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{
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"results": [
{
"id": "mp-1223058",
"created_at": "2022-09-04T14:41:07.632197Z",
"structure_string": "Mg3 Co1 B8 P8 H32 O52\n1.0\n-7.858659 0.002144 0.034062\n-0.001762 0.002254 -8.454922\n0.004008 -14.763030 0.003954\nMg Co B P H O\n3 1 8 8 32 52\ndirect\n0.249235 0.802673 0.534773 Mg\n0.249266 0.302844 0.965294 Mg\n0.750702 0.197308 0.465147 Mg\n0.750064 0.697578 0.034878 Co\n0.582385 0.726674 0.833368 B\n0.417566 0.773425 0.333517 B\n0.417554 0.273294 0.166643 B\n0.582437 0.226646 0.666574 B\n0.082953 0.440100 0.781826 B\n0.917044 0.059889 0.281881 B\n0.917057 0.560115 0.218030 B\n0.083035 0.940299 0.717837 B\n0.430933 0.435805 0.786672 P\n0.569070 0.064053 0.286720 P\n0.568687 0.564270 0.213480 P\n0.430959 0.935969 0.713047 P\n0.931219 0.224026 0.662871 P\n0.068496 0.276067 0.162968 P\n0.068740 0.776111 0.337050 P\n0.931986 0.724012 0.837015 P\n0.642041 0.689930 0.616328 H\n0.357666 0.809858 0.116230 H\n0.357910 0.310053 0.383660 H\n0.642516 0.189754 0.884022 H\n0.774943 0.499067 0.397363 H\n0.225006 0.000907 0.897393 H\n0.225018 0.500951 0.602672 H\n0.775421 0.996697 0.103026 H\n0.035034 0.723710 0.131254 H\n0.965275 0.777501 0.631647 H\n0.965381 0.277411 0.868232 H\n0.034835 0.222569 0.368286 H\n0.855359 0.885580 0.473594 H\n0.145309 0.614736 0.973540 H\n0.144670 0.114448 0.526393 H\n0.854655 0.386452 0.027088 H\n0.723538 0.921897 0.551771 H\n0.277075 0.578206 0.051965 H\n0.276513 0.078090 0.448236 H\n0.724606 0.423363 0.947893 H\n0.754227 0.515824 0.504199 H\n0.245860 0.984211 0.004230 H\n0.245786 0.484185 0.495820 H\n0.755046 0.015010 0.995313 H\n0.456756 0.668490 0.950637 H\n0.543247 0.829772 0.450188 H\n0.543160 0.329624 0.049898 H\n0.456763 0.170284 0.549861 H\n0.775224 0.574339 0.655886 H\n0.224968 0.925783 0.155942 H\n0.224718 0.425561 0.344133 H\n0.775168 0.074161 0.844016 H\n0.752939 0.289089 0.689814 O\n0.246990 0.211036 0.189706 O\n0.247146 0.710966 0.310222 O\n0.753230 0.788886 0.810967 O\n0.953969 0.069229 0.719242 O\n0.045630 0.430655 0.219485 O\n0.046036 0.930851 0.280664 O\n0.953848 0.569180 0.780492 O\n0.756809 0.439518 0.453109 O\n0.243072 0.060523 0.953137 O\n0.243241 0.560484 0.546908 O\n0.754913 0.939138 0.046856 O\n0.930591 0.659990 0.137669 O\n0.070632 0.840109 0.637382 O\n0.070598 0.340097 0.862377 O\n0.929362 0.160161 0.362321 O\n0.949159 0.198324 0.561570 O\n0.050184 0.302068 0.061633 O\n0.050751 0.801729 0.438322 O\n0.953440 0.698721 0.938364 O\n0.755244 0.643991 0.603880 O\n0.244718 0.856531 0.103728 O\n0.244812 0.356102 0.396202 O\n0.755478 0.143185 0.896376 O\n0.748258 0.985315 0.279240 O\n0.251721 0.514688 0.779297 O\n0.251782 0.014967 0.720474 O\n0.748088 0.486080 0.220063 O\n0.447701 0.335265 0.871825 