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{
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"results": [
{
"id": "mp-1199010",
"created_at": "2022-09-04T14:46:17.316213Z",
"structure_string": "Zn2 P4 H6 C8 N2 O16\n1.0\n4.997401 0.000000 7.426192\n4.997401 0.000000 -7.426192\n-4.997401 8.016008 0.000000\nZn P H C N O\n2 4 6 8 2 16\ndirect\n0.515423 0.484577 0.000000 Zn\n0.265423 0.734577 0.500000 Zn\n0.258366 0.548498 0.743084 P\n0.451502 0.741634 0.256916 P\n0.265282 0.055414 0.756916 P\n0.944586 0.734718 0.243084 P\n0.275004 0.724996 0.000000 H\n0.025004 0.974996 0.500000 H\n0.111079 0.258801 0.677746 H\n0.741199 0.888921 0.322254 H\n0.183332 0.831054 0.822254 H\n0.168946 0.816668 0.177746 H\n0.618640 0.496190 0.476483 C\n0.503810 0.381360 0.523517 C\n0.892157 0.269708 0.023517 C\n0.730292 0.107843 0.976483 C\n0.619417 0.329971 0.622276 C\n0.670029 0.380583 0.377724 C\n0.747142 0.957696 0.877724 C\n0.042304 0.252858 0.122276 C\n0.668847 0.331153 0.500000 N\n0.918847 0.081153 0.000000 N\n0.439204 0.554780 0.826338 O\n0.445220 0.560796 0.173662 O\n0.362865 0.978442 0.673662 O\n0.021558 0.637135 0.326338 O\n0.407481 0.226713 0.919327 O\n0.773287 0.592519 0.080673 O\n0.238154 0.557386 0.580673 O\n0.442614 0.761846 0.419327 O\n0.248837 0.704523 0.861245 O\n0.295477 0.751163 0.138755 O\n0.137592 0.093278 0.638755 O\n0.906722 0.862408 0.361245 O\n0.093394 0.368085 0.707897 O\n0.631915 0.906606 0.292103 O\n0.135497 0.910188 0.792103 O\n0.089812 0.864503 0.207897 O\n",
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"elements": [
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"P",
"H",
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"density_atomic": 0.06386826023130494,
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"volume_molar": 9.429003918676111,
"formula_full": "Zn2 P4 H6 C8 N2 O16",
"formula_reduced": "ZnP2H3C4NO8",
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"updated_at": "2021-11-28T01:37:34.665000Z",
"spacegroup": 43
},
{
"id": "mp-1203969",
"created_at": "2022-09-04T14:41:50.688900Z",
"structure_string": "Zn4 P12 H64 C12 N4 O48\n1.0\n16.364159 0.000000 0.000000\n0.000000 9.298589 0.000000\n0.000000 4.212524 8.894032\nZn P H C N O\n4 12 64 12 4 48\ndirect\n0.209334 0.542843 0.829734 Zn\n0.709334 0.457157 0.670266 Zn\n0.790666 0.457157 0.170266 Zn\n0.290666 0.542843 0.329734 Zn\n0.284315 0.177018 0.010291 P\n0.784315 0.822982 0.489709 P\n0.715685 0.822982 0.989709 P\n0.215685 0.177018 0.510291 P\n0.380348 0.540590 0.618537 P\n0.880348 0.459410 0.881463 P\n0.619652 0.459410 0.381463 P\n0.119652 0.540590 0.118537 P\n0.463409 0.943919 0.779891 P\n0.963409 0.056081 0.720109 P\n0.536591 0.056081 0.220109 P\n0.036591 0.943919 0.279891 P\n0.324784 0.052622 0.852728 H\n0.824784 0.947378 0.647272 H\n0.675216 0.947378 0.147272 H\n0.175216 0.052622 0.352728 H\n0.524600 0.203519 0.701174 H\n0.024600 0.796481 0.798826 H\n0.475400 0.796481 0.298826 H\n0.975400 0.203519 0.201174 H\n0.503126 0.409398 0.748860 H\n0.003126 0.590602 0.751140 H\n0.496874 0.590602 0.251140 H\n0.996874 0.409398 0.248860 H\n0.426138 