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{
"count": 146323,
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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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"Te",
"H",
"S",
"O",
"F"
],
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"density": 3.29927704460107,
"density_atomic": 0.07516287868931579,
"volume": 691.8308732551467,
"volume_molar": 8.012120963185026,
"formula_full": "Na8 Te4 H4 S4 O20 F12",
"formula_reduced": "Na2TeHSO5F3",
"formula_anonymous": "ABCD2E3F5",
"energy": -286.7072372,
"energy_per_atom": -5.513600715384616,
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"band_gap": 3.4407,
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"updated_at": "2021-11-28T01:34:52.375000Z",
"spacegroup": 14
},
{
"id": "mp-1201024",
"created_at": "2022-09-04T14:42:59.693383Z",
"structure_string": "Sb8 H4 C4 S4 Cl24 O20 F12\n1.0\n10.021826 0.000000 0.000000\n0.000000 9.624809 0.000000\n0.000000 5.558286 17.353246\nSb H C S Cl O F\n8 4 4 4 24 20 12\ndirect\n0.719126 0.223900 0.539887 Sb\n0.780874 0.223900 0.039887 Sb\n0.280874 0.776100 0.460113 Sb\n0.219126 0.776100 0.960113 Sb\n0.952853 0.142984 0.667926 Sb\n0.547147 0.142984 0.167926 Sb\n0.047147 0.857016 0.332074 Sb\n0.452853 0.857016 0.832074 Sb\n0.991660 0.269270 0.505984 H\n0.508340 0.269270 0.005984 H\n0.008340 0.730730 0.494016 H\n0.491660 0.730730 0.994016 H\n0.713677 0.531876 0.679547 C\n0.786323 0.531876 0.179547 C\n0.286323 0.468124 0.320453 C\n0.213677 0.468124 0.820453 C\n0.836764 0.503209 0.606911 S\n0.663236 0.503209 0.106911 S\n0.163236 0.496791 0.393089 S\n0.336764 0.496791 0.893089 S\n0.936480 0.116514 0.798890 Cl\n0.563520 0.116514 0.298890 Cl\n0.063520 0.883486 0.201110 Cl\n0.436480 0.883486 0.701110 Cl\n0.736737 0.357654 0.409547 Cl\n0.763263 0.357654 0.909547 Cl\n0.263263 0.642346 0.590453 Cl\n0.236737 0.642346 0.090453 Cl\n0.177981 0.208040 0.651263 Cl\n0.322019 0.208040 0.151263 Cl\n0.822019 0.791960 0.348737 Cl\n0.677981 0.791960 0.848737 Cl\n0.695678 0.997150 0.519920 Cl\n0.804322 0.997150 0.019920 Cl\n0.304322 0.002850 0.480080 Cl\n0.195678 0.002850 0.980080 Cl\n0.494528 0.272052 0.556167 Cl\n0.005472 0.272052 0.056167 Cl\n0.505472 0.727948 0.443833 Cl\n0.994528 0.727948 0.943833 Cl\n0.983120 0.899060 0.675725 Cl\n0.516880 0.899060 0.175725 Cl\n0.016880 0.100940 0.324275 Cl\n0.483120 0.100940 0.824275 Cl\n0.757365 0.151796 0.651736 O\n0.742635 0.151796 0.151736 O\n0.242635 0.848204 0.348264 O\n0.257365 0.848204 0.848264 O\n0.929185 0.210680 0.546137 O\n0.570815 0.210680 0.046137 O\n0.070815 0.789320 0.453863 O\n0.429185 0.789320 0.953863 O\n0.754254 0.450307 0.552996 O\n0.745746 0.450307 0.052996 O\n0.245746 0.549693 0.447004 O\n0.254254 0.549693 0.947004 O\n0.931229 0.391012 0.652571 O\n0.568771 0.391012 0.152571 O\n0.068771 0.608988 0.347429 O\n0.431229 0.608988 0.847429 O\n0.896215 