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{
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"structure_string": "Ca2 B24 H24\n1.0\n6.274503 3.558073 0.000000\n-6.274503 3.558073 0.000000\n0.000000 0.048166 11.144242\nCa B H\n2 24 24\ndirect\n0.828204 0.171796 0.750000 Ca\n0.171796 0.828204 0.250000 Ca\n0.386992 0.918622 0.832987 B\n0.081378 0.613008 0.667013 B\n0.613008 0.081378 0.167013 B\n0.918622 0.386992 0.332987 B\n0.247263 0.061966 0.834241 B\n0.938034 0.752737 0.665759 B\n0.752737 0.938034 0.165759 B\n0.061966 0.247263 0.334241 B\n0.197675 0.640279 0.811281 B\n0.359721 0.802325 0.688719 B\n0.802325 0.359721 0.188719 B\n0.640279 0.197675 0.311281 B\n0.969633 0.870614 0.810855 B\n0.129386 0.030367 0.689145 B\n0.030367 0.129386 0.189145 B\n0.870614 0.969633 0.310855 B\n0.128915 0.801519 0.901058 B\n0.198481 0.871085 0.598942 B\n0.871085 0.198481 0.098942 B\n0.801519 0.128915 0.401058 B\n0.939800 0.612336 0.797369 B\n0.387664 0.060200 0.702631 B\n0.060200 0.387664 0.202631 B\n0.612336 0.939800 0.297369 B\n0.545855 0.977445 0.893453 H\n0.022555 0.454145 0.606547 H\n0.454145 0.022555 0.106547 H\n0.977445 0.545855 0.393453 H\n0.308203 0.221521 0.892416 H\n0.778479 0.691797 0.607584 H\n0.691797 0.778479 0.107584 H\n0.221521 0.308203 0.392416 H\n0.218310 0.498591 0.853582 H\n0.501409 0.781690 0.646418 H\n0.781690 0.501409 0.146418 H\n0.498591 0.218310 0.353582 H\n0.827273 0.887809 0.857322 H\n0.112191 0.172727 0.642678 H\n0.172727 0.112191 0.142678 H\n0.887809 0.827273 0.357322 H\n0.100793 0.773806 0.007457 H\n0.226194 0.899207 0.492543 H\n0.899207 0.226194 0.992543 H\n0.773806 0.100793 0.507457 H\n0.779255 0.453632 0.832807 H\n0.546368 0.220745 0.667193 H\n0.220745 0.546368 0.167193 H\n0.453632 0.779255 0.332807 H\n",
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},
{
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"structure_string": "Rb12 Na4 V16 H8 O52\n1.0\n8.444915 0.000000 0.000000\n0.000000 11.412265 0.000000\n0.000000 0.000000 16.086183\nRb Na V H O\n12 4 16 8 52\ndirect\n0.250000 0.014774 0.121130 Rb\n0.750000 0.018878 0.196326 Rb\n0.750000 0.026093 0.601684 Rb\n0.250000 0.473907 0.101684 Rb\n0.250000 0.481122 0.696326 Rb\n0.750000 0.485226 0.621130 Rb\n0.250000 0.514774 0.378870 Rb\n0.750000 0.518878 0.303674 Rb\n0.750000 0.526093 0.898316 Rb\n0.250000 0.973907 0.398316 Rb\n0.250000 0.981122 0.803674 Rb\n0.750000 0.985226 0.878870 Rb\n0.250000 0.184101 0.584492 Na\n0.750000 0.315899 0.084492 Na\n0.250000 0.684101 0.915508 Na\n0.750000 0.815899 0.415508 Na\n0.039972 0.214879 0.973466 V\n0.460028 0.214879 0.973466 V\n0.950163 0.242131 0.767742 V\n0.549837 0.242131 0.767742 V\n0.049837 0.257869 0.267742 V\n0.450163 0.257869 0.267742 V\n0.960028 0.285121 0.473466 V\n0.539972 0.285121 0.473466 V\n0.039972 0.714879 0.526534 V\n0.460028 0.714879 0.526534 V\n0.549837 0.742131 0.732258 V\n0.950163 0.742131 0.732258 V\n0.049837 0.757869 0.232258 V\n0.450163 0.757869 0.232258 V\n0.539972 0.785121 0.026534 V\n0.960028 0.785121 0.026534 V\n0.656451 0.066112 0.414666 H\n0.843549 0.066112 0.414666 H\n0.156451 0.433888 0.914666 H\n0.343549 0.433888 0.914666 H\n0.656451 0.566112 0.085334 H\n0.843549 0.566112 