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"results": [
{
"id": "mp-1197686",
"created_at": "2022-09-04T14:41:08.151483Z",
"structure_string": "Ga2 Ge4 H10 C2 N2 O12\n1.0\n6.899920 -0.058619 -2.369394\n-2.648236 6.653602 -3.115177\n0.042459 0.017377 7.806415\nGa Ge H C N O\n2 4 10 2 2 12\ndirect\n0.927593 0.255744 0.193171 Ga\n0.072407 0.744256 0.806829 Ga\n0.720700 0.301016 0.522263 Ge\n0.279300 0.698984 0.477737 Ge\n0.243671 0.019513 0.306304 Ge\n0.756329 0.980487 0.693696 Ge\n0.724112 0.521165 0.029831 H\n0.275888 0.478835 0.970169 H\n0.650286 0.631850 0.234039 H\n0.349714 0.368150 0.765961 H\n0.773474 0.871440 0.134762 H\n0.226526 0.128560 0.865238 H\n0.593362 0.715309 0.885497 H\n0.406638 0.284691 0.114503 H\n0.510294 0.813086 0.063319 H\n0.489706 0.186915 0.936681 H\n0.610064 0.579552 0.069147 C\n0.389936 0.420448 0.930853 C\n0.623112 0.756106 0.036888 N\n0.376888 0.243894 0.963112 N\n0.752156 0.313435 0.314162 O\n0.247844 0.686565 0.685838 O\n0.765283 0.088407 0.533117 O\n0.234717 0.911593 0.466883 O\n0.007931 0.060062 0.238414 O\n0.992069 0.939938 0.761586 O\n0.273268 0.870750 0.085898 O\n0.726732 0.129250 0.914102 O\n0.452176 0.259372 0.465263 O\n0.547824 0.740628 0.534737 O\n0.868707 0.527201 0.759092 O\n0.131293 0.472799 0.240908 O\n",
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"formula_full": "Ga2 Ge4 H10 C2 N2 O12",
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"spacegroup": 2
},
{
"id": "mp-1227953",
"created_at": "2022-09-04T14:41:00.200669Z",
"structure_string": "Ba1 Na2 Sr6 Al6 O2 F32\n1.0\n5.579797 8.213737 0.000000\n-5.579797 8.213737 0.000000\n0.000000 1.464379 7.200575\nBa Na Sr Al O F\n1 2 6 6 2 32\ndirect\n0.737801 0.737801 0.132383 Ba\n0.500047 0.500047 0.500733 Na\n0.499623 0.499623 0.998304 Na\n0.151521 0.552253 0.304026 Sr\n0.552253 0.151521 0.304026 Sr\n0.850789 0.446421 0.695146 Sr\n0.446421 0.850789 0.695146 Sr\n0.000460 0.000460 0.998493 Sr\n0.259775 0.259775 0.885547 Sr\n0.165157 0.165157 0.457895 Al\n0.835840 0.835840 0.544102 Al\n0.867140 0.348866 0.202710 Al\n0.348866 0.867140 0.202710 Al\n0.136882 0.646478 0.796167 Al\n0.646478 0.136882 0.796167 Al\n0.414780 0.414780 0.282010 O\n0.586168 0.586168 0.715844 O\n0.997991 0.258804 0.007467 F\n0.258804 0.997991 0.007467 F\n0.011384 0.738665 0.991508 F\n0.738665 0.011384 0.991508 F\n0.096522 0.096522 0.683125 F\n0.902818 0.902818 0.316709 F\n0.986566 0.220053 0.373368 F\n0.220053 0.986566 0.373368 F\n0.014473 0.778615 0.628840 F\n0.778615 0.014473 0.628840 F\n0.744486 0.446766 0.389575 F\n0.446766 0.744486 0.389575 F\n0.257141 0.552319 0.606517 F\n0.552319 0.257141 0.606517 F\n0.240289 0.240289 0.237594 F\n0.759012 0.759012 0.758251 F\n0.750189 0.477565 0.031705 F\n0.477565 0.750189 0.031705 F\n0.253096 0.511656 0.965187 F\n0.511656 0.253096 0.965187 F\n0.965761 0.472343 0.190849 F\n0.472343 0.965761 0.190849 F\n0.039339 0.521553 0.811093 F\n0.521553 0.039339 0.811093 F\n0.772624 0.230251 0.788154 F\n0.230251 0.772624 0.788154 F\n0.221739 0.775532 0.209695 F\n0.775532 0.221739 0.209695 F\n0.113040 0.341886 0.546407 F\n0.341886 0.113040 0.546407 F\n0.890265 0.657256 0.456091 F\n0.657256 0.890265 0.456091 F\n",
"nsites": 49,
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"elements": [
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"Sr",
"Al",
"O",
"F"
],
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"density": 3.801175778427905,
"density_atomic": 0.07424029932073536,
"volume": 660.0188906608337,
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"formula_full": "Ba1 Na2 Sr6 Al6 O2 F32",
"formula_reduced": "BaNa2Sr6Al6(OF16)2",
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"energy": -295.13609407,