O\n0.552294 0.164609 0.371792 O\n0.549030 0.664939 0.128511 O\n0.447695 0.835557 0.627927 O\n0.060558 0.352272 0.694730 O\n0.939523 0.147513 0.194655 O\n0.939448 0.647802 0.305143 O\n0.060625 0.852455 0.804807 O\n0.745213 0.939230 0.487317 O\n0.255214 0.560472 0.987498 O\n0.254827 0.060838 0.512696 O\n0.743194 0.437650 0.012921 O\n0.569100 0.707459 0.931075 O\n0.429403 0.793609 0.431192 O\n0.429379 0.293504 0.068981 O\n0.570570 0.206521 0.568848 O\n0.561339 0.074276 0.716830 O\n0.438885 0.425412 0.217229 O\n0.438854 0.925621 0.283156 O\n0.561375 0.574111 0.783214 O\n0.454709 0.341688 0.697291 O\n0.545106 0.158152 0.197298 O\n0.545335 0.658262 0.302963 O\n0.454895 0.841591 0.802291 O\n",
"nsites": 104,
"nelements": 6,
"elements": [
"Mg",
"Co",
"B",
"P",
"H",
"O"
],
"chemical_system": "B-Co-H-Mg-O-P",
"density": 2.252064681251642,
"density_atomic": 0.10602284606107443,
"volume": 980.9206587426528,
"volume_molar": 5.680040655134788,
"formula_full": "Mg3 Co1 B8 P8 H32 O52",
"formula_reduced": "Mg3CoB8P8(H8O13)4",
"formula_anonymous": "AB3C8D8E32F52",
"energy": -691.98105216,
"energy_per_atom": -6.653663963076923,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
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"formation_energy_per_atom": null,
"energy_uncorrected": -654.61905216,
"band_gap": 3.5011,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.999985,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:12.873000Z",
"spacegroup": 1
},
{
"id": "mp-1197049",
"created_at": "2022-09-04T14:41:02.330226Z",
"structure_string": "Cd2 H16 C4 S4 N12 O12\n1.0\n4.453742 0.000000 0.000000\n0.000000 12.248889 0.000000\n-1.998720 0.000000 11.393255\nCd H C S N O\n2 16 4 4 12 12\ndirect\n0.500000 0.500000 0.000000 Cd\n0.500000 0.000000 0.500000 Cd\n0.994457 0.279180 0.327168 H\n0.994457 0.220820 0.827168 H\n0.005543 0.720820 0.672832 H\n0.005543 0.779180 0.172832 H\n0.151713 0.311444 0.201728 H\n0.151713 0.188556 0.701728 H\n0.848287 0.688556 0.798272 H\n0.848287 0.811444 0.298272 H\n0.740239 0.414203 0.416361 H\n0.740239 0.085797 0.916361 H\n0.259761 0.585797 0.583639 H\n0.259761 0.914203 0.083639 H\n0.698586 0.544441 0.353996 H\n0.698586 0.955559 0.853996 H\n0.301414 0.455559 0.646004 H\n0.301414 0.044441 0.146004 H\n0.921670 0.435582 0.265638 C\n0.921670 0.064418 0.765638 C\n0.078330 0.564418 0.734362 C\n0.078330 0.935582 0.234362 C\n0.969702 0.529413 0.156525 S\n0.969702 0.970587 0.656525 S\n0.030298 0.470587 0.843475 S\n0.030298 0.029413 0.343475 S\n0.035200 0.334829 0.266040 N\n0.035200 0.165171 0.766040 N\n0.964800 0.665171 0.733960 N\n0.964800 0.834829 0.233960 N\n0.778616 0.466832 0.351485 N\n0.778616 0.033168 0.851485 N\n0.221384 0.533168 0.648515 N\n0.221384 0.966832 0.148515 N\n0.543678 0.249702 0.027041 N\n0.543678 0.250298 0.527041 N\n0.456322 0.750298 0.972959 N\n0.456322 0.749702 0.472959 N\n0.694179 0.284891 0.951826 O\n0.694179 0.215109 0.451826 O\n0.305821 0.715109 0.048174 O\n0.305821 0.784891 0.548174 O\n0.397999 0.318544 0.080331 O\n0.397999 0.181456 0.580331 O\n0.602001 0.681456 0.919669 O\n0.602001 0.818544 0.419669 O\n0.533650 0.149256 0.049530 O\n0.533650 0.350744 0.549530 O\n0.466350 0.850744 0.950470 O\n0.466350 0.649256 0.450470 O\n",
