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{
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"results": [
{
"id": "mp-696485",
"created_at": "2022-09-04T14:40:12.510531Z",
"structure_string": "Na8 Te4 H4 S4 O20 F12\n1.0\n7.571620 0.000000 0.000000\n0.000000 8.375599 0.000000\n0.000000 0.061140 10.909259\nNa Te H S O F\n8 4 4 4 20 12\ndirect\n0.500255 0.443924 0.758915 Na\n0.000255 0.556076 0.741085 Na\n0.499745 0.556076 0.241085 Na\n0.999745 0.443924 0.258915 Na\n0.231911 0.253222 0.528296 Na\n0.731911 0.746778 0.971704 Na\n0.768089 0.746778 0.471704 Na\n0.268089 0.253222 0.028296 Na\n0.464873 0.915671 0.714588 Te\n0.964873 0.084329 0.785412 Te\n0.535127 0.084329 0.285412 Te\n0.035127 0.915671 0.214588 Te\n0.146928 0.930265 0.934338 H\n0.646928 0.069735 0.565662 H\n0.853072 0.069735 0.065662 H\n0.353072 0.930265 0.434338 H\n0.237681 0.641899 0.512320 S\n0.737681 0.358101 0.987680 S\n0.762319 0.358101 0.487680 S\n0.262319 0.641899 0.012320 S\n0.159853 0.039831 0.893181 O\n0.659853 0.960169 0.606819 O\n0.840147 0.960169 0.106819 O\n0.340147 0.039831 0.393181 O\n0.056305 0.693190 0.542218 O\n0.556305 0.306810 0.957782 O\n0.943695 0.306810 0.457782 O\n0.443695 0.693190 0.042218 O\n0.365150 0.785108 0.529333 O\n0.865150 0.214892 0.970667 O\n0.634850 0.214892 0.470667 O\n0.134850 0.785108 0.029333 O\n0.294624 0.514344 0.598258 O\n0.794624 0.485656 0.901742 O\n0.705376 0.485656 0.401742 O\n0.205376 0.514344 0.098258 O\n0.246545 0.592838 0.882858 O\n0.746545 0.407162 0.617142 O\n0.753455 0.407162 0.117142 O\n0.253455 0.592838 0.382858 O\n0.101894 0.026945 0.639424 F\n0.601894 0.973055 0.860576 F\n0.898106 0.973055 0.360576 F\n0.398106 0.026945 0.139424 F\n0.095275 0.289692 0.763894 F\n0.595275 0.710308 0.736106 F\n0.904725 0.710308 0.236106 F\n0.404725 0.289692 0.263894 F\n0.427834 0.157191 0.694739 F\n0.927834 0.842809 0.805261 F\n0.572166 0.842809 0.305261 F\n0.072166 0.157191 0.194739 F\n",
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"Na",
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"H",
"S",
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"F"
],
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"formula_full": "Na8 Te4 H4 S4 O20 F12",
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"energy": -286.7072372,
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"updated_at": "2021-11-28T01:34:52.375000Z",
"spacegroup": 14
},
{
"id": "mp-744242",
"created_at": "2022-09-04T14:40:41.713749Z",
