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{
"id": "mp-559869",
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{
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"structure_string": "Rb4 Ga8 Au12\n1.0\n5.693497 0.000000 0.000000\n0.000000 7.194784 0.000000\n0.000000 0.000000 13.635534\nRb Ga Au\n4 8 12\ndirect\n0.250000 0.100230 0.073408 Rb\n0.250000 0.399770 0.573408 Rb\n0.750000 0.899770 0.926592 Rb\n0.750000 0.600230 0.426592 Rb\n0.998028 0.895198 0.654751 Ga\n0.501972 0.604802 0.154751 Ga\n0.498028 0.104802 0.345249 Ga\n0.001972 0.395198 0.845249 Ga\n0.001972 0.104802 0.345249 Ga\n0.498028 0.395198 0.845249 Ga\n0.501972 0.895198 0.654751 Ga\n0.998028 0.604802 0.154751 Ga\n0.250000 0.109626 0.784851 Au\n0.250000 0.390374 0.284851 Au\n0.750000 0.890374 0.215149 Au\n0.750000 0.609626 0.715149 Au\n0.250000 0.699209 0.789373 Au\n0.250000 0.800791 0.289373 Au\n0.750000 0.300791 0.210627 Au\n0.750000 0.199209 0.710627 Au\n0.250000 0.579154 0.993297 Au\n0.250000 0.920846 0.493297 Au\n0.750000 0.420846 0.006703 Au\n0.750000 0.079154 0.506703 Au\n",
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"volume": 558.5589395653184,
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"formula_full": "Rb4 Ga8 Au12",
"formula_reduced": "RbGa2Au3",
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},
{
"id": "mp-569349",
"created_at": "2022-09-04T14:48:15.560648Z",
"structure_string": "Rb16 Hg8 P8 Se40\n1.0\n18.064917 0.000000 0.000000\n0.000000 18.064917 0.000000\n0.000000 0.000000 7.376903\nRb Hg P Se\n16 8 8 40\ndirect\n0.147326 0.173495 0.021820 Rb\n0.411655 0.121319 0.985353 Rb\n0.647326 0.673495 0.478180 Rb\n0.621319 0.088345 0.485353 Rb\n0.826505 0.147326 0.978180 Rb\n0.088345 0.378681 0.514647 Rb\n0.352674 0.326505 0.478180 Rb\n0.588345 0.878681 0.985353 Rb\n0.878681 0.411655 0.014647 Rb\n0.378681 0.911655 0.485353 Rb\n0.673495 0.352674 0.521820 Rb\n0.911655 0.621319 0.514647 Rb\n0.852674 0.826505 0.021820 Rb\n0.121319 0.588345 0.014647 Rb\n0.173495 0.852674 0.978180 Rb\n0.326505 0.647326 0.521820 Rb\n0.130163 0.937790 0.474186 Hg\n0.869837 0.062210 0.474186 Hg\n0.562210 0.630163 0.974186 Hg\n0.437790 0.369837 0.974186 Hg\n0.630163 0.437790 0.025814 Hg\n0.937790 0.869837 0.525814 Hg\n0.369837 0.562210 0.025814 Hg\n0.062210 0.130163 0.525814 Hg\n0.731784 0.906084 0.518753 P\n0.268216 0.093916 0.518753 P\n0.093916 0.731784 0.481247 P\n0.406084 0.768216 0.018753 P\n0.768216 0.593916 0.981247 P\n0.231784 0.406084 0.981247 P\n0.593916 0.231784 0.018753 P\n0.906084 0.268216 0.481247 P\n0.266111 0.480298 0.211501 Se\n0.696396 0.304295 0.005252 Se\n0.803604 0.195705 0.494748 Se\n0.432729 0.489527 0.740059 Se\n0.989527 0.067271 0.240059 Se\n0.233889 0.019702 0.288499 Se\n0.489527 0.567271 0.259941 Se\n0.753841 0.537816 0.717809 Se\n0.371752 0.883769 0.972055 Se\n0.567271 0.510473 0.740059 Se\n0.116231 0.371752 0.027945 Se\n0.037816 0.746159 0.217809 Se\n0.519702 0.266111 0.788499 Se\n0.962184 0.253841 0.217809 Se\n0.019702 0.766111 0.711501 Se\n0.010473 0.932729 0.240059 Se\n0.067271 0.010473 0.759941 Se\n0.246159 0.462184 0.717809 Se\n0.804295 0.803604 0.505252 Se\n0.883769 0.628248 0.027945 Se\n0.128248 0.616231 0.527945 Se\n0.628248 0.116231 0.972055 Se\n0.537816 0.246159 0.282191 Se\n0.510473 0.432729 0.259941 Se\n0.480298 0.733889 0.788499 Se\n0.746159 0.962184 0.782191 Se\n0.253841 0.037816 0.782191 Se\n0.980298 0.233889 0.711501 Se\n0.196396 0.804295 0.494748 Se\n0.695705 0.696396 0.994748 Se\n0.462184 0.753841 0.282191 Se\n0.383769 0.128248 0.472055 Se\n0.195705 0.196396 0.505252 Se\n0.932729 0.989527 0.759941 Se\n0.616231 0.871752 0.472055 Se\n0.733889 0.519702 0.211501 Se\n0.303604 0.695705 0.005252 Se\n0.766111 0.980298 0.288499 Se\n0.871752 0.383769 0.527945 Se\n0.304295 0.303604 0.994748 Se\n",
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"elements": [
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],
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"density_atomic": 0.02990793874497462,
"volume": 2407.3875707030475,
"volume_molar": 20.135592798122502,
"formula_full": "Rb16 Hg8 P8 Se40",
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"spacegroup": 86
},
{
"id": "mp-561098",
"created_at": "2022-09-04T14:47:59.695769Z",