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"spacegroup": 8
},
{
"id": "mp-690769",
"created_at": "2022-09-04T14:41:01.973726Z",
"structure_string": "Cu1 P2 H12 N2 O8 F2\n1.0\n2.648169 6.759470 0.000000\n-2.648169 6.759470 0.000000\n0.000000 2.635272 7.018997\nCu P H N O F\n1 2 12 2 8 2\ndirect\n0.000000 0.000000 0.000000 Cu\n0.623790 0.623790 0.783771 P\n0.376210 0.376210 0.216229 P\n0.867673 0.168717 0.654109 H\n0.168717 0.867673 0.654109 H\n0.132327 0.831283 0.345891 H\n0.831283 0.132327 0.345891 H\n0.185019 0.498622 0.821173 H\n0.498622 0.185019 0.821173 H\n0.814981 0.501378 0.178827 H\n0.501378 0.814981 0.178827 H\n0.373302 0.373302 0.611513 H\n0.626698 0.626698 0.388487 H\n0.246455 0.246455 0.769362 H\n0.753545 0.753545 0.230638 H\n0.325364 0.325364 0.755758 N\n0.674636 0.674636 0.244242 N\n0.562003 0.562003 0.648349 O\n0.437997 0.437997 0.351651 O\n0.375283 0.857181 0.900638 O\n0.857181 0.375283 0.900638 O\n0.624717 0.142819 0.099362 O\n0.142819 0.624717 0.099362 O\n0.975339 0.975339 0.707840 O\n0.024661 0.024661 0.292160 O\n0.746518 0.746518 0.644311 F\n0.253482 0.253482 0.355689 F\n",
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"elements": [
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],
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"density": 2.1912535970092346,
"density_atomic": 0.10744850308109219,
"volume": 251.2831656633029,
"volume_molar": 5.604676274973365,
"formula_full": "Cu1 P2 H12 N2 O8 F2",
"formula_reduced": "CuP2H12N2(O4F)2",
"formula_anonymous": "AB2C2D2E8F12",
"energy": -155.89122129,
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"updated_at": "2021-11-28T01:35:10.786000Z",
"spacegroup": 12
},
{
"id": "mp-776523",
"created_at": "2022-09-04T14:41:03.725608Z",
"structure_string": "Na1 Li3 Ti2 Al2 P6 O24\n1.0\n8.554186 0.000000 0.000000\n4.274690 7.421714 0.000000\n4.271907 2.394259 7.059864\nNa Li Ti Al P O\n1 3 2 2 6 24\ndirect\n0.002012 0.978642 0.000773 Na\n0.745804 0.362002 0.740193 Li\n0.354757 0.143917 0.748544 Li\n0.484198 0.526893 0.489486 Li\n0.641429 0.640848 0.078132 Ti\n0.860795 0.858229 0.422822 Ti\n0.144208 0.145451 0.561892 Al\n0.351293 0.354868 0.937178 Al\n0.457230 0.748770 0.748904 P\n0.962102 0.528123 0.257979 P\n0.749830 0.042014 0.751542 P\n0.251440 0.968148 0.245826 P\n0.045106 0.459391 0.747935 P\n0.532358 0.251423 0.251285 P\n0.276615 0.927451 0.737766 O\n0.635279 0.781063 0.574696 O\n0.942429 0.719509 0.255723 O\n0.442317 0.572157 0.755833 O\n0.128665 0.487840 0.081244 O\n0.506118 0.297728 0.066791 O\n0.982449 0.373181 0.445626 O\n0.769208 0.554118 0.256327 O\n0.913855 0.080223 0.740320 O\n0.575560 0.230506 0.755435 O\n0.305327 0.122106 0.055397 O\n0.202847 0.011613 0.418670 O\n0.785136 0.006027 0.576296 O\n0.713005 0.871157 0.929411 O\n0.418539 0.773343 0.253717 O\n0.080861 0.942720 0.251372 O\n0.238869 0.421597 0.754807 O\n0.013419 0.631381 0.572540 O\n0.490834 0.712790 0.927016 O\n0.871097 0.494198 0.925722 O\n0.555059 0.421154 0.250889 O\n0.062413 0.272006 0.742916 O\n0.366756 0.207468 0.433572 O\n0.721778 0.079951 0.255424 O\n",
"nsites": 38,
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"elements": [
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],
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"formula_full": "Na1 Li3 Ti2 Al2 P6 O24",
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"updated_at": "2021-11-28T01:35:12.692000Z",
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},
{
"id": "mp-708184",