"structure_string": "Na4 Te1 Mo6 H40 N2 O40\n1.0\n10.909481 0.000000 0.000000\n-5.264541 10.132780 0.000000\n-3.713103 -4.018255 10.099397\nNa Te Mo H N O\n4 1 6 40 2 40\ndirect\n0.379431 0.547041 0.883544 Na\n0.620569 0.452959 0.116456 Na\n0.657556 0.096406 0.345360 Na\n0.342444 0.903594 0.654640 Na\n0.000000 0.000000 0.000000 Te\n0.285728 0.281414 0.450022 Mo\n0.714272 0.718586 0.549978 Mo\n0.891019 0.091013 0.719210 Mo\n0.108981 0.908987 0.280790 Mo\n0.091868 0.368980 0.055908 Mo\n0.908132 0.631020 0.944092 Mo\n0.335405 0.655822 0.369717 H\n0.664595 0.344178 0.630283 H\n0.157888 0.668836 0.552292 H\n0.842112 0.331164 0.447708 H\n0.603395 0.103702 0.599752 H\n0.396605 0.896298 0.400248 H\n0.196848 0.547549 0.117133 H\n0.803152 0.452451 0.882867 H\n0.264531 0.266074 0.954221 H\n0.735469 0.733926 0.045779 H\n0.351599 0.240572 0.783898 H\n0.648401 0.759428 0.216102 H\n0.196768 0.417439 0.352869 H\n0.803232 0.582561 0.647131 H\n0.584122 0.635365 0.686876 H\n0.415878 0.364635 0.313124 H\n0.418435 0.909665 0.940258 H\n0.581565 0.090335 0.059742 H\n0.084461 0.562590 0.855728 H\n0.915539 0.437410 0.144272 H\n0.774580 0.046989 0.056801 H\n0.225420 0.953011 0.943199 H\n0.283693 0.623495 0.674023 H\n0.716307 0.376505 0.325977 H\n0.395513 0.669620 0.595205 H\n0.604487 0.330380 0.404795 H\n0.727227 0.987209 0.864586 H\n0.272773 0.012791 0.135414 H\n0.889888 0.549476 0.353174 H\n0.110112 0.450524 0.646826 H\n0.040267 0.643582 0.606175 H\n0.959733 0.356418 0.393825 H\n0.132842 0.023285 0.647648 H\n0.867158 0.976715 0.352352 H\n0.916383 0.079863 0.197445 H\n0.083617 0.920137 0.802555 H\n0.781859 0.198882 0.843633 H\n0.218141 0.801118 0.156367 H\n0.853877 0.633693 0.135503 H\n0.146123 0.366307 0.864497 H\n0.563067 0.653461 0.599300 N\n0.436933 0.346539 0.400700 N\n0.118994 0.086929 0.335654 O\n0.881006 0.913071 0.664346 O\n0.219815 0.393742 0.209709 O\n0.780185 0.606258 0.790291 O\n0.195854 0.388435 0.430219 O\n0.804146 0.611565 0.569781 O\n0.373294 0.299111 0.613699 O\n0.626706 0.700889 0.386301 O\n0.792439 0.966121 0.833096 O\n0.207561 0.033879 0.166904 O\n0.891203 0.086917 0.109700 O\n0.108797 0.913083 0.890300 O\n0.105009 0.194780 0.975936 O\n0.894991 0.805220 0.024064 O\n0.883133 0.234014 0.844899 O\n0.116867 0.765986 0.155101 O\n0.074259 0.210632 0.736922 O\n0.925741 0.789368 0.263078 O\n0.774841 0.074343 0.567040 O\n0.225159 0.925657 0.432960 O\n0.945163 0.387883 0.089706 O\n0.054837 0.612117 0.910294 O\n0.190525 0.446273 0.947497 O\n0.809475 0.553727 0.052503 O\n0.367414 0.324673 0.951987 O\n0.632586 0.675327 0.048013 O\n0.628149 0.781551 0.134890 O\n0.371851 0.218449 0.865110 O\n0.814791 0.465268 0.272372 O\n0.185209 0.534732 0.727628 O\n0.081026 0.693249 0.552753 O\n0.918974 0.306751 0.447247 O\n0.475338 0.902969 0.884849 O\n0.524662 0.097031 0.115151 O\n0.664743 0.306072 0.370750 O\n0.335257 0.693928 0.629250 O\n0.375750 0.966397 0.043254 O\n0.624250 0.033603 0.956746 O\n0.458530 0.975128 0.379001 O\n0.541470 0.024872 0.620999 O\n",
"nsites": 93,
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"elements": [
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"Te",
"Mo",
"H",
"N",
"O"
],
"chemical_system": "H-Mo-N-Na-O-Te",
