 0.530870 0.534962 H\n0.282921 0.469130 0.465038 H\n0.752453 0.082260 0.580416 H\n0.221696 0.273865 0.285985 H\n0.377746 0.924631 0.931008 H\n0.157996 0.813186 0.708974 H\n0.847958 0.982562 0.705796 H\n0.835642 0.575881 0.265795 H\n0.928060 0.458338 0.165156 H\n0.504877 0.074309 0.193197 H\n0.235189 0.745495 0.841047 H\n0.200382 0.607157 0.007235 H\n0.503458 0.456309 0.745610 H\n0.842186 0.665525 0.126077 H\n0.214107 0.245044 0.626203 H\n0.625174 0.896177 0.145417 H\n0.799618 0.392843 0.992765 H\n0.071940 0.541662 0.834844 H\n0.157814 0.334475 0.873923 H\n0.778304 0.726135 0.714015 H\n0.680236 0.399137 0.480378 H\n0.116266 0.630543 0.512248 H\n0.038767 0.966455 0.410805 H\n0.764811 0.254505 0.158953 H\n0.474823 0.330920 0.678308 H\n0.631500 0.247057 0.274418 H\n0.852115 0.865448 0.430723 H\n0.883734 0.369457 0.487752 H\n0.164358 0.424119 0.734205 H\n0.496542 0.543691 0.254390 H\n0.744327 0.595294 0.943254 H\n0.525177 0.669080 0.321692 H\n0.622254 0.075369 0.068992 H\n0.247547 0.917740 0.419584 H\n0.357758 0.061340 0.593347 H\n0.622096 0.007769 0.151656 C\n0.158147 0.926989 0.366202 C\n0.762822 0.407050 0.530680 C\n0.248691 0.511333 0.077199 C\n0.910654 0.566360 0.189291 C\n0.756340 0.185923 0.239991 C\n0.556735 0.335704 0.730811 C\n0.767653 0.874188 0.374199 C\n0.232347 0.125812 0.625801 C\n0.089346 0.433640 0.810709 C\n0.377904 0.992231 0.848344 C\n0.237178 0.592950 0.469320 C\n0.782047 0.625895 0.685890 C\n0.443265 0.664296 0.269189 C\n0.217953 0.374105 0.314110 C\n0.243660 0.814077 0.760009 C\n0.751309 0.488667 0.922801 C\n0.841853 0.073011 0.633798 C\n0.133563 0.137872 0.082127 Br\n0.866437 0.862128 0.917873 Br\n0.007100 0.126812 0.823931 N\n0.902535 0.275993 0.754640 N\n0.992900 0.873188 0.176069 N\n0.097465 0.724007 0.245360 N\n",
"nsites": 86,
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"elements": [
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],
"chemical_system": "Br-C-H-N-P-Si",
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"formula_full": "Si6 P2 H54 C18 Br2 N4",
"formula_reduced": "Si3PH27C9BrN2",
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"energy": -449.85738038,
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"spacegroup": 2
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{
"id": "mp-1232352",
"created_at": "2022-09-04T14:47:20.483751Z",
"structure_string": "Dy4 Cr2 Fe2 O12\n1.0\n5.630883 0.000000 0.000000\n0.000000 5.311191 0.000000\n0.000000 5.316644 7.679667\nDy Cr Fe O\n4 2 2 12\ndirect\n0.567430 0.729635 0.750494 Dy\n0.432570 0.270365 0.249506 Dy\n0.067430 0.270365 0.749506 Dy\n0.932570 0.729635 0.250494 Dy\n0.500000 0.000000 0.000000 Cr\n0.000000 0.000000 0.500000 Cr\n0.000000 0.500000 0.000000 Fe\n0.500000 0.500000 0.500000 Fe\n0.197435 0.747828 0.059216 O\n0.802565 0.252172 0.940784 O\n0.697435 0.252172 0.440784 O\n0.302565 0.747828 0.559216 O\n0.696900 0.634535 0.059236 O\n0.303100 0.365465 0.940764 O\n0.196900 0.365465 0.440764 O\n0.803100 0.634535 0.559236 O\n0.956664 0.865372 0.749472 O\n0.043336 0.134628 0.250528 O\n0.456664 0.134628 0.750528 O\n0.543336 0.865372 0.249472 O\n",
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{
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"structure_string": "Zn4 In4 O10\n1.0\n1.740340 -3.014357 0.000000\n1.740340 3.014357 0.000000\n0.000000 0.000000 23.197526\nZn In O\n4 4 10\ndirect\n0.333333 0.666667 0.556859 Zn\n0.666667 0.333333 0.056859 Zn\n0.666667 0.333333 0.817949 Zn\n0.333333 0.666667 0.317949 Zn\n0.000000 0.000000 0.687075 In\n0.000000 0.000000 0.187075 In\n0.333333 0.666667 0.938908 In\n0.666667 0.333333 0.438908 In\n0.666667 0.333333 0.534653 O\n0.333333 0.666667 0.034653 O\n0.333333 0.666667 0.643187 O\n0.666667 0.333333 0.143187 O\n0.666667 0.333333 0.732673 O\n0.333333 0.666667 0.232673 O\n0.333333 0.666667 0.843777 O\n0.666667 0.333333 0.343777 O\n0.666667 0.333333 0.942920 O\n0.333333 0.666667 0.442920 O\n",
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{
"id": "mp-762044",