0.412082 0.875896 H\n0.926138 0.587918 0.624104 H\n0.573862 0.587918 0.124104 H\n0.073862 0.412082 0.375896 H\n0.299017 0.254440 0.739028 H\n0.799017 0.745560 0.760972 H\n0.700983 0.745560 0.260972 H\n0.200983 0.254440 0.239028 H\n0.431794 0.222297 0.603252 H\n0.931794 0.777703 0.896748 H\n0.568206 0.777703 0.396748 H\n0.068206 0.222297 0.103252 H\n0.452022 0.157395 0.924057 H\n0.952022 0.842605 0.575943 H\n0.547978 0.842605 0.075943 H\n0.047978 0.157395 0.424057 H\n0.596644 0.924103 0.764878 H\n0.096644 0.075897 0.735122 H\n0.403356 0.075897 0.235122 H\n0.903356 0.924103 0.264878 H\n0.318255 0.770242 0.831399 H\n0.818255 0.229758 0.668601 H\n0.681745 0.229758 0.168601 H\n0.181745 0.770242 0.331399 H\n0.110522 0.780995 0.583761 H\n0.610522 0.219005 0.916239 H\n0.889478 0.219005 0.416239 H\n0.389478 0.780995 0.083761 H\n0.167258 0.400747 0.646673 H\n0.667258 0.599253 0.853327 H\n0.832742 0.599253 0.353327 H\n0.332742 0.400747 0.146673 H\n0.167923 0.027652 0.078830 H\n0.667923 0.972348 0.421170 H\n0.832077 0.972348 0.921170 H\n0.332077 0.027652 0.578830 H\n0.416907 0.765353 0.630353 H\n0.916907 0.234647 0.869647 H\n0.583093 0.234647 0.369647 H\n0.083093 0.765353 0.130353 H\n0.116847 0.317196 0.796199 H\n0.616847 0.682804 0.703801 H\n0.883153 0.682804 0.203801 H\n0.383153 0.317196 0.296199 H\n0.166364 0.857093 0.667246 H\n0.666364 0.142907 0.832754 H\n0.833636 0.142907 0.332754 H\n0.333636 0.857093 0.167246 H\n0.268333 0.690245 0.990522 H\n0.768333 0.309755 0.509478 H\n0.731667 0.309755 0.009478 H\n0.231667 0.690245 0.490522 H\n0.461101 0.162051 0.713453 C\n0.961101 0.837949 0.786547 C\n0.538899 0.837949 0.286547 C\n0.038899 0.162051 0.213453 C\n0.437908 0.390498 0.776448 C\n0.937908 0.609502 0.723552 C\n0.562092 0.609502 0.223552 C\n0.062092 0.390498 0.276448 C\n0.331359 0.174636 0.841337 C\n0.831359 0.825364 0.658663 C\n0.668641 0.825364 0.158663 C\n0.168641 0.174636 0.341337 C\n0.420632 0.216395 0.820907 N\n0.920632 0.783605 0.679093 N\n0.579368 0.783605 0.179093 N\n0.079368 0.216395 0.320907 N\n0.154873 0.756161 0.659314 O\n0.654873 0.243839 0.840686 O\n0.845127 0.243839 0.340686 O\n0.345127 0.756161 0.159314 O\n0.392088 0.893669 0.707904 O\n0.892088 0.106331 0.792096 O\n0.607912 0.106331 0.292096 O\n0.107912 0.893669 0.207904 O\n0.295834 0.562798 0.669364 O\n0.795834 0.437202 0.830636 O\n0.704166 0.437202 0.330636 O\n0.204166 0.562798 0.169364 O\n0.116530 0.499134 0.985317 O\n0.616530 0.500866 0.514683 O\n0.883470 0.500866 0.014683 O\n0.383470 0.499134 0.485317 O\n0.282203 0.345910 0.997651 O\n0.782203 0.654090 0.502349 O\n0.717797 0.654090 0.002349 O\n0.217797 0.345910 0.497651 O\n0.464937 0.868958 0.950548 O\n0.964937 0.131042 0.549452 O\n0.535063 0.131042 0.049452 O\n0.035063 0.868958 0.450548 O\n0.328406 0.055423 0.147347 O\n0.828406 0.944577 0.352653 O\n0.671594 0.944577 0.852653 O\n0.171594 0.055423 0.647347 O\n0.544969 0.912673 0.710902 O\n0.044969 0.087327 0.789098 O\n0.455031 0.087327 0.289098 O\n0.955031 0.912673 0.210902 O\n0.194783 0.120538 0.993591 O\n0.694783 0.879462 0.506409 O\n0.805217 0.879462 0.006409 O\n0.305217 0.120538 0.493591 O\n0.435364 0.693213 0.584208 O\n0.935364 0.306787 0.915792 O\n0.564636 0.306787 0.415792 O\n0.064636 0.693213 0.084208 O\n0.138599 0.420098 0.725940 O\n0.638599 0.579902 0.774060 O\n0.861401 0.579902 0.274060 O\n0.361401 0.420098 0.225940 O\n0.269794 0.707670 0.884786 O\n0.769794 0.292330 0.615214 O\n0.730206 0.292330 0.115214 O\n0.230206 0.707670 0.384786 O\n",
