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{
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"elements": [
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"formula_full": "U8 H72 C16 Se12 N8 O68",
"formula_reduced": "U2H18C4Se3N2O17",
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"updated_at": "2021-11-28T01:35:10.655000Z",
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{
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"created_at": "2022-09-04T14:48:03.469945Z",
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"formula_full": "K16 V16 P32 O120",
"formula_reduced": "K2V2P4O15",
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{
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"created_at": "2022-09-04T14:47:41.987723Z",
"structure_string": "Sr32 Mn16 Bi32 O104\n1.0\n0.000000 -5.532395 0.000000\n-22.224361 0.000000 0.000000\n0.000000 0.000000 -23.774908\nSr Mn Bi O\n32 16 32 104\ndirect\n0.754255 0.383276 0.681102 Sr\n0.254255 0.616724 0.318898 Sr\n0.254255 0.116724 0.181102 Sr\n0.754255 0.883276 0.818898 Sr\n0.247640 0.262656 0.667281 Sr\n0.747640 0.737344 0.332719 Sr\n0.747640 0.237344 0.167281 Sr\n0.247640 0.762656 0.832719 Sr\n0.747042 0.130926 0.648966 Sr\n0.247042 0.869074 0.351034 Sr\n0.247042 0.369074 0.148966 Sr\n0.747042 0.630926 0.851034 Sr\n0.244824 0.990156 0.646839 Sr\n0.744824 0.009844 0.353161 Sr\n0.744824 0.509844 0.146839 Sr\n0.244824 0.490156 0.853161 Sr\n0.749404 0.861505 0.666621 Sr\n0.249404 0.138495 0.333379 Sr\n0.249404 0.638495 0.166621 Sr\n0.749404 0.361505 0.833379 Sr\n0.253416 0.739042 0.680704 Sr\n0.753416 0.260958 0.319296 Sr\n0.753416 0.760958 0.180704 Sr\n0.253416 0.239042 0.819296 Sr\n0.751603 0.619296 0.691470 Sr\n0.251603 0.380704 0.308530 Sr\n0.251603 0.880704 0.191470 Sr\n0.751603 0.119296 0.808530 Sr\n0.251882 0.502139 0.691989 Sr\n0.751882 0.497861 0.308011 Sr\n0.751882 0.997861 0.191989 Sr\n0.251882 0.002139 0.808011 Sr\n0.251269 0.373513 0.761822 Mn\n0.751269 0.626487 0.238178 Mn\n0.751269 0.126487 0.261822 Mn\n0.251269 0.873513 0.738178 Mn\n0.749621 0.248973 0.741579 Mn\n0.249621 0.751027 0.258421 Mn\n0.249621 0.251027 0.241579 Mn\n0.749621 0.748973 0.758421 Mn\n0.248517 0.124834 0.724778 Mn\n0.748517 0.875166 0.275222 Mn\n0.748517 0.375166 0.224778 Mn\n0.248517 0.624834 0.775222 Mn\n0.748208 0.997178 0.723387 Mn\n0.248208 0.002822 0.276613 Mn\n0.248208 0.502822 0.223387 Mn\n0.748208 0.497178 0.776613 Mn\n0.276551 0.391527 0.566280 Bi\n0.776551 0.608473 0.433720 Bi\n0.776551 0.108473 0.066280 Bi\n0.276551 0.891527 0.933720 Bi\n0.728384 0.272325 0.557473 Bi\n0.228384 0.727675 0.442527 Bi\n0.228384 0.227675 0.057473 Bi\n0.728384 0.772325 0.942527 Bi\n0.259893 0.128705 0.553898 Bi\n0.759893 0.871295 0.446102 Bi\n0.759893 0.371295 0.053898 