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"structure_string": "Li12 Sb8 P12 O48\n1.0\n9.324436 0.000000 0.000000\n0.000000 8.813557 0.000000\n0.000000 8.650785 12.773602\nLi Sb P O\n12 8 12 48\ndirect\n0.511202 0.588921 0.349015 Li\n0.087514 0.227590 0.685850 Li\n0.778334 0.638120 0.182659 Li\n0.278334 0.361880 0.317341 Li\n0.587514 0.772410 0.814150 Li\n0.011202 0.411079 0.150985 Li\n0.988798 0.588921 0.849015 Li\n0.412486 0.227590 0.185850 Li\n0.721666 0.638120 0.682659 Li\n0.221666 0.361880 0.817341 Li\n0.912486 0.772410 0.314150 Li\n0.488798 0.411079 0.650985 Li\n0.027023 0.868512 0.902583 Sb\n0.455388 0.664778 0.096029 Sb\n0.955388 0.335222 0.403971 Sb\n0.527023 0.131488 0.597417 Sb\n0.472977 0.868512 0.402583 Sb\n0.044612 0.664778 0.596029 Sb\n0.544612 0.335222 0.903971 Sb\n0.972977 0.131488 0.097417 Sb\n0.258246 0.454175 0.490709 P\n0.379445 0.059365 0.831357 P\n0.103220 0.718525 0.159685 P\n0.603220 0.281475 0.340315 P\n0.879445 0.940635 0.668643 P\n0.758246 0.545825 0.009291 P\n0.241754 0.454175 0.990709 P\n0.120555 0.059365 0.331357 P\n0.396780 0.718525 0.659685 P\n0.896780 0.281475 0.840315 P\n0.620555 0.940635 0.168643 P\n0.741754 0.545825 0.509291 P\n0.863270 0.521731 0.448699 O\n0.878613 0.071866 0.898290 O\n0.665718 0.367537 0.592856 O\n0.570865 0.744354 0.200078 O\n0.367418 0.320718 0.580061 O\n0.994352 0.641267 0.252859 O\n0.220357 0.082917 0.799927 O\n0.395200 0.922117 0.951299 O\n0.250901 0.619543 0.198301 O\n0.196151 0.356964 0.440204 O\n0.474139 0.997315 0.773238 O\n0.034747 0.670923 0.084867 O\n0.534747 0.329077 0.415133 O\n0.974139 0.002685 0.726762 O\n0.696151 0.643036 0.059796 O\n0.750901 0.380457 0.301699 O\n0.895200 0.077883 0.548701 O\n0.720357 0.917083 0.700073 O\n0.494352 0.358733 0.247141 O\n0.867418 0.679282 0.919939 O\n0.070865 0.255646 0.299922 O\n0.165718 0.632463 0.907144 O\n0.378613 0.928134 0.601710 O\n0.363270 0.478269 0.051301 O\n0.636730 0.521731 0.948699 O\n0.621387 0.071866 0.398290 O\n0.834282 0.367537 0.092856 O\n0.929135 0.744354 0.700078 O\n0.132582 0.320718 0.080061 O\n0.505648 0.641267 0.752859 O\n0.279643 0.082917 0.299927 O\n0.104800 0.922117 0.451299 O\n0.249099 0.619543 0.698301 O\n0.303849 0.356964 0.940204 O\n0.025861 0.997315 0.273238 O\n0.465253 0.670923 0.584867 O\n0.965253 0.329077 0.915133 O\n0.525861 0.002685 0.226762 O\n0.803849 0.643036 0.559796 O\n0.749099 0.380457 0.801699 O\n0.604800 0.077883 0.048701 O\n0.779643 0.917083 0.200073 O\n0.005648 0.358733 0.747141 O\n0.632582 0.679282 0.419939 O\n0.429135 0.255646 0.799922 O\n0.334282 0.632463 0.407144 O\n0.121387 0.928134 0.101710 O\n0.136730 0.478269 0.551301 O\n",
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"formula_full": "Li12 Sb8 P12 O48",
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{
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"structure_string": "Ca4 Sn8 S20\n1.0\n-0.013623 -0.482744 8.517770\n9.901966 0.087900 0.848560\n3.612951 9.500875 0.998559\nCa Sn S\n4 8 20\ndirect\n0.179239 0.499843 0.696816 Ca\n0.820761 0.500157 0.303184 Ca\n0.355938 0.974738 0.783475 Ca\n0.644062 0.025262 0.216525 Ca\n0.500000 0.500000 0.000000 Sn\n0.000000 0.000000 0.500000 Sn\n0.241383 0.753595 0.246546 Sn\n0.758617 0.246405 0.753454 Sn\n0.873446 0.800793 0.939001 Sn\n0.126554 0.199207 0.060999 Sn\n0.367410 0.302588 0.438011 Sn\n0.632590 0.697412 0.561989 Sn\n0.337678 0.010064 0.111820 S\n0.662322 0.989936 0.888180 S\n0.156549 0.491400 0.382136 S\n0.843451 0.508600 0.617864 S\n0.074845 0.838001 0.759258 S\n0.925155 0.161999 0.240742 S\n0.450863 0.294153 0.665728 S\n0.549137 0.705847 0.334272 S\n0.122135 0.772018 0.468829 S\n0.877865 0.227982 0.531171 S\n0.946821 0.799374 0.167883 S\n0.053179 0.200626 0.832117 S\n0.705105 0.941773 0.515158 S\n0.294895 0.058227 0.484842 S\n0.386366 0.726616 0.036373 S\n0.613634 0.273384 0.963627 S\n0.570662 0.332154 0.259988 S\n0.429338 0.667846 0.740012 S\n0.204324 0.444040 0.000416 S\n0.795676 0.555960 0.999584 S\n",
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