"density": 2.2362797811607154,
"density_atomic": 0.08330187953578833,
"volume": 1116.421388307873,
"volume_molar": 7.229297578349064,
"formula_full": "Na4 Te1 Mo6 H40 N2 O40",
"formula_reduced": "Na4TeMo6H40(NO20)2",
"formula_anonymous": "AB2C4D6E40F40",
"energy": -514.86652726,
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"updated_at": "2021-11-28T01:35:03.412000Z",
"spacegroup": 2
},
{
"id": "mp-1182759",
"created_at": "2022-09-04T14:44:58.757232Z",
"structure_string": "Na4 Te1 Mo6 H40 N2 O40\n1.0\n10.972436 0.000000 0.000000\n-1.283591 10.911411 0.000000\n-4.284616 -5.854131 8.321459\nNa Te Mo H N O\n4 1 6 40 2 40\ndirect\n0.870795 0.539003 0.373988 Na\n0.129205 0.460997 0.626012 Na\n0.284675 0.652204 0.251910 Na\n0.715325 0.347796 0.748090 Na\n0.000000 0.000000 0.000000 Te\n0.334861 0.134460 0.093943 Mo\n0.665139 0.865540 0.906057 Mo\n0.732510 0.825844 0.621292 Mo\n0.267490 0.174156 0.378708 Mo\n0.069072 0.959744 0.718191 Mo\n0.930928 0.040256 0.281809 Mo\n0.473185 0.035317 0.772229 H\n0.526815 0.964683 0.227771 H\n0.478228 0.198732 0.780821 H\n0.521772 0.801268 0.219179 H\n0.594344 0.969939 0.396626 H\n0.405656 0.030061 0.603374 H\n0.322484 0.071391 0.708223 H\n0.677516 0.928609 0.291777 H\n0.954453 0.645851 0.695581 H\n0.045547 0.354149 0.304419 H\n0.841647 0.486659 0.598214 H\n0.158353 0.513341 0.401786 H\n0.611157 0.280280 0.128680 H\n0.388843 0.719720 0.871320 H\n0.725549 0.206086 0.151441 H\n0.274451 0.793914 0.848559 H\n0.847562 0.581627 0.109264 H\n0.152438 0.418373 0.890736 H\n0.803768 0.697830 0.214384 H\n0.196232 0.302170 0.785616 H\n0.109638 0.316006 0.019776 H\n0.890362 0.683994 0.980224 H\n0.999183 0.391367 0.012675 H\n0.000817 0.608633 0.987325 H\n0.763736 0.300170 0.011708 H\n0.236264 0.699830 0.988292 H\n0.805541 0.180265 0.906579 H\n0.194459 0.819735 0.093421 H\n0.485895 0.432058 0.799362 H\n0.514105 0.567942 0.200638 H\n0.618181 0.474413 0.960429 H\n0.381819 0.525587 0.039571 H\n0.661942 0.545258 0.632520 H\n0.338058 0.454742 0.367480 H\n0.575962 0.379572 0.481780 H\n0.424038 0.620428 0.518220 H\n0.840882 0.120098 0.637325 H\n0.159118 0.879902 0.362675 H\n0.865668 0.212405 0.571602 H\n0.134332 0.787595 0.428398 H\n0.421331 0.084401 0.717390 N\n0.578669 0.915599 0.282610 N\n0.341994 0.273177 0.298612 O\n0.658006 0.726823 0.701388 O\n0.238667 0.959113 0.869542 O\n0.761333 0.040887 0.130458 O\n0.418170 0.271496 0.082847 O\n0.581830 0.728504 0.917153 O\n0.466494 0.072002 0.165666 O\n0.533506 0.927998 0.834334 O\n0.818569 0.010452 0.884886 O\n0.181431 0.989548 0.115114 O\n0.111791 0.131563 0.976061 O\n0.888209 0.868437 0.023939 O\n0.955852 0.838046 0.786582 O\n0.044148 0.161954 0.213418 O\n0.881102 0.972654 0.648015 O\n0.118898 0.027346 0.351985 O\n0.710038 0.661921 0.453527 O\n0.289962 0.338079 0.546473 O\n0.593089 0.880019 0.549345 O\n0.406911 0.119981 0.450655 