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"elements": [
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"H",
"C",
"N",
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],
"chemical_system": "C-H-N-O-P-Zn",
"density": 2.0441046057299403,
"density_atomic": 0.10640280122417117,
"volume": 1353.3478286593079,
"volume_molar": 5.659757723212996,
"formula_full": "Zn4 P12 H64 C12 N4 O48",
"formula_reduced": "ZnP3H16C3NO12",
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"energy": -853.73994067,
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"spacegroup": 14
},
{
"id": "mp-540575",
"created_at": "2022-09-04T14:39:58.974030Z",
"structure_string": "Zn2 Hg4 H28 C8 N12 O26\n1.0\n3.309833 8.991152 0.000000\n-3.309833 8.991152 0.000000\n0.000000 1.451201 16.441166\nZn Hg H C N O\n2 4 28 8 12 26\ndirect\n0.000000 0.000000 0.500000 Zn\n0.000000 0.000000 0.000000 Zn\n0.792704 0.521486 0.085867 Hg\n0.478514 0.207296 0.414133 Hg\n0.207296 0.478514 0.914133 Hg\n0.521486 0.792704 0.585867 Hg\n0.199668 0.888256 0.252101 H\n0.111744 0.800332 0.247899 H\n0.800332 0.111744 0.747899 H\n0.888256 0.199668 0.752101 H\n0.183799 0.648540 0.092607 H\n0.351460 0.816201 0.407393 H\n0.816201 0.351460 0.907393 H\n0.648540 0.183799 0.592607 H\n0.934873 0.795908 0.086826 H\n0.204092 0.065127 0.413174 H\n0.065127 0.204092 0.913174 H\n0.795908 0.934873 0.586826 H\n0.933633 0.086885 0.161921 H\n0.913115 0.066367 0.338079 H\n0.066367 0.913115 0.838079 H\n0.086885 0.933633 0.661921 H\n0.702488 0.258965 0.123166 H\n0.741035 0.297512 0.376834 H\n0.297512 0.741035 0.876834 H\n0.258965 0.702488 0.623166 H\n0.579280 0.985957 0.129206 H\n0.014043 0.420720 0.370794 H\n0.420720 0.014043 0.870794 H\n0.985957 0.579280 0.629206 H\n0.751060 0.832801 0.196105 H\n0.167199 0.248940 0.303895 H\n0.248940 0.167199 0.803895 H\n0.832801 0.751060 0.696105 H\n0.480467 0.724844 0.054640 C\n0.275156 0.519533 0.445360 C\n0.519533 0.275156 0.945360 C\n0.724844 0.480467 0.554640 C\n0.110442 0.324282 0.103787 C\n0.675718 0.889558 0.396213 C\n0.889558 0.675718 0.896213 C\n0.324282 0.110442 0.603787 C\n0.306197 0.833394 0.035896 N\n0.166606 0.693803 0.464104 N\n0.693803 0.166606 0.964104 N\n0.833394 0.306197 0.535896 N\n0.290549 0.212626 0.114285 N\n0.787374 0.709451 0.385715 N\n0.709451 0.787374 0.885715 N\n0.212626 0.290549 0.614285 N\n0.593111 0.609020 0.282860 N\n0.390980 0.406889 0.217140 N\n0.406889 0.390980 0.717140 N\n0.609020 0.593111 0.782860 N\n0.065403 0.934597 0.250000 O\n0.934597 0.065403 0.750000 O\n0.940979 0.250310 0.943913 O\n0.749690 0.059021 0.556087 O\n0.059021 0.749690 0.056087 O\n0.250310 0.940979 0.443913 O\n0.853628 0.175947 0.111300 O\n0.824053 0.146372 0.388700 O\n0.146372 