"nsites": 50,
"nelements": 6,
"elements": [
"Cd",
"H",
"C",
"S",
"N",
"O"
],
"chemical_system": "C-Cd-H-N-O-S",
"density": 2.0767402648315967,
"density_atomic": 0.08044525492899024,
"volume": 621.5406992511299,
"volume_molar": 7.486011157918262,
"formula_full": "Cd2 H16 C4 S4 N12 O12",
"formula_reduced": "CdH8C2S2(NO)6",
"formula_anonymous": "AB2C2D6E6F8",
"energy": -302.03551768,
"energy_per_atom": -6.0407103536,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -287.44751768,
"band_gap": 3.0108,
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"total_magnetization": 0.0304322,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:58.889000Z",
"spacegroup": 14
},
{
"id": "mp-1198652",
"created_at": "2022-09-04T14:41:06.608804Z",
"structure_string": "Te4 H72 C36 S24 N12 Cl4\n1.0\n9.454016 0.000000 0.000000\n0.000000 14.614235 0.000000\n0.000000 0.000000 15.633955\nTe H C S N Cl\n4 72 36 24 12 4\ndirect\n0.665759 0.997052 0.028344 Te\n0.334241 0.497052 0.971656 Te\n0.834241 0.497052 0.528344 Te\n0.165759 0.997052 0.471656 Te\n0.984195 0.668485 0.194253 H\n0.015805 0.168485 0.805747 H\n0.515805 0.168485 0.694253 H\n0.484195 0.668485 0.305747 H\n0.853288 0.748333 0.230754 H\n0.146712 0.248333 0.769246 H\n0.646712 0.248333 0.730754 H\n0.353288 0.748333 0.269246 H\n0.033398 0.757633 0.266129 H\n0.966602 0.257633 0.733871 H\n0.466602 0.257633 0.766129 H\n0.533398 0.757633 0.233871 H\n0.136119 0.767171 0.036200 H\n0.863881 0.267171 0.963800 H\n0.363881 0.267171 0.536200 H\n0.636119 0.767171 0.463800 H\n0.199581 0.852116 0.109357 H\n0.800419 0.352116 0.890643 H\n0.300419 0.352116 0.609357 H\n0.699581 0.852116 0.390643 H\n0.191976 0.734959 0.140634 H\n0.808024 0.234959 0.859366 H\n0.308024 0.234959 0.640634 H\n0.691976 0.734959 0.359366 H\n0.057398 0.119662 0.003580 H\n0.942602 0.619662 0.996420 H\n0.442602 0.619662 0.503580 H\n0.557398 0.119662 0.496420 H\n0.110026 0.216302 0.064975 H\n0.889974 0.716302 0.935025 H\n0.389974 0.716302 0.564975 H\n0.610026 0.216302 0.435025 H\n0.215694 0.182141 0.975779 H\n0.784306 0.682141 0.024221 H\n0.284306 0.682141 0.475779 H\n0.715694 0.182141 0.524221 H\n0.229162 0.035990 0.206952 H\n0.770838 0.535990 0.793048 H\n0.270838 0.535990 0.706952 H\n0.729162 0.035990 0.293048 H\n0.120449 0.135152 0.195986 H\n0.879551 0.635152 0.804014 H\n0.379551 0.635152 0.695986 H\n0.620449 0.135152 0.304014 H\n0.065225 0.030374 