O\n0.155054 0.104639 0.717523 O\n0.844946 0.895361 0.282477 O\n0.037274 0.792550 0.546542 O\n0.962726 0.207450 0.453458 O\n0.933856 0.539207 0.618358 O\n0.066144 0.460793 0.381642 O\n0.710158 0.294377 0.154243 O\n0.289842 0.705623 0.845757 O\n0.210683 0.409462 0.839756 O\n0.789317 0.590538 0.160244 O\n0.902681 0.591170 0.966902 O\n0.097319 0.408830 0.033098 O\n0.795532 0.277169 0.933271 O\n0.204468 0.722831 0.066729 O\n0.449371 0.607452 0.154686 O\n0.550629 0.392548 0.845314 O\n0.663848 0.443028 0.587222 O\n0.336152 0.556972 0.412778 O\n0.192751 0.811078 0.388552 O\n0.807249 0.188922 0.611448 O\n",
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"elements": [
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],
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"density": 2.5059409700839494,
"density_atomic": 0.09334681401330769,
"volume": 996.2846721982579,
"volume_molar": 6.451361863449858,
"formula_full": "Na4 Te1 Mo6 H40 N2 O40",
"formula_reduced": "Na4TeMo6H40(NO20)2",
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"energy": -560.12979119,
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"updated_at": "2021-11-28T01:36:46.528000Z",
"spacegroup": 2
},
{
"id": "mp-1210891",
"created_at": "2022-09-04T14:42:11.224997Z",
"structure_string": "Na12 Ti8 Mn12 Si16 O64 F8\n1.0\n0.000000 9.793867 0.000000\n9.664066 0.000000 -4.721552\n-9.585041 0.000000 -10.104201\nNa Ti Mn Si O F\n12 8 12 16 64 8\ndirect\n0.607733 0.201057 0.989872 Na\n0.392267 0.798943 0.010128 Na\n0.107733 0.298943 0.510128 Na\n0.892267 0.701057 0.489872 Na\n0.380788 0.426493 0.919365 Na\n0.619212 0.573507 0.080635 Na\n0.880788 0.073507 0.580635 Na\n0.119212 0.926493 0.419365 Na\n0.124677 0.923594 0.920841 Na\n0.875323 0.076406 0.079159 Na\n0.624677 0.576406 0.579159 Na\n0.375323 0.423594 0.420841 Na\n0.401682 0.779185 0.752151 Ti\n0.598318 0.220815 0.247849 Ti\n0.901682 0.720815 0.747849 Ti\n0.098318 0.279185 0.252151 Ti\n0.105946 0.283672 0.767704 Ti\n0.894054 0.716328 0.232296 Ti\n0.605946 0.216328 0.732296 Ti\n0.394054 0.783672 0.267704 Ti\n0.386459 0.803391 0.513354 Mn\n0.613541 0.196609 0.486646 Mn\n0.886459 0.696609 0.986646 Mn\n0.113541 0.303391 0.013354 Mn\n0.372329 0.435634 0.679546 Mn\n0.627671 0.564366 0.320454 Mn\n0.872329 0.064366 0.820454 Mn\n0.127671 0.935634 0.179546 Mn\n0.134054 0.935707 0.680090 Mn\n0.865946 0.064293 0.319910 Mn\n0.634054 0.564293 0.819910 Mn\n0.365946 0.435707 0.180090 Mn\n0.341724 0.117612 0.856092 Si\n0.658276 0.882388 0.143908 Si\n0.841724 0.382388 0.643908 Si\n0.158276 0.617612 0.356092 Si\n0.668709 0.878143 0.642830 Si\n0.331291 0.121857 0.357170 Si\n0.168709 0.621857 0.857170 Si\n0.831291 0.378143 0.142830 Si\n0.165510 0.614256 0.585106 Si\n0.834490 0.385744 0.414894 Si\n0.665510 0.885744 0.914894 Si\n0.334490 0.114256 0.085106 Si\n0.336162 0.121155 