0.824053 0.888700 O\n0.175947 0.853628 0.611300 O\n0.734842 0.847619 0.137451 O\n0.152381 0.265158 0.362549 O\n0.265158 0.152381 0.862549 O\n0.847619 0.734842 0.637451 O\n0.553234 0.575269 0.353136 O\n0.424731 0.446766 0.146864 O\n0.446766 0.424731 0.646864 O\n0.575269 0.553234 0.853136 O\n0.447546 0.793862 0.248688 O\n0.206138 0.552454 0.251312 O\n0.552454 0.206138 0.751312 O\n0.793862 0.447546 0.748688 O\n0.775590 0.457389 0.249091 O\n0.542611 0.224410 0.250909 O\n0.224410 0.542611 0.750909 O\n0.457389 0.775590 0.749091 O\n",
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"density_atomic": 0.08175342490894837,
"volume": 978.5522758110596,
"volume_molar": 7.36622443244068,
"formula_full": "Zn2 Hg4 H28 C8 N12 O26",
"formula_reduced": "ZnHg2H14C4N6O13",
"formula_anonymous": "AB2C4D6E13F14",
"energy": -466.61533805,
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"updated_at": "2021-11-28T01:34:44.436000Z",
"spacegroup": 15
},
{
"id": "mp-1201403",
"created_at": "2022-09-04T14:41:53.935627Z",
"structure_string": "Zn2 H26 Ru2 N10 Cl8 O4\n1.0\n8.131494 0.000000 0.000000\n-4.065747 8.247821 0.000000\n0.000000 0.000000 9.640912\nZn H Ru N Cl O\n2 26 2 10 8 4\ndirect\n0.889024 0.778047 0.920290 Zn\n0.110976 0.221953 0.420290 Zn\n0.466158 0.932316 0.906349 H\n0.533842 0.067684 0.406349 H\n0.865577 0.165807 0.673015 H\n0.300230 0.165807 0.673015 H\n0.134423 0.834193 0.173015 H\n0.699770 0.834193 0.173015 H\n0.739889 0.002280 0.764377 H\n0.262391 0.002280 0.764377 H\n0.260111 0.997720 0.264377 H\n0.737609 0.997720 0.264377 H\n0.660490 0.033233 0.614495 H\n0.372743 0.033233 0.614495 H\n0.339510 0.966767 0.114495 H\n0.627257 0.966767 0.114495 H\n0.949901 0.429231 0.897752 H\n0.479330 0.429231 0.897752 H\n0.050099 0.570769 0.397752 H\n0.520670 0.570769 0.397752 H\n0.827231 0.351275 0.037874 H\n0.524045 0.351275 0.037874 H\n0.172769 0.648725 0.537874 H\n0.475955 0.648725 0.537874 H\n0.907705 0.242637 0.949666 H\n0.334932 0.242637 0.949666 H\n0.092295 0.757363 0.449666 H\n0.665068 0.757363 0.449666 H\n0.609536 0.219071 0.812045 Ru\n0.390464 0.780929 0.312045 Ru\n0.686886 0.373771 0.686323 N\n0.313114 0.626229 0.186323 N\n0.732670 0.090484 0.702486 N\n0.357814 0.090484 0.702486 N\n0.267330 0.909516 0.202486 N\n0.642186 0.909516 0.202486 N\n0.851461 0.323108 0.939315 N\n0.471647 0.323108 0.939315 N\n0.148539 0.676892 0.439315 N\n0.528353 0.676892 0.439315 N\n0.612496 0.707892 0.817175 Cl\n0.095396 0.707892 0.817175 Cl\n0.387504 0.292108 0.317175 Cl\n0.904604 0.292108 0.317175 Cl\n0.026878 0.053755 0.960795 Cl\n0.973122 0.946245 0.460795 Cl\n0.825391 0.650782 0.134273 Cl\n0.174609 0.349218 0.634273 Cl\n0.732534 0.465069 0.593684 O\n0.267466 0.534931 0.093684 O\n0.519639 0.039279 0.950452 O\n0.480361 0.960721 0.450452 O\n",
"nsites": 52,
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"elements": [
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],
"chemical_system": "Cl-H-N-O-Ru-Zn",
"density": 2.174850740117499,
"density_atomic": 0.0804221449405439,
"volume": 646.5880764364542,
"volume_molar": 7.488162326996091,