Bi\n0.259893 0.628705 0.946102 Bi\n0.753840 0.997795 0.551523 Bi\n0.253840 0.002204 0.448477 Bi\n0.253840 0.502205 0.051523 Bi\n0.753840 0.497796 0.948477 Bi\n0.231461 0.850614 0.556260 Bi\n0.731461 0.149386 0.443740 Bi\n0.731461 0.649386 0.056260 Bi\n0.231461 0.350614 0.943740 Bi\n0.774528 0.731125 0.567819 Bi\n0.274528 0.268875 0.432181 Bi\n0.274528 0.768875 0.067819 Bi\n0.774528 0.231125 0.932181 Bi\n0.231359 0.616621 0.574382 Bi\n0.731359 0.383379 0.425618 Bi\n0.731359 0.883379 0.074382 Bi\n0.231359 0.116621 0.925618 Bi\n0.730228 0.503859 0.573677 Bi\n0.230228 0.496141 0.426323 Bi\n0.230228 0.996141 0.073677 Bi\n0.730228 0.003859 0.926323 Bi\n0.661134 0.400631 0.572246 O\n0.161134 0.599369 0.427754 O\n0.161134 0.099369 0.072246 O\n0.661134 0.900631 0.927754 O\n0.344449 0.292898 0.560152 O\n0.844449 0.707102 0.439848 O\n0.844449 0.207102 0.060152 O\n0.344449 0.792898 0.939848 O\n0.660553 0.179145 0.548660 O\n0.160553 0.820855 0.451340 O\n0.160553 0.320855 0.048660 O\n0.660553 0.679145 0.951340 O\n0.989575 0.062828 0.582944 O\n0.489575 0.937172 0.417056 O\n0.489575 0.437172 0.082944 O\n0.989575 0.562828 0.917056 O\n0.487263 0.060594 0.584831 O\n0.987263 0.939406 0.415169 O\n0.987263 0.439406 0.084831 O\n0.487263 0.560594 0.915169 O\n0.163939 0.942926 0.546061 O\n0.663939 0.057074 0.453939 O\n0.663939 0.557074 0.046061 O\n0.163939 0.442926 0.953939 O\n0.849629 0.828183 0.566073 O\n0.349629 0.171817 0.433927 O\n0.349629 0.671817 0.066073 O\n0.849629 0.328183 0.933927 O\n0.159445 0.719476 0.572915 O\n0.659445 0.280524 0.427085 O\n0.659445 0.780524 0.072915 O\n0.159445 0.219476 0.927085 O\n0.842718 0.610206 0.579221 O\n0.342718 0.389794 0.420779 O\n0.342718 0.889794 0.079221 O\n0.842718 0.110206 0.920779 O\n0.340789 0.509623 0.579270 O\n0.840789 0.490377 0.420730 O\n0.840789 0.990377 0.079270 O\n0.340789 0.009623 0.920730 O\n0.227296 0.385249 0.653952 O\n0.727296 0.614751 0.346048 O\n0.727296 0.114751 0.153952 O\n0.227296 0.885249 0.846048 O\n0.763520 0.266730 0.646760 O\n0.263520 0.733270 0.353240 O\n0.263520 0.233270 0.146760 O\n0.763520 0.766730 0.853240 O\n0.231991 0.156702 0.638634 O\n0.731991 0.843298 0.361366 O\n0.731991 0.343298 0.138634 O\n0.231991 0.656702 0.861366 O\n0.733013 0.967991 0.638221 O\n0.233013 0.032009 0.361779 O\n0.233013 0.532009 0.138221 O\n0.733013 0.467991 0.861779 O\n0.264410 0.857703 0.649423 O\n0.764410 0.142297 0.350577 O\n0.764410 0.642297 0.149423 O\n0.264410 0.357703 0.850577 O\n0.727502 0.734454 0.656571 O\n0.227502 0.265546 0.343429 O\n0.227502 0.765546 0.156571 O\n0.727502 0.234454 0.843429 O\n0.271109 0.618159 0.662722 O\n0.771109 0.381841 0.337278 O\n0.771109 0.881841 0.162722 O\n0.271109 0.118159 0.837278 O\n0.771617 0.502460 0.661674 O\n0.271617 0.497540 0.338326 O\n0.271617 0.997540 0.161674 