0.148393 H\n0.934775 0.530374 0.851607 H\n0.434775 0.530374 0.648393 H\n0.565225 0.030374 0.351607 H\n0.777327 0.932336 0.686012 H\n0.222673 0.432336 0.313988 H\n0.722673 0.432336 0.186012 H\n0.277327 0.932336 0.813988 H\n0.620551 0.999831 0.679416 H\n0.379449 0.499831 0.320584 H\n0.879449 0.499831 0.179416 H\n0.120551 0.999831 0.820584 H\n0.625681 0.888955 0.631392 H\n0.374319 0.388955 0.368608 H\n0.874319 0.388955 0.131392 H\n0.125681 0.888955 0.868608 H\n0.511273 0.788965 0.687710 H\n0.488727 0.288965 0.312290 H\n0.988727 0.288965 0.187710 H\n0.011273 0.788965 0.812290 H\n0.568526 0.745472 0.788537 H\n0.431474 0.245472 0.211463 H\n0.931474 0.245472 0.288537 H\n0.068526 0.745472 0.711463 H\n0.414751 0.815374 0.783004 H\n0.585249 0.315374 0.216996 H\n0.085249 0.315374 0.283004 H\n0.914751 0.815374 0.716996 H\n0.964115 0.740158 0.211971 C\n0.035885 0.240158 0.788029 C\n0.535885 0.240158 0.711971 C\n0.464115 0.740158 0.288029 C\n0.138617 0.788411 0.103587 C\n0.861383 0.288411 0.896413 C\n0.361383 0.288411 0.603587 C\n0.638617 0.788411 0.396413 C\n0.149562 0.157468 0.028270 C\n0.850438 0.657468 0.971730 C\n0.350438 0.657468 0.528270 C\n0.649562 0.157468 0.471730 C\n0.157806 0.072806 0.163950 C\n0.842194 0.572806 0.836050 C\n0.342194 0.572806 0.663950 C\n0.657806 0.072806 0.336050 C\n0.661141 0.929685 0.686004 C\n0.338859 0.429685 0.313996 C\n0.838859 0.429685 0.186004 C\n0.161141 0.929685 0.813996 C\n0.520663 0.804452 0.755842 C\n0.479337 0.304452 0.244158 C\n0.979337 0.304452 0.255842 C\n0.020663 0.804452 0.744158 C\n0.902988 0.859122 0.105412 C\n0.097012 0.359122 0.894588 C\n0.597012 0.359122 0.605412 C\n0.402988 0.859122 0.394588 C\n0.359199 0.066083 0.064137 C\n0.640801 0.566083 0.935863 C\n0.140801 0.566083 0.564137 C\n0.859199 0.066083 0.435863 C\n0.634230 0.923452 0.841508 C\n0.365770 0.423452 0.158492 C\n0.865770 0.423452 0.341508 C\n0.134230 0.923452 0.658492 C\n0.737230 0.873623 0.151142 S\n0.262770 0.373623 0.848858 S\n0.762770 0.373623 0.651142 S\n0.237230 0.873623 0.348858 S\n0.944378 0.921612 0.016263 S\n0.055622 0.421612 0.983737 S\n0.555622 0.421612 0.516263 S\n0.444378 0.921612 0.483737 S\n0.445589 0.990442 0.131960 S\n0.554411 0.490442 0.868040 S\n0.054411 0.490442 0.631960 S\n0.945589 0.990442 0.368040 S\n0.443374 0.096628 0.971272 S\n0.556626 0.596628 0.028728 S\n0.056626 0.596628 0.471272 S\n0.943374 0.096628 0.528728 S\n0.571408 0.865558 0.930908 S\n0.428592 0.365558 0.069092 S\n0.928592 0.365558 0.430908 S\n0.071408 0.865558 0.569092 S\n0.726392 0.023691 0.851645 S\n0.273608 0.523691 0.148355 S\n0.773608 0.523691 0.351645 S\n0.226392 0.023691 0.648355 S\n0.995660 0.799253 0.138846 N\n0.004340 0.299253 0.861154 N\n0.504340 0.299253 0.638846 N\n0.495660 0.799253 0.361154 N\n0.230904 0.098248 0.085059 N\n0.769096 0.598248 0.914941 N\n0.269096 0.598248 0.585059 N\n0.730904 0.098248 0.414941 N\n0.607733 0.886955 0.764394 N\n0.392267 0.386955 0.235606 N\n0.892267 0.386955 0.264394 N\n0.107733 0.886955 0.735606 N\n0.755495 0.145847 0.103221 Cl\n0.244505 0.645847 0.896779 Cl\n0.744505 0.645847 0.603221 Cl\n0.255495 0.145847 0.396779 Cl\n",