0.085334 H\n0.156451 0.933888 0.585334 H\n0.343549 0.933888 0.585334 H\n0.750000 0.024910 0.393282 O\n0.047380 0.111044 0.272266 O\n0.452620 0.111044 0.272266 O\n0.565250 0.128183 0.035799 O\n0.934750 0.128183 0.035799 O\n0.021830 0.145512 0.484904 O\n0.478170 0.145512 0.484904 O\n0.009936 0.169880 0.865644 O\n0.490064 0.169880 0.865644 O\n0.750000 0.190317 0.743547 O\n0.430335 0.195892 0.692512 O\n0.069665 0.195892 0.692512 O\n0.250000 0.203821 0.000993 O\n0.750000 0.296179 0.500993 O\n0.930335 0.304108 0.192512 O\n0.569665 0.304108 0.192512 O\n0.250000 0.309683 0.243547 O\n0.990064 0.330120 0.365644 O\n0.509936 0.330120 0.365644 O\n0.978170 0.354488 0.984904 O\n0.521830 0.354488 0.984904 O\n0.065250 0.371817 0.535799 O\n0.434750 0.371817 0.535799 O\n0.547380 0.388956 0.772266 O\n0.952620 0.388956 0.772266 O\n0.250000 0.475090 0.893282 O\n0.750000 0.524910 0.106718 O\n0.047380 0.611044 0.227734 O\n0.452620 0.611044 0.227734 O\n0.565250 0.628183 0.464201 O\n0.934750 0.628183 0.464201 O\n0.021830 0.645512 0.015096 O\n0.478170 0.645512 0.015096 O\n0.009936 0.669880 0.634356 O\n0.490064 0.669880 0.634356 O\n0.750000 0.690317 0.756453 O\n0.069665 0.695892 0.807488 O\n0.430335 0.695892 0.807488 O\n0.250000 0.703821 0.499007 O\n0.750000 0.796179 0.999007 O\n0.569665 0.804108 0.307488 O\n0.930335 0.804108 0.307488 O\n0.250000 0.809683 0.256453 O\n0.509936 0.830120 0.134356 O\n0.990064 0.830120 0.134356 O\n0.521830 0.854488 0.515096 O\n0.978170 0.854488 0.515096 O\n0.065250 0.871817 0.964201 O\n0.434750 0.871817 0.964201 O\n0.547380 0.888956 0.727734 O\n0.952620 0.888956 0.727734 O\n0.250000 0.975090 0.606718 O\n",
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"density_atomic": 0.05934275326571237,
"volume": 1550.3156651337351,
"volume_molar": 10.148064302030846,
"formula_full": "Rb12 Na4 V16 H8 O52",
"formula_reduced": "Rb3NaV4H2O13",
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"spacegroup": 62
},
{
"id": "mp-569802",
"created_at": "2022-09-04T14:46:09.614807Z",
"structure_string": "Si6 Ir2\n1.0\n2.388818 -4.137554 0.000000\n2.388818 4.137554 0.000000\n0.000000 0.000000 6.422826\nSi Ir\n6 2\ndirect\n0.665435 0.832717 0.581459 Si\n0.334565 0.167283 0.081459 Si\n0.832717 0.665435 0.081459 Si\n0.167283 0.832717 0.581459 Si\n0.832717 0.167283 0.081459 Si\n0.167283 0.334565 0.581459 Si\n0.666667 0.333333 0.754622 Ir\n0.333333 0.666667 0.254622 Ir\n",
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"formula_full": "Si6 Ir2",
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{
"id": "mp-642654",
"created_at": "2022-09-04T14:46:09.619035Z",
"structure_string": "Sr2 H4 O6\n1.0\n3.792734 0.000000 0.000000\n0.000000 5.851274 0.000000\n0.000000 0.000000 6.575454\nSr H O\n2 4 6\ndirect\n0.500000 0.641353 0.745965 Sr\n0.500000 0.358647 0.245965 Sr\n0.711734 0.118266 0.829404 H\n0.288266 0.118266 0.829404 H\n0.288266 0.881734 0.329404 H\n0.711734 0.881734 0.329404 H\n0.500000 0.215899 0.869486 O\n0.500000 0.784101 0.369486 O\n0.000000 0.930025 0.763687 O\n0.000000 0.069975 0.263687 O\n0.000000 0.436250 0.525707 O\n0.000000 0.563750 0.025707 O\n",
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{
"id": "mp-1178052",