0.585692 Si\n0.663838 0.878845 0.414308 Si\n0.836162 0.378845 0.914308 Si\n0.163838 0.621155 0.085692 Si\n0.519872 0.381817 0.275888 O\n0.480128 0.618183 0.724112 O\n0.019872 0.118183 0.224112 O\n0.980128 0.881817 0.775888 O\n0.221081 0.474841 0.799177 O\n0.778919 0.525159 0.200823 O\n0.721081 0.025159 0.700823 O\n0.278919 0.974841 0.299177 O\n0.028725 0.122067 0.736889 O\n0.971275 0.877933 0.263111 O\n0.528725 0.377933 0.763111 O\n0.471275 0.622067 0.236889 O\n0.506330 0.844529 0.650867 O\n0.493670 0.155471 0.349133 O\n0.006330 0.655471 0.849133 O\n0.993670 0.344529 0.150867 O\n0.235997 0.241671 0.872435 O\n0.764003 0.758329 0.127565 O\n0.735997 0.258329 0.627565 O\n0.264003 0.741671 0.372435 O\n0.746293 0.019434 0.921513 O\n0.253707 0.980566 0.078487 O\n0.246293 0.480566 0.578487 O\n0.753707 0.519434 0.421513 O\n0.759598 0.762974 0.667598 O\n0.240402 0.237026 0.332402 O\n0.259598 0.737026 0.832402 O\n0.740402 0.262974 0.167598 O\n0.272684 0.978028 0.577799 O\n0.727316 0.021972 0.422201 O\n0.772684 0.521972 0.922201 O\n0.227316 0.478028 0.077799 O\n0.378112 0.112345 0.970343 O\n0.621888 0.887655 0.029657 O\n0.878112 0.387655 0.529657 O\n0.121888 0.612345 0.470343 O\n0.487046 0.153292 0.813215 O\n0.512954 0.846708 0.186785 O\n0.987046 0.346708 0.686785 O\n0.012954 0.653292 0.313215 O\n0.197533 0.651604 0.979386 O\n0.802467 0.348396 0.020614 O\n0.697533 0.848396 0.520614 O\n0.302467 0.151604 0.479386 O\n0.002222 0.367357 0.896698 O\n0.997778 0.632643 0.103302 O\n0.502222 0.132643 0.603302 O\n0.497778 0.867357 0.396698 O\n0.277464 0.976412 0.791142 O\n0.722536 0.023588 0.208858 O\n0.777464 0.523588 0.708858 O\n0.222536 0.476412 0.291142 O\n0.259532 0.746311 0.632155 O\n0.740468 0.253689 0.367845 O\n0.759532 0.753689 0.867845 O\n0.240468 0.246311 0.132155 O\n0.519299 0.866700 0.855107 O\n0.480701 0.133300 0.144893 O\n0.019299 0.633300 0.644893 O\n0.980701 0.366700 0.355107 O\n0.258694 0.241986 0.669061 O\n0.741306 0.758014 0.330939 O\n0.758694 0.258014 0.830939 O\n0.241306 0.741986 0.169061 O\n0.014638 0.121857 0.956673 F\n0.985362 0.878143 0.043327 F\n0.514638 0.378143 0.543327 F\n0.485362 0.621857 0.456673 F\n0.007989 0.890404 0.558248 F\n0.992011 0.109596 0.441752 F\n0.507989 0.609596 0.941752 F\n0.492011 0.390404 0.058248 F\n",
"nsites": 120,
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"elements": [
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"Si",
"O",
"F"
],
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"density": 3.492191220393179,
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"volume": 1399.5821316475967,
"volume_molar": 7.023733834968898,
"formula_full": "Na12 Ti8 Mn12 Si16 O64 F8",
"formula_reduced": "Na3Ti2Mn3Si4(O8F)2",
"formula_anonymous": "A2B2C3D3E4F16",
"energy": -961.6489022600002,
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