O\n0.771617 0.002460 0.838326 O\n0.008656 0.437794 0.762562 O\n0.508656 0.562206 0.237438 O\n0.508656 0.062206 0.262562 O\n0.008656 0.937794 0.737438 O\n0.507379 0.433809 0.758383 O\n0.007379 0.566191 0.241617 O\n0.007379 0.066191 0.258383 O\n0.507379 0.933809 0.741617 O\n0.993083 0.313075 0.751180 O\n0.493083 0.686925 0.248820 O\n0.493083 0.186925 0.251180 O\n0.993083 0.813075 0.748820 O\n0.492592 0.309644 0.748419 O\n0.992592 0.690356 0.251581 O\n0.992592 0.190356 0.248419 O\n0.492592 0.809644 0.751581 O\n0.007500 0.188627 0.741359 O\n0.507500 0.811373 0.258641 O\n0.507500 0.311373 0.241359 O\n0.007500 0.688627 0.758641 O\n0.508386 0.184581 0.737483 O\n0.008386 0.815419 0.262517 O\n0.008386 0.315419 0.237483 O\n0.508386 0.684581 0.762517 O\n0.988832 0.063525 0.726089 O\n0.488832 0.936475 0.273911 O\n0.488832 0.436475 0.226089 O\n0.988832 0.563525 0.773911 O\n0.489693 0.058764 0.726037 O\n0.989693 0.941236 0.273963 O\n0.989693 0.441236 0.226037 O\n0.489693 0.558764 0.773963 O\n",
"nsites": 184,
"nelements": 4,
"elements": [
"Sr",
"Mn",
"Bi",
"O"
],
"chemical_system": "Bi-Mn-O-Sr",
"density": 6.836023373341331,
"density_atomic": 0.06294431547547476,
"volume": 2923.218699100678,
"volume_molar": 9.567410042526287,
"formula_full": "Sr32 Mn16 Bi32 O104",
"formula_reduced": "Sr4Mn2Bi4O13",
"formula_anonymous": "A2B4C4D13",
"energy": -1261.51405968,
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"updated_at": "2021-11-28T01:38:21.379000Z",
"spacegroup": 33
},
{
"id": "mp-1194852",
"created_at": "2022-09-04T14:41:32.061862Z",
"structure_string": "Na8 Cd8 P24 H64 O80\n1.0\n-9.492976 0.000000 0.000000\n-0.000000 0.000000 -15.190080\n0.000000 -15.538320 0.000000\nNa Cd P H O\n8 8 24 64 80\ndirect\n0.944085 0.940813 0.348805 Na\n0.444085 0.059187 0.151195 Na\n0.055915 0.559187 0.848805 Na\n0.555915 0.440813 0.651195 Na\n0.055915 0.059187 0.651195 Na\n0.555915 0.940813 0.848805 Na\n0.944085 0.440813 0.151195 Na\n0.444085 0.559187 0.348805 Na\n0.052988 0.045557 0.157397 Cd\n0.552988 0.954443 0.342603 Cd\n0.947012 0.454443 0.657397 Cd\n0.447012 0.545557 0.842603 Cd\n0.947012 0.954443 0.842603 Cd\n0.447012 0.045557 0.657397 Cd\n0.052988 0.545557 0.342603 Cd\n0.552988 0.454443 0.157397 Cd\n0.264684 0.011770 0.466703 P\n0.764684 0.988230 0.033297 P\n0.735316 0.488230 0.966703 P\n0.235316 0.511770 0.533297 P\n0.735316 0.988230 0.533297 P\n0.235316 0.011770 0.966703 P\n0.264684 0.511770 0.033297 P\n0.764684 0.488230 0.466703 P\n0.759335 0.121524 0.273049 P\n0.259335 0.878476 0.226951 P\n0.240665 0.378476 0.773049 P\n0.740665 0.621524 0.726951 P\n0.240665 0.878476 0.726951 P\n0.740665 0.121524 0.773049 P\n0.759335 0.621524 0.226951 P\n0.259335 0.378476 0.273049 P\n0.033490 0.743864 0.466662 P\n0.533490 0.256136 0.033338 P\n0.966510 0.756136 