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{
"id": "mp-1204472",
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"structure_string": "Y12 Se8 Cl4 O32\n1.0\n5.580280 0.000000 0.000000\n0.000000 11.174380 0.000000\n0.000000 0.000000 14.769242\nY Se Cl O\n12 8 4 32\ndirect\n0.561949 0.147530 0.750000 Y\n0.061949 0.352470 0.750000 Y\n0.438051 0.852470 0.250000 Y\n0.938051 0.647530 0.250000 Y\n0.575302 0.356500 0.567222 Y\n0.075302 0.143500 0.932778 Y\n0.424698 0.643500 0.067222 Y\n0.924698 0.856500 0.432778 Y\n0.424698 0.643500 0.432778 Y\n0.924698 0.856500 0.067222 Y\n0.575302 0.356500 0.932778 Y\n0.075302 0.143500 0.567222 Y\n0.592757 0.122869 0.108523 Se\n0.092757 0.377131 0.391477 Se\n0.407243 0.877131 0.608523 Se\n0.907243 0.622869 0.891477 Se\n0.407243 0.877131 0.891477 Se\n0.907243 0.622869 0.608523 Se\n0.592757 0.122869 0.391477 Se\n0.092757 0.377131 0.108523 Se\n0.570188 0.475963 0.750000 Cl\n0.070188 0.024037 0.750000 Cl\n0.429812 0.524037 0.250000 Cl\n0.929812 0.975963 0.250000 Cl\n0.569889 0.999905 0.636121 O\n0.069889 0.500095 0.863879 O\n0.430111 0.000095 0.136121 O\n0.930111 0.499905 0.363879 O\n0.430111 0.000095 0.363879 O\n0.930111 0.499905 0.136121 O\n0.569889 0.999905 0.863879 O\n0.069889 0.500095 0.636121 O\n0.922315 0.310061 0.022703 O\n0.422315 0.189939 0.477297 O\n0.077685 0.689939 0.522703 O\n0.577685 0.810061 0.977297 O\n0.077685 0.689939 0.977297 O\n0.577685 0.810061 0.522703 O\n0.922315 0.310061 0.477297 O\n0.422315 0.189939 0.022703 O\n0.825193 0.057531 0.045454 O\n0.325193 0.442469 0.454546 O\n0.174807 0.942469 0.545454 O\n0.674807 0.557531 0.954546 O\n0.174807 0.942469 0.954546 O\n0.674807 0.557531 0.545454 O\n0.825193 0.057531 0.454546 O\n0.325193 0.442469 0.045454 O\n0.814612 0.244250 0.652460 O\n0.314612 0.255750 0.847540 O\n0.185388 0.755750 0.152460 O\n0.685388 0.744250 0.347540 O\n0.185388 0.755750 0.347540 O\n0.685388 0.744250 0.152460 O\n0.814612 0.244250 0.847540 O\n0.314612 0.255750 0.652460 O\n",
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"formula_full": "Y12 Se8 Cl4 O32",
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"spacegroup": 62
},
{
"id": "mp-625661",
"created_at": "2022-09-04T14:40:14.607022Z",
"structure_string": "H36 Br4 O16\n1.0\n7.046701 0.000000 0.000000\n-2.724229 -6.851659 0.000000\n-0.188512 0.050772 -11.586152\nH Br O\n36 4 16\ndirect\n0.329108 0.019015 0.664974 H\n0.204389 0.842577 0.748427 H\n0.906168 0.996556 0.236957 H\n0.678845 0.025342 0.173291 H\n0.964549 0.151578 0.816923 H\n0.802355 0.955867 0.746189 H\n0.074524 0.035276 0.733281 H\n0.018516 0.851827 0.312573 H\n0.183690 0.032493 0.242711 H\n0.565475 0.800676 0.839217 H\n0.636118 0.666221 0.756049 H\n0.447954 0.197917 0.334351 H\n0.381534 0.328440 0.246399 H\n0.620521 0.380703 0.825237 H\n0.639855 0.368945 0.688142 H\n0.075687 0.481178 0.258100 H\n0.368300 0.643682 0.184472 H\n0.384876 0.624134 0.321839 H\n0.128309 0.536030 0.841826 H\n0.946903 0.539152 0.761785 H\n0.822473 0.203258 0.257075 H\n0.903492 0.492634 0.342589 H\n0.163481 0.340400 0.558620 H\n0.197183 0.511924 0.668305 H\n0.353432 0.565067 0.551375 H\n0.642722 0.441892 0.053101 H\n0.808184 0.504355 0.168686 H\n0.832976 0.668327 0.057620 H\n0.500923 0.844587 0.475770 H\n0.626351 0.705324 0.465755 H\n0.496672 0.159489 0.975586 H\n0.365229 0.292982 0.965252 H\n0.024881 0.055604 0.493231 H\n0.883521 0.177808 0.496490 H\n0.973672 0.948293 0.998847 H\n0.109596 0.821113 0.995577 H\n0.941900 0.713817 0.487704 Br\n0.047294 0.287171 0.988439 Br\n0.553739 0.158373 0.520838 Br\n0.450183 0.850340 0.021580 Br\n0.245288 0.985613 0.735576 O\n0.768095 0.056174 0.243053 O\n0.942969 0.079816 0.740905 O\n0.038669 0.926314 0.238696 O\n0.613170 0.792071 0.760064 O\n0.398961 0.201756 0.253713 O\n0.691014 0.454707 0.756261 O\n0.319337 0.552618 0.249805 O\n0.100845 0.588695 0.767559 O\n0.921215 0.435338 0.267777 O\n0.267985 0.457710 0.607122 O\n0.730515 0.552695 0.107455 O\n0.485196 0.707165 0.458606 O\n0.507900 0.296011 0.959532 O\n0.026633 0.189309 0.482250 O\n0.967312 0.814213 0.982451 O\n",