"formula_full": "Zn2 H26 Ru2 N10 Cl8 O4",
"formula_reduced": "ZnH13RuN5(Cl2O)2",
"formula_anonymous": "ABC2D4E5F13",
"energy": -271.1235197,
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"updated_at": "2021-11-28T01:35:37.941000Z",
"spacegroup": 36
},
{
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{
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"id": "mp-706601",
"created_at": "2022-09-04T14:47:24.339543Z",
"structure_string": "Zn4 H64 C16 S16 N40 O24\n1.0\n8.882842 0.000000 0.000000\n0.000000 9.911916 0.000000\n0.000000 0.000000 23.881941\nZn H C S N O\n4 64 16 16 40 24\ndirect\n0.250000 0.250000 0.521918 Zn\n0.750000 0.750000 0.978082 Zn\n0.750000 0.750000 0.478082 Zn\n0.250000 0.250000 0.021918 Zn\n0.213679 0.886781 0.308314 H\n0.286321 0.613219 0.308314 H\n0.713679 0.113219 0.191686 H\n0.786321 0.386781 0.191686 H\n0.786321 0.113219 0.691686 H\n0.713679 0.386781 0.691686 H\n0.286321 0.886781 0.808314 H\n0.213679 0.613219 0.808314 H\n0.110506 0.838361 0.368293 H\n0.389494 0.661639 0.368293 H\n0.610506 0.161639 0.131707 H\n0.889494 0.338361 0.131707 H\n0.889494 0.161639 0.631707 H\n0.610506 0.338361 0.631707 H\n0.389494 0.838361 0.868293 H\n0.110506 0.661639 0.868293 H\n0.398549 0.157968 0.374282 H\n0.101451 0.342032 0.374282 H\n0.898549 0.842032 0.125718 H\n0.601451 0.657968 0.125718 H\n0.601451 0.842032 0.625718 H\n0.898549 0.657968 0.625718 H\n0.101451 0.157968 0.874282 H\n0.398549 0.342032 0.874282 H\n0.365761 0.080746 0.310635 H\n0.134239 0.419254 0.310635 H\n0.865761 0.919254 0.189365 H\n0.634239 0.580746 0.189365 H\n0.634239 0.919254 0.689365 H\n0.865761 0.580746 0.689365 H\n0.134239 0.080746 0.810635 H\n0.365761 0.419254 0.810635 H\n0.295287 0.642326 0.578357 H\n0.204713 0.857674 0.578357 H\n0.795287 0.357674 0.921643 H\n0.704713 0.142326 0.921643 H\n0.704713 0.357674 0.421643 H\n0.795287 0.142326 0.421643 H\n0.204713 0.642326 0.078357 H\n0.295287 0.857674 0.078357 H\n0.245709 0.598015 0.560727 H\n0.254291 0.901985 0.560727 H\n0.745709 0.401985 0.939273 H\n0.754291 0.098015 0.939273 H\n0.754291 0.401985 0.439273 H\n0.745709 0.098015 0.439273 H\n0.254291 0.598015 0.060727 H\n0.245709 0.901985 0.060727 H\n0.120809 0.366469 0.699100 H\n0.379191 0.133531 0.699100 H\n0.620809 0.633531 0.800900 H\n0.879191 0.866469 0.800900 H\n0.879191 0.633531 0.300900 H\n0.620809 0.866469 0.300900 H\n0.379191 0.366469 0.199100 H\n0.120809 0.133531 0.199100 H\n0.256567 0.494171 0.684640 H\n0.243433 0.005829 0.684640 H\n0.756567 0.505829 0.815360 H\n0.743433 0.994171 0.815360 H\n0.743433 0.505829 0.315360 H\n0.756567 0.994171 0.315360 H\n0.243433 0.494171 0.184640 H\n0.256567 0.005829 0.184640 H\n0.157558 0.402991 0.616938 C\n0.342442 0.097009 0.616938 C\n0.657558 0.597009 0.883062 C\n0.842442 0.902991 0.883062 C\n0.842442 0.597009 0.383062 C\n0.657558 0.902991 0.383062 C\n0.342442 0.402991 0.116938 C\n0.157558 0.097009 0.116938 C\n0.246903 0.002500 0.378172 C\n0.253097 0.497500 0.378172 C\n0.746903 0.997500 0.121828 C\n0.753097 0.502500 0.121828 C\n0.753097 0.997500 0.621828 C\n0.746903 0.502500 0.621828 C\n0.253097 0.002500 0.878172 C\n0.246903 