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"structure_string": "H40 C20 S8 N8 O16 F24\n1.0\n14.485472 0.000000 0.000000\n0.000000 7.740265 0.000000\n0.000000 3.622703 12.207124\nH C S N O F\n40 20 8 8 16 24\ndirect\n0.817955 0.896071 0.415921 H\n0.317955 0.103929 0.084079 H\n0.182045 0.103929 0.584079 H\n0.682045 0.896071 0.915921 H\n0.781866 0.630226 0.368904 H\n0.281866 0.369774 0.131096 H\n0.218134 0.369774 0.631096 H\n0.718134 0.630226 0.868904 H\n0.690882 0.693119 0.446929 H\n0.190882 0.306881 0.053071 H\n0.309118 0.306881 0.553071 H\n0.809118 0.693119 0.946929 H\n0.768265 0.511197 0.511964 H\n0.268265 0.488803 0.988036 H\n0.231735 0.488803 0.488036 H\n0.731735 0.511197 0.011964 H\n0.725845 0.854447 0.576631 H\n0.225845 0.145553 0.923369 H\n0.274155 0.145553 0.423369 H\n0.774155 0.854447 0.076631 H\n0.842849 0.919004 0.594101 H\n0.342849 0.080996 0.905899 H\n0.157151 0.080996 0.405899 H\n0.657151 0.919004 0.094101 H\n0.806821 0.687437 0.650002 H\n0.306821 0.312563 0.849998 H\n0.193179 0.312563 0.349998 H\n0.693179 0.687437 0.150002 H\n0.931346 0.589847 0.543677 H\n0.431346 0.410153 0.956323 H\n0.068654 0.410153 0.456323 H\n0.568654 0.589847 0.043677 H\n0.938457 0.698540 0.398510 H\n0.438457 0.301460 0.101490 H\n0.061543 0.301460 0.601490 H\n0.561543 0.698540 0.898510 H\n0.967269 0.821248 0.494969 H\n0.467269 0.178752 0.005031 H\n0.032731 0.178752 0.505031 H\n0.532731 0.821248 0.994969 H\n0.635359 0.253664 0.362360 C\n0.135359 0.746336 0.137640 C\n0.364641 0.746336 0.637640 C\n0.864641 0.253664 0.862360 C\n0.951415 0.227776 0.180208 C\n0.451415 0.772224 0.319792 C\n0.048585 0.772224 0.819792 C\n0.548585 0.227776 0.680208 C\n0.798191 0.811593 0.582692 C\n0.298191 0.188407 0.917308 C\n0.201809 0.188407 0.417308 C\n0.701809 0.811593 0.082692 C\n0.761466 0.641683 0.449511 C\n0.261466 0.358317 0.050489 C\n0.238534 0.358317 0.550489 C\n0.738534 0.641683 0.949511 C\n0.922967 0.717114 0.478761 C\n0.422967 0.282886 0.021239 C\n0.077033 0.282886 0.521239 C\n0.577033 0.717114 0.978761 C\n0.699730 0.202671 0.246739 S\n0.199730 0.797329 0.253261 S\n0.300270 0.797329 0.753261 S\n0.800270 0.202671 0.746739 S\n0.882187 0.300693 0.284557 S\n0.382187 0.699307 0.215443 S\n0.117813 0.699307 0.715443 S\n0.617813 0.300693 0.784557 S\n0.824462 0.775092 0.477521 N\n0.324462 0.224908 0.022479 N\n0.175538 0.224908 0.522479 N\n0.675538 0.775092 0.977521 N\n0.783293 0.342248 0.227868 N\n0.283293 0.657752 0.272132 N\n0.216707 0.657752 0.772132 N\n0.716707 0.342248 0.727868 N\n0.724181 0.013340 0.288655 O\n0.224181 0.986660 0.211345 O\n0.275819 0.986660 0.711345 O\n0.775819 0.013340 0.788655 O\n0.637850 0.255318 0.154331 O\n0.137850 0.744682 0.345669 O\n0.362150 0.744682 0.845669 O\n0.862150 0.255318 0.654331 O\n0.887209 0.146308 0.381576 O\n0.387209 0.853692 0.118424 O\n0.112791 0.853692 0.618424 O\n0.612791 0.146308 0.881576 O\n0.923979 0.467080 0.289244 O\n0.423979 0.532920 0.210756 O\n0.076021 0.532920 0.710756 O\n0.576021 0.467080 0.789244 O\n0.689691 0.215655 0.453065 F\n0.189691 0.784345 0.046935 F\n0.310309 0.784345 0.546935 F\n0.810309 0.215655 0.953065 F\n0.611658 0.429659 0.336376 F\n0.111658 0.570341 0.163624 F\n0.388342 0.570341 0.663624 F\n0.888342 0.429659 0.836376 F\n0.558037 0.152514 0.386103 F\n0.058037 0.847486 0.113897 F\n0.441963 0.847486 0.613897 F\n0.941963 0.152514 0.886103 F\n0.914711 0.076387 0.164019 F\n0.414711 0.923613 0.335981 F\n0.085289 0.923613 0.835981 F\n0.585289 0.076387 0.664019 F\n0.039279 0.191684 0.216372 F\n0.539279 0.808316 0.283628 F\n0.960721 0.808316 0.783628 F\n0.460721 0.191684 0.716372 F\n0.953624 0.357538 0.083352 F\n0.453624 0.642462 0.416648 F\n0.046376 0.642462 0.916648 F\n0.546376 0.357538 0.583352 F\n",
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{
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{
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}