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"volume": 559.3978675021806,
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"formula_full": "H36 Br4 O16",
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"formula_anonymous": "AB4C9",
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"spacegroup": 1
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{
"id": "mp-1217268",
"created_at": "2022-09-04T14:40:18.657435Z",
"structure_string": "Tm16 Pb8 S32\n1.0\n3.941896 -14.263205 0.000000\n3.941896 14.263205 0.000000\n0.000000 0.000000 12.077418\nTm Pb S\n16 8 32\ndirect\n0.068285 0.931715 0.911948 Tm\n0.931715 0.068285 0.411948 Tm\n0.568838 0.431162 0.919864 Tm\n0.431162 0.568838 0.419864 Tm\n0.430209 0.069788 0.787405 Tm\n0.930212 0.569791 0.787405 Tm\n0.569791 0.930212 0.287405 Tm\n0.069788 0.430209 0.287405 Tm\n0.326806 0.172165 0.266703 Tm\n0.827835 0.673194 0.266703 Tm\n0.673194 0.827835 0.766703 Tm\n0.172165 0.326806 0.766703 Tm\n0.674307 0.325693 0.433008 Tm\n0.325693 0.674307 0.933008 Tm\n0.175126 0.824874 0.429862 Tm\n0.824874 0.175126 0.929862 Tm\n0.537965 0.462035 0.619739 Pb\n0.462035 0.537965 0.119739 Pb\n0.047123 0.952877 0.563640 Pb\n0.952877 0.047123 0.063640 Pb\n0.462173 0.040886 0.096466 Pb\n0.959114 0.537827 0.096466 Pb\n0.537827 0.959114 0.596466 Pb\n0.040886 0.462173 0.596466 Pb\n0.516608 0.483392 0.317939 S\n0.483392 0.516608 0.817939 S\n0.708174 0.291826 0.645555 S\n0.291826 0.708174 0.145555 S\n0.161964 0.838036 0.936464 S\n0.838036 0.161964 0.436464 S\n0.662836 0.337164 0.938498 S\n0.337164 0.662836 0.438498 S\n0.361091 0.136716 0.475809 S\n0.863284 0.638909 0.475809 S\n0.638909 0.863284 0.975809 S\n0.136716 0.361091 0.975809 S\n0.208571 0.791429 0.644953 S\n0.791429 0.208571 0.144953 S\n0.486209 0.017107 0.384169 S\n0.982893 0.513791 0.384169 S\n0.513791 0.982893 0.884169 S\n0.017107 0.486209 0.884169 S\n0.639886 0.360114 0.225414 S\n0.360114 0.639886 0.725414 S\n0.288297 0.206711 0.058023 S\n0.793289 0.711703 0.058023 S\n0.711703 0.793289 0.558023 S\n0.206711 0.288297 0.558023 S\n0.019952 0.980048 0.333981 S\n0.980048 0.019952 0.833981 S\n0.339710 0.165654 0.767481 S\n0.834346 0.660290 0.767481 S\n0.660290 0.834346 0.267481 S\n0.165654 0.339710 0.267481 S\n0.140304 0.859696 0.222822 S\n0.859696 0.140304 0.722822 S\n",
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{
"id": "mp-1197816",
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"structure_string": "Au8 I40 N8\n1.0\n7.435439 0.000000 0.000000\n0.000000 13.534160 0.000000\n0.000000 0.000000 21.643870\nAu I N\n8 40 8\ndirect\n0.738218 0.083123 0.250000 Au\n0.761782 0.583123 0.250000 Au\n0.261782 0.916877 0.750000 Au\n0.238218 0.416877 0.750000 Au\n0.000000 0.000000 0.000000 Au\n0.500000 0.500000 0.500000 Au\n0.000000 0.000000 0.500000 Au\n0.500000 0.500000 0.000000 Au\n0.439485 0.978061 0.250000 I\n0.060515 0.478061 0.250000 I\n0.560515 0.021939 0.750000 I\n0.939485 0.521939 0.750000 I\n0.737878 0.086249 0.128592 I\n0.762122 0.586249 0.371408 I\n0.262122 0.913751 0.628592 I\n0.237878 0.413751 0.871408 I\n0.262122 0.913751 0.871408 I\n0.237878 0.413751 0.628592 I\n0.737878 0.086249 0.371408 I\n0.762122 0.586249 0.128592 I\n0.041217 0.185537 0.250000 I\n0.458783 0.685537 0.250000 I\n0.958783 0.814463 0.750000 I\n0.541217 0.314463 0.750000 