0.966662 P\n0.466510 0.243864 0.533338 P\n0.966510 0.256136 0.533338 P\n0.466510 0.743864 0.966662 P\n0.033490 0.243864 0.033338 P\n0.533490 0.756136 0.466662 P\n0.246883 0.922159 0.446699 H\n0.746883 0.077841 0.053301 H\n0.753117 0.577841 0.946699 H\n0.253117 0.422159 0.553301 H\n0.753117 0.077841 0.553301 H\n0.253117 0.922159 0.946699 H\n0.246883 0.422159 0.053301 H\n0.746883 0.577841 0.446699 H\n0.758759 0.162502 0.354251 H\n0.258759 0.837498 0.145749 H\n0.241241 0.337498 0.854251 H\n0.741241 0.662502 0.645749 H\n0.241241 0.837498 0.645749 H\n0.741241 0.162502 0.854251 H\n0.758759 0.662502 0.145749 H\n0.258759 0.337498 0.354251 H\n0.181610 0.742440 0.459735 H\n0.681610 0.257560 0.040265 H\n0.818390 0.757560 0.959735 H\n0.318390 0.242440 0.540265 H\n0.818390 0.257560 0.540265 H\n0.318390 0.742440 0.959735 H\n0.181610 0.242440 0.040265 H\n0.681610 0.757560 0.459735 H\n0.080647 0.101744 0.467069 H\n0.580647 0.898256 0.032931 H\n0.919353 0.398256 0.967069 H\n0.419353 0.601744 0.532931 H\n0.919353 0.898256 0.532931 H\n0.419353 0.101744 0.967069 H\n0.080647 0.601744 0.032931 H\n0.580647 0.398256 0.467069 H\n0.850081 0.198919 0.165501 H\n0.350081 0.801081 0.334499 H\n0.149919 0.301081 0.665501 H\n0.649919 0.698919 0.834499 H\n0.149919 0.801081 0.834499 H\n0.649919 0.198919 0.665501 H\n0.850081 0.698919 0.334499 H\n0.350081 0.301081 0.165501 H\n0.038354 0.645716 0.570409 H\n0.538354 0.354284 0.929591 H\n0.961646 0.854284 0.070409 H\n0.461646 0.145716 0.429591 H\n0.961646 0.354284 0.429591 H\n0.461646 0.645716 0.070409 H\n0.038354 0.145716 0.929591 H\n0.538354 0.854284 0.570409 H\n0.734550 0.815272 0.265756 H\n0.234550 0.184728 0.234244 H\n0.265450 0.684728 0.765756 H\n0.765450 0.315272 0.734244 H\n0.265450 0.184728 0.734244 H\n0.765450 0.815272 0.765756 H\n0.734550 0.315272 0.234244 H\n0.234550 0.684728 0.265756 H\n0.736503 0.898513 0.204053 H\n0.236503 0.101487 0.295947 H\n0.263497 0.601487 0.704053 H\n0.763497 0.398513 0.795947 H\n0.263497 0.101487 0.795947 H\n0.763497 0.898513 0.704053 H\n0.736503 0.398513 0.295947 H\n0.236503 0.601487 0.204053 H\n0.126138 0.055280 0.427092 O\n0.626138 0.944720 0.072908 O\n0.873862 0.444720 0.927092 O\n0.373862 0.555280 0.572908 O\n0.873862 0.944720 0.572908 O\n0.373862 0.055280 0.927092 O\n0.126138 0.555280 0.072908 O\n0.626138 0.444720 0.427092 O\n0.394719 0.044586 0.417674 O\n0.894719 0.955414 0.082326 O\n0.605281 0.455414 0.917674 O\n0.105281 0.544586 0.582326 O\n0.605281 0.955414 0.582326 O\n0.105281 0.044586 0.917674 O\n0.394719 0.544586 0.082326 O\n0.894719 0.455414 0.417674 O\n0.266086 0.024592 0.563707 O\n0.766086 0.975408 0.936293 O\n0.733914 0.475408 0.063707 O\n0.233914 0.524592 0.436293 O\n0.733914 0.975408 0.436293 O\n0.233914 0.024592 0.063707 O\n0.266086 0.524592 0.936293 O\n0.766086 