"nsites": 152,
"nelements": 6,
"elements": [
"Te",
"H",
"C",
"S",
"N",
"Cl"
],
"chemical_system": "C-Cl-H-N-S-Te",
"density": 1.6103946143478394,
"density_atomic": 0.07036915091455033,
"volume": 2160.0374315241415,
"volume_molar": 8.557927275991608,
"formula_full": "Te4 H72 C36 S24 N12 Cl4",
"formula_reduced": "TeH18C9S6N3Cl",
"formula_anonymous": "ABC3D6E9F18",
"energy": -830.82231021,
"energy_per_atom": -5.465936251381579,
"energy_above_hull": null,
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"formation_energy": null,
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"energy_uncorrected": -810.27431021,
"band_gap": 2.8664,
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"total_magnetization": 0.0927361,
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"updated_at": "2021-11-28T01:34:59.042000Z",
"spacegroup": 33
},
{
"id": "mp-1233636",
"created_at": "2022-09-04T14:41:09.785172Z",
"structure_string": "Sr2 Mg1 Zn2 Sn2 P4 O16\n1.0\n5.314331 0.623539 -1.043143\n-0.780281 7.673504 -2.720983\n0.216016 -0.092669 9.868805\nSr Mg Zn Sn P O\n2 1 2 2 4 16\ndirect\n0.145743 0.736383 0.031729 Sr\n0.856547 0.243556 0.998109 Sr\n0.089299 0.723900 0.700864 Mg\n0.985194 0.269796 0.582686 Zn\n0.914078 0.659929 0.363537 Zn\n0.524863 0.855060 0.481951 Sn\n0.387045 0.208225 0.464750 Sn\n0.390154 0.451481 0.246387 P\n0.636935 0.548854 0.775420 P\n0.759487 0.963754 0.241163 P\n0.251556 0.044053 0.771876 P\n0.767463 0.511805 0.911364 O\n0.671787 0.464607 0.242428 O\n0.776479 0.694187 0.754697 O\n0.039937 0.172184 0.742839 O\n0.355730 0.591840 0.780249 O\n0.248127 0.876563 0.624782 O\n0.762721 0.125795 0.388751 O\n0.161960 0.963002 0.876120 O\n0.332680 0.284113 0.275271 O\n0.821820 0.013654 0.116220 O\n0.228222 0.455589 0.104882 O\n0.303104 0.612150 0.378093 O\n0.655947 0.384070 0.629342 O\n0.504346 0.878531 0.215402 O\n0.969899 0.830802 0.268936 O\n0.506496 0.121299 0.813403 O\n",
"nsites": 27,
"nelements": 6,
"elements": [
"Sr",
"Mg",
"Zn",
"Sn",
"P",
"O"
],
"chemical_system": "Mg-O-P-Sn-Sr-Zn",
"density": 3.864596171784054,
"density_atomic": 0.06630745583789364,
"volume": 407.1940275616778,
"volume_molar": 9.082147224473124,
"formula_full": "Sr2 Mg1 Zn2 Sn2 P4 O16",
"formula_reduced": "Sr2MgZn2Sn2(PO4)4",
"formula_anonymous": "AB2C2D2E4F16",
"energy": -185.65826763,
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"energy_uncorrected": -174.66626763,
"band_gap": 0.9307000000000004,
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"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:20.974000Z",