I\n0.298265 0.067210 0.055553 I\n0.201735 0.567210 0.444447 I\n0.701735 0.932790 0.555553 I\n0.798265 0.432790 0.944447 I\n0.701735 0.932790 0.944447 I\n0.798265 0.432790 0.555553 I\n0.298265 0.067210 0.444447 I\n0.201735 0.567210 0.055553 I\n0.088323 0.813295 0.034481 I\n0.411677 0.313295 0.465519 I\n0.911677 0.186705 0.534481 I\n0.588323 0.686705 0.965519 I\n0.911677 0.186705 0.965519 I\n0.588323 0.686705 0.534481 I\n0.088323 0.813295 0.465519 I\n0.411677 0.313295 0.034481 I\n0.048495 0.832978 0.185635 I\n0.451505 0.332978 0.314365 I\n0.951505 0.167022 0.685635 I\n0.548495 0.667022 0.814365 I\n0.951505 0.167022 0.814365 I\n0.548495 0.667022 0.685635 I\n0.048495 0.832978 0.314365 I\n0.451505 0.332978 0.185635 I\n0.528480 0.830562 0.111670 N\n0.971520 0.330562 0.388330 N\n0.471520 0.169438 0.611670 N\n0.028480 0.669438 0.888330 N\n0.471520 0.169438 0.888330 N\n0.028480 0.669438 0.611670 N\n0.528480 0.830562 0.388330 N\n0.971520 0.330562 0.111670 N\n",
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{
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{
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"updated_at": "2021-11-28T01:34:56.526000Z",
"spacegroup": 62
},
{
"id": "mp-14424",
"created_at": "2022-09-04T14:40:22.867010Z",
"structure_string": "Sr8 Al16 S32\n1.0\n0.000000 10.317986 10.611727\n6.113846 0.000000 10.611727\n6.113846 10.317986 0.000000\nSr Al S\n8 16 32\ndirect\n0.998694 0.998694 0.501306 Sr\n0.501306 0.501306 0.998694 Sr\n0.251306 0.251306 0.748694 Sr\n0.748694 0.748694 0.251306 Sr\n0.750000 0.750000 0.750000 Sr\n0.500000 0.500000 0.500000 Sr\n0.250000 0.250000 0.250000 Sr\n0.000000 0.000000 0.000000 Sr\n0.733175 0.016042 0.990641 Al\n0.260142 0.990641 0.016042 Al\n0.990641 0.260142 0.733175 Al\n0.016042 0.733175 0.260142 Al\n0.516825 0.233958 0.259359 Al\n0.989858 0.259359 0.233958 Al\n0.259359 0.989858 0.516825 Al\n0.233958 0.516825 0.989858 Al\n0.593639 0.156558 0.761925 Al\n0.487879 0.761925 0.156558 Al\n0.761925 0.487879 0.593639 Al\n0.156558 0.593639 0.487879 Al\n0.656361 0.093442 0.488075 Al\n0.762121 0.488075 0.093442 Al\n0.488075 0.762121 0.656361 Al\n0.093442 0.656361 0.762121 Al\n0.315529 0.435845 0.285052 S\n0.963574 0.285052 0.435845 S\n0.285052 0.963574 0.315529 S\n0.435845 0.315529 0.963574 S\n0.934471 0.814155 0.964948 S\n0.286426 0.964948 0.814155 S\n0.964948 0.286426 0.934471 S\n0.814155 0.934471 0.286426 S\n0.045521 0.043224 0.205108 S\n0.706148 0.205108 0.043224 S\n0.205108 0.706148 0.045521 S\n0.043224 0.045521 0.706148 S\n0.204479 0.206776 0.044892 S\n0.543852 0.044892 0.206776 S\n0.044892 0.543852 0.204479 S\n0.206776 0.204479 0.543852 S\n0.544663 0.543362 0.205342 S\n0.706633 0.205342 0.543362 S\n0.205342 0.706633 0.544663 S\n0.543362 0.544663 0.706633 S\n0.705337 0.706638 0.044658 S\n0.543367 0.044658 0.706638 S\n0.044658 0.543367 0.705337 S\n0.706638 0.705337 0.543367 S\n0.979574 0.768996 0.462671 S\n0.788759 0.462671 0.768996 S\n0.462671 0.788759 0.979574 S\n0.768996 0.979574 0.788759 S\n0.270426 0.481004 0.787329 S\n0.461241 0.787329 0.481004 S\n0.787329 0.461241 0.270426 S\n0.481004 0.270426 0.461241 S\n",
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"nelements": 3,
"elements": [
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],
"chemical_system": "Al-S-Sr",
"density": 2.6774715904092945,
"density_atomic": 0.04182756022448216,
"volume": 1338.830180375248,
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"formula_full": "Sr8 Al16 S32",
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"total_magnetization": 2.6e-06,
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"updated_at": "2021-11-28T01:34:50.627000Z",
"spacegroup": 70
}
]
}