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{
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"structure_string": "Tl8 H4 Pt4 C20 N20 O4\n1.0\n20.629450 0.000000 0.000000\n0.000000 6.781692 0.000000\n0.000000 4.018612 8.287683\nTl H Pt C N O\n8 4 4 20 20 4\ndirect\n0.281712 0.735393 0.823590 Tl\n0.781712 0.264607 0.676410 Tl\n0.218288 0.735393 0.323590 Tl\n0.417844 0.360190 0.708729 Tl\n0.917844 0.639810 0.791271 Tl\n0.582156 0.639810 0.291271 Tl\n0.082156 0.360190 0.208729 Tl\n0.718288 0.264607 0.176410 Tl\n0.084204 0.586799 0.446556 H\n0.584204 0.413201 0.053444 H\n0.415796 0.586799 0.946556 H\n0.915796 0.413201 0.553444 H\n0.119474 0.228581 0.692319 Pt\n0.380526 0.228581 0.192319 Pt\n0.880526 0.771419 0.307681 Pt\n0.619474 0.771419 0.807681 Pt\n0.085928 0.432238 0.782833 C\n0.212103 0.320678 0.703304 C\n0.126159 0.986628 0.913551 C\n0.414072 0.432238 0.282833 C\n0.287897 0.320678 0.203304 C\n0.373841 0.986628 0.413551 C\n0.026907 0.154255 0.667360 C\n0.973093 0.845745 0.332640 C\n0.526907 0.845745 0.832640 C\n0.585928 0.567762 0.717167 C\n0.348568 0.031510 0.094657 C\n0.712103 0.679322 0.796696 C\n0.626159 0.013372 0.586449 C\n0.651432 0.968490 0.905343 C\n0.151432 0.031510 0.594657 C\n0.473093 0.154255 0.167360 C\n0.787897 0.679322 0.296696 C\n0.914072 0.567762 0.217167 C\n0.873841 0.013372 0.086449 C\n0.848568 0.968490 0.405343 C\n0.472588 0.876380 0.853461 N\n0.527412 0.123620 0.146539 N\n0.867487 0.153115 0.955089 N\n0.765540 0.619808 0.798172 N\n0.367487 0.846885 0.544911 N\n0.171454 0.931633 0.528058 N\n0.671454 0.068367 0.971942 N\n0.132513 0.846885 0.044911 N\n0.972588 0.123620 0.646539 N\n0.437323 0.540065 0.339908 N\n0.265540 0.380192 0.701828 N\n0.632513 0.153115 0.455089 N\n0.734460 0.619808 0.298172 N\n0.234460 0.380192 0.201828 N\n0.937323 0.459935 0.160092 N\n0.562677 0.459935 0.660092 N\n0.027412 0.876380 0.353461 N\n0.328546 0.931633 0.028058 N\n0.062677 0.540065 0.839908 N\n0.828546 0.068367 0.471942 N\n0.384073 0.473702 0.954589 O\n0.884073 0.526298 0.545411 O\n0.115927 0.473702 0.454589 O\n0.615927 0.526298 0.045411 O\n",
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"formula_full": "Tl8 H4 Pt4 C20 N20 O4",
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"updated_at": "2021-11-28T01:34:56.074000Z",
"spacegroup": 14
},
{
"id": "mp-1111508",
"created_at": "2022-09-04T14:40:26.538249Z",
"structure_string": "Na2 Er1 Cu1 Cl6\n1.0\n0.000000 5.105572 5.105572\n5.105572 0.000000 5.105572\n5.105572 5.105572 0.000000\nNa Er Cu Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Na\n0.250000 0.250000 0.250000 Na\n0.000000 0.000000 0.000000 Er\n0.500000 0.500000 0.500000 Cu\n0.745891 0.254109 0.254109 Cl\n0.254109 0.254109 0.745891 Cl\n0.254109 0.745891 0.745891 Cl\n0.254109 0.745891 0.254109 Cl\n0.745891 0.254109 0.745891 Cl\n0.745891 0.745891 0.254109 Cl\n",
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"density": 3.0538017167448737,
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"volume": 266.1725167098203,
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"formula_full": "Na2 Er1 Cu1 Cl6",
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{
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{