"spacegroup": 1
},
{
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"elements": [
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],
"chemical_system": "H-N-Na-O-Ru-S",
"density": 2.1193005048181326,
"density_atomic": 0.09512101575171712,
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"volume_molar": 6.331030753202706,
"formula_full": "Na8 H40 Ru2 S8 N4 O36",
"formula_reduced": "Na4H20RuS4(NO9)2",
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"updated_at": "2021-11-28T01:35:15.766000Z",
"spacegroup": 14
},
{
"id": "mp-1201000",
"created_at": "2022-09-04T14:41:03.016297Z",
"structure_string": "In8 H80 C16 Se8 Cl24 O16\n1.0\n10.855201 0.000000 0.000000\n0.000000 11.177896 0.000000\n0.000000 0.000000 17.705000\nIn H C Se Cl O\n8 80 16 8 24 16\ndirect\n0.247325 0.482291 0.681408 In\n0.747325 0.517709 0.818592 In\n0.752675 0.017709 0.181408 In\n0.252675 0.982291 0.318592 In\n0.752675 0.517709 0.318592 In\n0.252675 0.482291 0.181408 In\n0.247325 0.982291 0.818592 In\n0.747325 0.017709 0.681408 In\n0.059880 0.369343 0.778870 H\n0.559880 0.630657 0.721130 H\n0.940120 0.130657 0.278870 H\n0.440120 0.869343 0.221130 H\n0.940120 0.630657 0.221130 H\n0.440120 0.369343 0.278870 H\n0.059880 0.869343 0.721130 H\n0.559880 0.130657 0.778870 H\n0.134029 0.265052 0.735290 H\n0.634029 0.734948 0.764710 H\n0.865971 0.234948 0.235290 H\n0.365971 0.765052 0.264710 H\n0.865971 0.734948 0.264710 H\n0.365971 0.265052 0.235290 H\n0.134029 0.765052 0.764710 H\n0.634029 0.234948 0.735290 H\n0.164498 0.457714 0.464984 H\n0.664498 0.542286 0.035016 H\n0.835502 0.042286 0.964984 H\n0.335502 0.957714 0.535016 H\n0.835502 0.542286 0.535016 H\n0.335502 0.457714 0.964984 H\n0.164498 0.957714 0.035016 H\n0.664498 0.042286 0.464984 H\n0.297314 0.381357 0.427883 H\n0.797314 0.618643 0.072117 H\n0.702686 0.118643 0.927883 H\n0.202686 0.881357 0.572117 H\n0.702686 0.618643 0.572117 H\n0.202686 0.381357 0.927883 H\n0.297314 0.881357 0.072117 H\n0.797314 0.118643 0.427883 H\n0.317297 0.509402 0.488900 H\n0.817297 0.490598 0.011100 H\n0.682703 0.990598 0.988900 H\n0.182703 0.009402 0.511100 H\n0.682703 0.490598 0.511100 H\n0.182703 0.509402 0.988900 H\n0.317297 0.009402 0.011100 H\n0.817297 0.990598 0.488900 H\n0.446853 0.209044 0.602671 H\n0.946853 0.790956 0.897329 H\n0.553147 0.290956 0.102671 H\n0.053147 0.709044 0.397329 H\n0.553147 0.790956 0.397329 H\n0.053147 0.209044 0.102671 H\n0.446853 0.709044 0.897329 H\n0.946853 0.290956 0.602671 H\n0.455103 0.248480 0.503890 H\n0.955103 0.751520 0.996110 H\n0.544897 0.251520 0.003890 H\n0.044897 0.748480 0.496110 H\n0.544897 0.751520 0.496110 H\n0.044897 0.248480 0.003890 H\n0.455103 0.748480 0.996110 H\n0.955103 0.251520 0.503890 H\n0.487458 0.359972 0.575550 