0.475408 0.563707 O\n0.766545 0.203088 0.207472 O\n0.266545 0.796912 0.292528 O\n0.233455 0.296912 0.707472 O\n0.733455 0.703088 0.792528 O\n0.233455 0.796912 0.792528 O\n0.733455 0.203088 0.707472 O\n0.766545 0.703088 0.292528 O\n0.266545 0.296912 0.207472 O\n0.892049 0.066217 0.264414 O\n0.392049 0.933783 0.235586 O\n0.107951 0.433783 0.764414 O\n0.607951 0.566217 0.735586 O\n0.107951 0.933783 0.735586 O\n0.607951 0.066217 0.764414 O\n0.892049 0.566217 0.235586 O\n0.392049 0.433783 0.264414 O\n0.619538 0.074320 0.260374 O\n0.119538 0.925680 0.239626 O\n0.380462 0.425680 0.760374 O\n0.880462 0.574320 0.739626 O\n0.380462 0.925680 0.739626 O\n0.880462 0.074320 0.760374 O\n0.619538 0.574320 0.239626 O\n0.119538 0.425680 0.260374 O\n0.000844 0.707118 0.560327 O\n0.500844 0.292882 0.939673 O\n0.999156 0.792882 0.060327 O\n0.499156 0.207118 0.439673 O\n0.999156 0.292882 0.439673 O\n0.499156 0.707118 0.060327 O\n0.000844 0.207118 0.939673 O\n0.500844 0.792882 0.560327 O\n0.980132 0.837772 0.461862 O\n0.480131 0.162228 0.038138 O\n0.019869 0.662228 0.961862 O\n0.519868 0.337772 0.538138 O\n0.019869 0.162228 0.538138 O\n0.519868 0.837772 0.961862 O\n0.980132 0.337772 0.038138 O\n0.480131 0.662228 0.461862 O\n0.976580 0.681982 0.396475 O\n0.476580 0.318018 0.103525 O\n0.023420 0.818018 0.896475 O\n0.523420 0.181982 0.603525 O\n0.023420 0.318018 0.603525 O\n0.523420 0.681982 0.896475 O\n0.976580 0.181982 0.103525 O\n0.476580 0.818018 0.396475 O\n0.738272 0.880482 0.264496 O\n0.238272 0.119518 0.235504 O\n0.261728 0.619518 0.764496 O\n0.761728 0.380482 0.735504 O\n0.261728 0.119518 0.735504 O\n0.761728 0.880482 0.764496 O\n0.738272 0.380482 0.235504 O\n0.238272 0.619518 0.264496 O\n",
"nsites": 184,
"nelements": 5,
"elements": [
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"Cd",
"P",
"H",
"O"
],
"chemical_system": "Cd-H-Na-O-P",
"density": 2.35008649749782,
"density_atomic": 0.08212044948658581,
"volume": 2240.6112137763685,
"volume_molar": 7.333302237932469,
"formula_full": "Na8 Cd8 P24 H64 O80",
"formula_reduced": "NaCdP3(H4O5)2",
"formula_anonymous": "ABC3D8E10",
"energy": -1078.69727945,
"energy_per_atom": -5.862485214402174,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
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"energy_uncorrected": -1023.7372794499998,
"band_gap": 4.9967,
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"is_magnetic": false,
"total_magnetization": 2e-07,
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"updated_at": "2021-11-28T01:35:19.687000Z",
"spacegroup": 61
},
{
"id": "mp-849764",
"created_at": "2022-09-04T14:39:14.424693Z",