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"structure_string": "Cl8 O8\n1.0\n-7.523461 7.523461 8.143705\n7.523461 -7.523461 8.143705\n7.523461 7.523461 -8.143705\nCl O\n8 8\ndirect\n0.262386 0.195857 0.066529 Cl\n0.129328 0.195857 0.933471 Cl\n0.945857 0.379328 0.433471 Cl\n0.620672 0.054143 0.566529 Cl\n0.487614 0.054143 0.433471 Cl\n0.945857 0.512386 0.566529 Cl\n0.804143 0.870672 0.066529 Cl\n0.804143 0.737614 0.933471 Cl\n0.333724 0.087404 0.246321 O\n0.841083 0.087404 0.753679 O\n0.837404 0.091083 0.253679 O\n0.908917 0.162596 0.746321 O\n0.416276 0.162596 0.253679 O\n0.837404 0.583724 0.746321 O\n0.912596 0.158917 0.246321 O\n0.912596 0.666276 0.753679 O\n",
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{
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"structure_string": "Pr1 Fe4 P12\n1.0\n-3.909427 3.909427 3.909427\n3.909427 -3.909427 3.909427\n3.909427 3.909427 -3.909427\nPr Fe P\n1 4 12\ndirect\n0.000000 0.000000 0.000000 Pr\n0.000000 0.000000 0.500000 Fe\n0.000000 0.500000 0.000000 Fe\n0.500000 0.000000 0.000000 Fe\n0.500000 0.500000 0.500000 Fe\n0.848170 0.646571 0.494740 P\n0.848170 0.353429 0.201599 P\n0.151830 0.646571 0.798401 P\n0.353429 0.505260 0.151830 P\n0.505260 0.151830 0.353429 P\n0.151830 0.353429 0.505260 P\n0.646571 0.798401 0.151830 P\n0.201599 0.848170 0.353429 P\n0.646571 0.494740 0.848170 P\n0.798401 0.151830 0.646571 P\n0.353429 0.201599 0.848170 P\n0.494740 0.848170 0.646571 P\n",
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{
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{
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"structure_string": "Pr2 S2 O2\n1.0\n-1.960638 2.328872 6.326660\n1.960638 -2.328872 6.326660\n1.960638 2.328872 -6.326660\nPr S O\n2 2 2\ndirect\n0.663337 0.663337 0.000000 Pr\n0.336663 0.336663 0.000000 Pr\n0.222159 0.000000 0.222159 S\n0.777841 0.000000 0.777841 S\n0.766789 0.266789 0.500000 O\n0.233211 0.733211 0.500000 O\n",
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{
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"structure_string": "Li2 V4 P8 H4 O32\n1.0\n7.778587 0.000000 0.000000\n-1.919355 9.081692 0.000000\n-1.947782 -4.627617 7.814343\nLi V P H O\n2 4 8 4 32\ndirect\n0.643850 0.630275 0.459246 Li\n0.856067 0.128078 0.658321 Li\n0.495774 0.010884 0.240263 V\n0.012515 0.506696 0.499985 V\n0.998065 0.497374 0.997653 V\n0.495516 0.996284 0.753516 V\n0.732004 0.353299 0.253098 P\n0.735039 0.350124 0.752017 P\n0.767444 0.848696 0.644261 P\n0.765407 0.853074 0.146409 P\n0.231934 0.149340 0.354490 P\n0.233942 0.153247 0.850775 P\n0.268412 0.648726 0.750080 P\n0.264104 0.655596 0.238336 P\n0.487205 0.508342 0.759397 H\n0.507731 0.494461 0.242309 H\n0.012637 0.007210 0.484248 H\n0.984010 0.992389 0.017274 H\n0.947943 0.948510 0.123932 O\n0.655440 0.952233 0.176603 O\n0.366757 0.166520 0.014039 O\n0.323405 0.834909 0.219680 O\n0.848120 0.445326 0.625944 O\n0.839820 0.441815 0.126006 O\n0.670036 0.173493 0.271828 O\n0.635288 0.829241 0.485986 O\n0.565842 0.458611 0.677047 O\n0.553153 0.452612 0.179597 O\n0.340852 0.059651 0.314907 O\n0.171672 0.328096 0.194294 O\n0.189992 0.332649 0.697299 O\n0.936271 0.958248 0.613491 O\n0.869692 0.337013 0.928007 O\n0.862279 0.329154 0.430574 O\n0.136923 0.668078 0.575170 O\n0.127679 0.666053 0.067904 O\n0.053523 0.047690 0.378547 O\n0.826862 0.668171 0.803147 O\n0.812181 0.679596 0.310769 O\n0.656769 0.939000 0.680923 O\n0.447202 0.546760 0.825419 O\n0.440992 0.555953 0.314385 O\n0.365027 0.165679 0.509764 O\n0.318787 0.825481 0.728257 O\n0.157981 0.554145 0.877826 O\n0.151160 0.568336 0.363754 O\n0.691364 0.173062 0.770852 O\n0.635857 0.833797 0.991547 O\n0.352024 0.061112 0.823129 O\n0.057452 0.056943 0.876676 O\n",
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{
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}