"structure_string": "Li4 U4 P4 O24\n1.0\n5.122583 0.000000 0.000000\n2.216796 9.827354 0.000000\n2.455900 4.317844 9.782669\nLi U P O\n4 4 4 24\ndirect\n0.565207 0.907240 0.695321 Li\n0.553038 0.383335 0.763824 Li\n0.446962 0.616665 0.236176 Li\n0.434793 0.092760 0.304679 Li\n0.489663 0.278867 0.483581 U\n0.510337 0.721133 0.516419 U\n0.990833 0.793292 0.979326 U\n0.009167 0.206708 0.020674 U\n0.077040 0.889369 0.264900 P\n0.922960 0.110631 0.735100 P\n0.946260 0.585467 0.778568 P\n0.053740 0.414533 0.221432 P\n0.165639 0.039569 0.234118 O\n0.674600 0.183430 0.121347 O\n0.241916 0.296654 0.324630 O\n0.341780 0.233500 0.918161 O\n0.242159 0.567954 0.704460 O\n0.314788 0.890541 0.529652 O\n0.325400 0.816570 0.878653 O\n0.207753 0.125704 0.648503 O\n0.758084 0.703346 0.675370 O\n0.065908 0.898397 0.121088 O\n0.757841 0.432046 0.295540 O\n0.940469 0.641775 0.889411 O\n0.720667 0.554427 0.509560 O\n0.658220 0.766500 0.081839 O\n0.934092 0.101603 0.878912 O\n0.159705 0.567896 0.156356 O\n0.059531 0.358225 0.110589 O\n0.840295 0.432104 0.843644 O\n0.792247 0.874296 0.351497 O\n0.834361 0.960431 0.765882 O\n0.279333 0.445573 0.490440 O\n0.285369 0.756202 0.338574 O\n0.685212 0.109459 0.470348 O\n0.714631 0.243798 0.661426 O\n",
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"volume": 492.47361061014885,
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"formula_full": "Li4 U4 P4 O24",
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"spacegroup": 2
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{
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"structure_string": "Tb2 Fe2 Si2 C1\n1.0\n1.969328 5.296085 0.000000\n-1.969328 5.296085 0.000000\n0.000000 4.297659 5.224708\nTb Fe Si C\n2 2 2 1\ndirect\n0.059085 0.059085 0.205854 Tb\n0.940915 0.940915 0.794146 Tb\n0.299503 0.299503 0.594602 Fe\n0.700497 0.700497 0.405398 Fe\n0.336591 0.336591 0.219143 Si\n0.663409 0.663409 0.780857 Si\n0.500000 0.500000 0.500000 C\n",
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{
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"structure_string": "Na4 Zn4 Mo4 H4 O20\n1.0\n6.259791 0.000000 0.000000\n0.000000 7.950209 0.000000\n0.000000 0.000000 9.398388\nNa Zn Mo H O\n4 4 4 4 20\ndirect\n0.750000 0.351984 0.693734 Na\n0.250000 0.648016 0.306266 Na\n0.750000 0.851984 0.806266 Na\n0.250000 0.148016 0.193734 Na\n0.500000 0.500000 0.000000 Zn\n0.000000 0.500000 0.000000 Zn\n0.000000 0.000000 0.500000 Zn\n0.500000 0.000000 0.500000 Zn\n0.250000 0.117288 0.835644 Mo\n0.750000 0.882712 0.164356 Mo\n0.250000 0.617288 0.664356 Mo\n0.750000 0.382712 0.335644 Mo\n0.750000 0.755062 0.518362 H\n0.250000 0.244938 0.481638 H\n0.750000 0.255062 0.981638 H\n0.250000 0.744938 0.018362 H\n0.015418 0.105734 0.725437 O\n0.515418 0.894266 0.274563 O\n0.484582 0.605734 0.774563 O\n0.984582 0.394266 0.225437 O\n0.984582 0.894266 0.274563 O\n0.484582 0.105734 0.725437 O\n0.515418 0.394266 0.225437 O\n0.015418 0.605734 0.774563 O\n0.250000 0.447228 0.541554 O\n0.750000 0.552772 0.458446 O\n0.250000 0.947228 0.958446 O\n0.750000 0.052772 0.041554 O\n0.750000 0.869286 0.560829 O\n0.250000 0.130714 0.439171 O\n0.750000 0.369286 0.939171 O\n0.250000 0.630714 0.060829 O\n0.250000 0.309261 0.943376 O\n0.750000 0.690739 0.056624 O\n0.250000 0.809261 0.556624 O\n0.750000 0.190739 0.443376 O\n",
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"formula_full": "Na4 Zn4 Mo4 H4 O20",
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{
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"structure_string": "Co1 C6 N6\n1.0\n0.000000 0.000000 -6.025542\n-3.407142 -5.901343 0.000000\n-3.407142 5.901343 0.000000\nCo C N\n1 6 6\ndirect\n0.000000 0.000000 0.000000 Co\n0.189547 0.781684 0.000000 C\n0.189547 0.000000 0.781684 C\n0.189547 0.218316 0.218316 C\n0.810453 0.218316 0.000000 C\n0.810453 0.000000 0.218316 C\n0.810453 0.781684 0.781684 C\n0.301055 0.639116 0.000000 N\n0.301055 0.000000 0.639116 N\n0.301055 0.360884 0.360884 N\n0.698945 0.360884 0.000000 N\n0.698945 0.000000 0.360884 N\n0.698945 0.639116 0.639116 N\n",
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"volume": 242.30769445759069,
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{
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