"structure_string": "H112 Pt8 Br20 N36 O8\n1.0\n14.954870 0.000000 0.000000\n0.000000 11.060801 0.000000\n0.000000 4.198416 12.077011\nH Pt Br N O\n112 8 20 36 8\ndirect\n0.368122 0.073902 0.005655 H\n0.900114 0.057948 0.075674 H\n0.434465 0.179641 0.032488 H\n0.056802 0.054843 0.329439 H\n0.215092 0.063845 0.340053 H\n0.322644 0.197848 0.034292 H\n0.786449 0.094626 0.305566 H\n0.608872 0.044672 0.460292 H\n0.793620 0.162619 0.179658 H\n0.026552 0.168067 0.213367 H\n0.243230 0.175951 0.223465 H\n0.131878 0.073902 0.505655 H\n0.975187 0.153760 0.334132 H\n0.599886 0.057948 0.575674 H\n0.288763 0.173378 0.344719 H\n0.659667 0.248065 0.195127 H\n0.550144 0.267760 0.185888 H\n0.065535 0.179641 0.532488 H\n0.443198 0.054843 0.829439 H\n0.617035 0.368823 0.089939 H\n0.284908 0.063845 0.840053 H\n0.177356 0.197848 0.534292 H\n0.713551 0.094626 0.805566 H\n0.891128 0.044672 0.960292 H\n0.686787 0.240228 0.418540 H\n0.760325 0.301976 0.315583 H\n0.477049 0.285982 0.329469 H\n0.706380 0.162619 0.679658 H\n0.070522 0.400896 0.121160 H\n0.536580 0.278449 0.439101 H\n0.473448 0.168067 0.713367 H\n0.182727 0.410880 0.121682 H\n0.256770 0.175951 0.723465 H\n0.524813 0.153760 0.834132 H\n0.211237 0.173378 0.844719 H\n0.747342 0.372666 0.409037 H\n0.972624 0.404349 0.300881 H\n0.840333 0.248065 0.695127 H\n0.949856 0.267760 0.685888 H\n0.468141 0.403901 0.384029 H\n0.270268 0.431411 0.306116 H\n0.023744 0.418082 0.413156 H\n0.210686 0.433292 0.416576 H\n0.882965 0.368823 0.589939 H\n0.710686 0.566708 0.083424 H\n0.813213 0.240228 0.918540 H\n0.739675 0.301976 0.815583 H\n0.022951 0.285982 0.829469 H\n0.523744 0.581918 0.086844 H\n0.770268 0.568589 0.193884 H\n0.968141 0.596099 0.115971 H\n0.429478 0.400896 0.621160 H\n0.963420 0.278449 0.939101 H\n0.317273 0.410880 0.621682 H\n0.472624 0.595651 0.199119 H\n0.247342 0.627334 0.090963 H\n0.752658 0.372666 0.909037 H\n0.527376 0.404349 0.800881 H\n0.682727 0.589120 0.378318 H\n0.036580 0.721551 0.060899 H\n0.570522 0.599104 0.378840 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H\n0.934465 0.820359 0.467512 H\n0.449856 0.732240 0.814112 H\n0.340333 0.751935 0.804873 H\n0.711237 0.826622 0.655281 H\n0.400114 0.942052 0.424326 H\n0.024813 0.846240 0.665868 H\n0.868122 0.926098 0.494345 H\n0.756770 0.824049 0.776535 H\n0.973448 0.831933 0.786633 H\n0.206380 0.837381 0.820342 H\n0.391128 0.955328 0.539708 H\n0.213551 0.905374 0.694434 H\n0.677356 0.802152 0.965708 H\n0.784908 0.936155 0.659947 H\n0.943198 0.945157 0.670561 H\n0.565535 0.820359 0.967512 H\n0.099886 0.942052 0.924326 H\n0.631878 0.926098 0.994345 H\n0.126995 0.277783 0.326143 Pt\n0.616250 0.444581 0.264680 Pt\n0.373005 0.277783 0.826143 Pt\n0.116250 0.555419 0.235320 Pt\n0.883750 0.444581 0.764680 Pt\n0.626995 0.722217 0.173857 Pt\n0.383750 0.555419 0.735320 Pt\n0.873005 0.722217 0.673857 Pt\n0.443420 0.097069 0.262258 Br\n0.154886 0.192800 0.037995 Br\n0.877722 0.129234 0.495804 