0.497500 0.878172 C\n0.041368 0.318899 0.577075 S\n0.458632 0.181101 0.577075 S\n0.541368 0.681101 0.922925 S\n0.958632 0.818899 0.922925 S\n0.958632 0.681101 0.422925 S\n0.541368 0.818899 0.422925 S\n0.458632 0.318899 0.077075 S\n0.041368 0.181101 0.077075 S\n0.107852 0.093638 0.467775 S\n0.392148 0.406362 0.467775 S\n0.607852 0.906362 0.032225 S\n0.892148 0.593638 0.032225 S\n0.892148 0.906362 0.532225 S\n0.607852 0.593638 0.532225 S\n0.392148 0.093638 0.967775 S\n0.107852 0.406362 0.967775 S\n0.177802 0.906323 0.348236 N\n0.322198 0.593677 0.348236 N\n0.677802 0.093677 0.151764 N\n0.822198 0.406323 0.151764 N\n0.822198 0.093677 0.651764 N\n0.677802 0.406323 0.651764 N\n0.322198 0.906323 0.848236 N\n0.177802 0.593677 0.848236 N\n0.338320 0.088891 0.351898 N\n0.161680 0.411109 0.351898 N\n0.838320 0.911109 0.148102 N\n0.661680 0.588891 0.148102 N\n0.661680 0.911109 0.648102 N\n0.838320 0.588891 0.648102 N\n0.161680 0.088891 0.851898 N\n0.338320 0.411109 0.851898 N\n0.261881 0.489576 0.434967 N\n0.238119 0.010424 0.434967 N\n0.761881 0.510424 0.065033 N\n0.738119 0.989576 0.065033 N\n0.738119 0.510424 0.565033 N\n0.761881 0.989576 0.565033 N\n0.238119 0.489576 0.934967 N\n0.261881 0.010424 0.934967 N\n0.181721 0.421832 0.669349 N\n0.318279 0.078168 0.669349 N\n0.681721 0.578168 0.830651 N\n0.818279 0.921832 0.830651 N\n0.818279 0.578168 0.330651 N\n0.681721 0.921832 0.330651 N\n0.318279 0.421832 0.169349 N\n0.181721 0.078168 0.169349 N\n0.064216 0.681528 0.219086 N\n0.435784 0.818472 0.219086 N\n0.564216 0.318472 0.280914 N\n0.935784 0.181528 0.280914 N\n0.935784 0.318472 0.780914 N\n0.564216 0.181528 0.780914 N\n0.435784 0.681528 0.719086 N\n0.064216 0.818472 0.719086 N\n0.157753 0.595096 0.239351 O\n0.342247 0.904904 0.239351 O\n0.657753 0.404904 0.260649 O\n0.842247 0.095096 0.260649 O\n0.842247 0.404904 0.760649 O\n0.657753 0.095096 0.760649 O\n0.342247 0.595096 0.739351 O\n0.157753 0.904904 0.739351 O\n0.062693 0.704875 0.167737 O\n0.437307 0.795125 0.167737 O\n0.562693 0.295125 0.332263 O\n0.937307 0.204875 0.332263 O\n0.937307 0.295125 0.832263 O\n0.562693 0.204875 0.832263 O\n0.437307 0.704875 0.667737 O\n0.062693 0.795125 0.667737 O\n0.974279 0.741459 0.252621 O\n0.525721 0.758541 0.252621 O\n0.474279 0.258541 0.247379 O\n0.025721 0.241459 0.247379 O\n0.025721 0.258541 0.747379 O\n0.474279 0.241459 0.747379 O\n0.525721 0.741459 0.752621 O\n0.974279 0.758541 0.752621 O\n",
"nsites": 164,
"nelements": 6,
"elements": [
"Zn",
"H",
"C",
"S",
"N",
"O"
],
"chemical_system": "C-H-N-O-S-Zn",
"density": 1.5601663736751026,
"density_atomic": 0.07799462543357205,
"volume": 2102.708989091545,
"volume_molar": 7.721225310747919,
"formula_full": "Zn4 H64 C16 S16 N40 O24",
"formula_reduced": "ZnH16C4S4(N5O3)2",
"formula_anonymous": "AB4C4D6E10F16",
"energy": -932.13451634,
"energy_per_atom": -5.6837470508536585,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -901.20651634,
"band_gap": 0.0,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 4.9036548,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:01.532000Z",
"spacegroup": 56
}
]
}