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"structure_string": "Li8 Cr4 Fe12 O32\n1.0\n8.452426 -0.007773 -0.005182\n-0.007848 8.425186 0.021484\n-0.005128 0.021298 8.427300\nLi Cr Fe O\n8 4 12 32\ndirect\n0.001681 0.997406 0.999992 Li\n0.248414 0.250360 0.251291 Li\n0.248337 0.751544 0.750447 Li\n0.500563 0.998259 0.499193 Li\n0.501427 0.500196 0.999823 Li\n0.748847 0.250872 0.750491 Li\n0.747964 0.749892 0.252118 Li\n0.001257 0.500881 0.498586 Li\n0.124635 0.872503 0.375942 Cr\n0.373842 0.125570 0.875856 Cr\n0.624275 0.627665 0.623556 Cr\n0.875961 0.375389 0.125357 Cr\n0.126736 0.120916 0.620157 Fe\n0.126494 0.376334 0.875195 Fe\n0.125410 0.628969 0.128170 Fe\n0.375718 0.376611 0.627842 Fe\n0.373820 0.626167 0.376132 Fe\n0.372770 0.874046 0.123670 Fe\n0.627360 0.377309 0.377268 Fe\n0.625190 0.123080 0.126268 Fe\n0.621068 0.873115 0.871527 Fe\n0.877887 0.123899 0.373458 Fe\n0.876301 0.874048 0.622972 Fe\n0.873868 0.624893 0.875502 Fe\n0.116753 0.110923 0.384921 O\n0.113310 0.884643 0.614606 O\n0.115469 0.611915 0.892941 O\n0.156247 0.130418 0.871130 O\n0.094094 0.380083 0.120842 O\n0.135494 0.360302 0.640567 O\n0.135969 0.633469 0.361574 O\n0.134643 0.863595 0.136779 O\n0.368834 0.135457 0.646956 O\n0.367343 0.353948 0.870261 O\n0.365521 0.631690 0.139166 O\n0.387812 0.616236 0.612124 O\n0.364182 0.854865 0.365016 O\n0.387459 0.395602 0.383082 O\n0.383433 0.118131 0.103637 O\n0.381862 0.897214 0.882680 O\n0.617138 0.397895 0.617837 O\n0.614684 0.618213 0.394855 O\n0.613697 0.887322 0.108900 O\n0.656644 0.370228 0.129186 O\n0.594501 0.120455 0.879821 O\n0.635048 0.141445 0.361885 O\n0.633993 0.854612 0.630936 O\n0.632760 0.632285 0.853198 O\n0.867758 0.366476 0.352340 O\n0.866641 0.146667 0.130675 O\n0.861103 0.867365 0.855337 O\n0.884757 0.883996 0.392159 O\n0.861526 0.640008 0.634540 O\n0.885471 0.107910 0.617107 O\n0.884390 0.382736 0.897713 O\n0.881635 0.604112 0.116559 O\n",
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{
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"structure_string": "Cs8 Cr4 O16\n1.0\n6.429725 -0.000169 0.001552\n-0.000220 8.582605 -0.000654\n0.002760 -0.000830 11.452412\nCs Cr O\n8 4 16\ndirect\n0.250167 0.511474 0.695683 Cs\n0.750096 0.988503 0.195603 Cs\n0.750049 0.488721 0.304330 Cs\n0.250151 0.011399 0.804375 Cs\n0.750027 0.670608 0.913502 Cs\n0.250125 0.329441 0.086499 Cs\n0.750057 0.170751 0.586472 Cs\n0.250099 0.829497 0.413581 Cs\n0.750099 0.733537 0.580119 Cr\n0.249781 0.266790 0.419853 Cr\n0.749866 0.233274 0.920016 Cr\n0.250017 0.766267 0.080041 Cr\n0.750000 0.539632 0.584677 O\n0.249861 0.460780 0.415339 O\n0.249974 0.960100 0.084620 O\n0.750005 0.039338 0.915371 O\n0.750115 0.793507 0.440915 O\n0.250127 0.706368 0.940853 O\n0.249821 0.206741 0.559018 O\n0.749991 0.293334 0.059148 O\n0.036983 0.698268 0.146352 O\n0.537083 0.301379 0.853627 O\n0.962809 0.301282 0.853665 O\n0.036826 0.198803 0.353535 O\n0.462623 0.198821 0.353503 O\n0.463018 0.698307 0.146393 O\n0.963028 0.801504 0.646431 O\n0.537198 0.801574 0.646480 O\n",
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{
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{
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