Br\n0.056580 0.097069 0.762258 Br\n0.345114 0.192800 0.537995 Br\n0.890477 0.381303 0.128988 Br\n0.354967 0.455114 0.083988 Br\n0.622278 0.129234 0.995804 Br\n0.609523 0.381303 0.628988 Br\n0.145033 0.455114 0.583988 Br\n0.854967 0.544886 0.416012 Br\n0.390477 0.618697 0.371012 Br\n0.377722 0.870766 0.004196 Br\n0.645033 0.544886 0.916012 Br\n0.109523 0.618697 0.871012 Br\n0.654886 0.807200 0.462005 Br\n0.943420 0.902931 0.237742 Br\n0.122278 0.870766 0.504196 Br\n0.845114 0.807200 0.962005 Br\n0.556580 0.902931 0.737742 Br\n0.036111 0.148893 0.296914 N\n0.230607 0.159828 0.306243 N\n0.124683 0.171135 0.494193 N\n0.610040 0.317858 0.173439 N\n0.463889 0.148893 0.796914 N\n0.712916 0.325100 0.364186 N\n0.125342 0.409519 0.166849 N\n0.269393 0.159828 0.806243 N\n0.512644 0.342035 0.365899 N\n0.033819 0.412360 0.335552 N\n0.206729 0.427262 0.337670 N\n0.375317 0.171135 0.994193 N\n0.889960 0.317858 0.673439 N\n0.706729 0.572738 0.162330 N\n0.533819 0.587640 0.164448 N\n0.787084 0.325100 0.864186 N\n0.374658 0.409519 0.666849 N\n0.987356 0.342035 0.865899 N\n0.012644 0.657965 0.134101 N\n0.625342 0.590481 0.333151 N\n0.212916 0.674900 0.135814 N\n0.466181 0.412360 0.835552 N\n0.293271 0.427262 0.837670 N\n0.110040 0.682142 0.326561 N\n0.624683 0.828865 0.005807 N\n0.793271 0.572738 0.662330 N\n0.966181 0.587640 0.664448 N\n0.487356 0.657965 0.634101 N\n0.730607 0.840172 0.193757 N\n0.874658 0.590481 0.833151 N\n0.287084 0.674900 0.635814 N\n0.536111 0.851107 0.203086 N\n0.389960 0.682142 0.826561 N\n0.875317 0.828865 0.505807 N\n0.769393 0.840172 0.693757 N\n0.963889 0.851107 0.703086 N\n0.750468 0.119705 0.238018 O\n0.615574 0.108099 0.497952 O\n0.749532 0.119705 0.738018 O\n0.884426 0.108099 0.997952 O\n0.115574 0.891901 0.002048 O\n0.250468 0.880295 0.261982 O\n0.384426 0.891901 0.502048 O\n0.249532 0.880295 0.761982 O\n",
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"elements": [
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],
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"density": 3.2450143087104166,
"density_atomic": 0.09210625834290882,
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"updated_at": "2021-11-28T01:34:29.050000Z",
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},
{
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"density_atomic": 0.09054927477159333,
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"volume_molar": 6.6506780702447275,
"formula_full": "Na8 Mg8 P24 H64 O80",
"formula_reduced": "NaMgP3(H4O5)2",
"formula_anonymous": "ABC3D8E10",
"energy": -1112.66815128,
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"updated_at": "2021-11-28T01:35:31.833000Z",
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{
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