H\n0.987458 0.640028 0.924450 H\n0.512542 0.140028 0.075550 H\n0.012542 0.859972 0.424450 H\n0.512542 0.640028 0.424450 H\n0.012542 0.359972 0.075550 H\n0.487458 0.859972 0.924450 H\n0.987458 0.140028 0.575550 H\n0.366354 0.273567 0.747644 H\n0.866354 0.726433 0.752356 H\n0.633646 0.226433 0.247644 H\n0.133646 0.773567 0.252356 H\n0.633646 0.726433 0.252356 H\n0.133646 0.273567 0.247644 H\n0.366354 0.773567 0.752356 H\n0.866354 0.226433 0.747644 H\n0.435912 0.382993 0.786608 H\n0.935912 0.617007 0.713392 H\n0.564088 0.117007 0.286608 H\n0.064088 0.882993 0.213392 H\n0.564088 0.617007 0.213392 H\n0.064088 0.382993 0.286608 H\n0.435912 0.882993 0.713392 H\n0.935912 0.117007 0.786608 H\n0.433959 0.280305 0.560951 C\n0.933959 0.719695 0.939049 C\n0.566041 0.219695 0.060951 C\n0.066041 0.780305 0.439049 C\n0.566041 0.719695 0.439049 C\n0.066041 0.280305 0.060951 C\n0.433959 0.780305 0.939049 C\n0.933959 0.219695 0.560951 C\n0.260044 0.431554 0.475832 C\n0.760044 0.568446 0.024168 C\n0.739956 0.068446 0.975832 C\n0.239956 0.931554 0.524168 C\n0.739956 0.568446 0.524168 C\n0.239956 0.431554 0.975832 C\n0.260044 0.931554 0.024168 C\n0.760044 0.068446 0.475832 C\n0.257906 0.320301 0.561669 Se\n0.757906 0.679699 0.938331 Se\n0.742094 0.179699 0.061669 Se\n0.242094 0.820301 0.438331 Se\n0.742094 0.679699 0.438331 Se\n0.242094 0.320301 0.061669 Se\n0.257906 0.820301 0.938331 Se\n0.757906 0.179699 0.561669 Se\n0.423347 0.603238 0.631826 Cl\n0.923347 0.396762 0.868174 Cl\n0.576653 0.896762 0.131826 Cl\n0.076653 0.103238 0.368174 Cl\n0.576653 0.396762 0.368174 Cl\n0.076653 0.603238 0.131826 Cl\n0.423347 0.103238 0.868174 Cl\n0.923347 0.896762 0.631826 Cl\n0.237203 0.606303 0.798715 Cl\n0.737203 0.393697 0.701285 Cl\n0.762797 0.893697 0.298715 Cl\n0.262797 0.106303 0.201285 Cl\n0.762797 0.393697 0.201285 Cl\n0.262797 0.606303 0.298715 Cl\n0.237203 0.106303 0.701285 Cl\n0.737203 0.893697 0.798715 Cl\n0.066979 0.584472 0.621838 Cl\n0.566979 0.415528 0.878162 Cl\n0.933021 0.915528 0.121838 Cl\n0.433021 0.084472 0.378162 Cl\n0.933021 0.415528 0.378162 Cl\n0.433021 0.584472 0.121838 Cl\n0.066979 0.084472 0.878162 Cl\n0.566979 0.915528 0.621838 Cl\n0.107698 0.349797 0.732700 O\n0.607698 0.650203 0.767300 O\n0.892302 0.150203 0.232700 O\n0.392302 0.849797 0.267300 O\n0.892302 0.650203 0.267300 O\n0.392302 0.349797 0.232700 O\n0.107698 0.849797 0.767300 O\n0.607698 0.150203 0.732700 O\n0.388906 0.358071 0.741064 O\n0.888906 0.641929 0.758936 O\n0.611094 0.141929 0.241064 O\n0.111094 0.858071 0.258936 O\n0.611094 0.641929 0.258936 O\n0.111094 0.358071 0.241064 O\n0.388906 0.858071 0.758936 O\n0.888906 0.141929 0.741064 O\n",
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"formula_full": "In8 H80 C16 Se8 Cl24 O16",
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}
]
}