0.644203 0.571685 O\n0.603785 0.644203 0.071685 O\n0.103785 0.355797 0.428315 O\n0.396215 0.355797 0.928315 O\n0.653352 0.404819 0.716361 F\n0.846648 0.404819 0.216361 F\n0.346648 0.595181 0.283639 F\n0.153352 0.595181 0.783639 F\n0.621884 0.630238 0.642785 F\n0.878116 0.630238 0.142785 F\n0.378116 0.369762 0.357215 F\n0.121884 0.369762 0.857215 F\n0.779804 0.581475 0.730872 F\n0.720196 0.581475 0.230872 F\n0.220196 0.418525 0.269128 F\n0.279804 0.418525 0.769128 F\n",
"nsites": 76,
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"elements": [
"Sb",
"H",
"C",
"S",
"Cl",
"O",
"F"
],
"chemical_system": "C-Cl-F-H-O-S-Sb",
"density": 2.532932723638989,
"density_atomic": 0.0454039765597583,
"volume": 1673.8621979502796,
"volume_molar": 13.263465485394166,
"formula_full": "Sb8 H4 C4 S4 Cl24 O20 F12",
"formula_reduced": "Sb2HCSCl6O5F3",
"formula_anonymous": "ABCD2E3F5G6",
"energy": -381.83935597,
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"band_gap": 2.5456000000000003,
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"updated_at": "2021-11-28T01:36:03.499000Z",
"spacegroup": 14
},
{
"id": "mp-1194606",
"created_at": "2022-09-04T14:48:21.021036Z",
"structure_string": "H24 Pb4 C12 S8 I4 N4\n1.0\n0.000000 -8.466718 0.000000\n-9.708203 0.000000 4.802343\n-0.007275 0.000000 -11.812941\nH Pb C S I N\n24 4 12 8 4 4\ndirect\n0.069660 0.148359 0.982815 H\n0.569660 0.851641 0.517185 H\n0.930340 0.851641 0.017185 H\n0.430340 0.148359 0.482815 H\n0.079154 0.970173 0.868803 H\n0.579154 0.029827 0.631197 H\n0.920846 0.029827 0.131197 H\n0.420846 0.970173 0.368803 H\n0.247208 0.079532 0.895714 H\n0.747208 0.920468 0.604286 H\n0.752792 0.920468 0.104286 H\n0.252792 0.079532 0.395714 H\n0.078213 0.053009 0.598294 H\n0.578213 0.946991 0.901706 H\n0.921787 0.946991 0.401706 H\n0.421787 0.053009 0.098294 H\n0.252377 0.022792 0.667377 H\n0.752377 0.977208 0.832623 H\n0.747623 0.977208 0.332623 H\n0.247623 0.022792 0.167377 H\n0.083831 0.914068 0.642719 H\n0.583831 0.085932 0.857281 H\n0.916169 0.085932 0.357281 H\n0.416169 0.914068 0.142719 H\n0.766157 0.493189 0.878624 Pb\n0.266157 0.506811 0.621376 Pb\n0.233843 0.506811 0.121376 Pb\n0.733843 0.493189 0.378624 Pb\n0.977064 0.224253 0.816070 C\n0.477064 0.775747 0.683930 C\n0.022936 0.775747 0.183930 C\n0.522936 0.224253 0.316070 C\n0.117507 0.075621 0.891461 C\n0.617507 0.924379 0.608539 C\n0.882493 0.924379 0.108539 C\n0.382493 0.075621 0.391461 C\n0.122659 0.019846 0.667300 C\n0.622659 0.980154 0.832700 C\n0.877341 0.980154 0.332700 C\n0.377341 0.019846 0.167300 C\n0.910700 0.326001 0.968957 S\n0.410700 0.673999 0.531043 S\n0.089300 0.673999 0.031043 S\n0.589300 0.326001 0.468957 S\n0.926269 0.267213 0.696913 S\n0.426269 0.732787 0.803087 S\n0.073731 0.732787 0.303087 S\n0.573731 0.267213 0.196913 S\n0.573787 0.653524 0.181503 I\n0.073787 0.346476 0.318497 I\n0.426213 0.346476 0.818497 I\n0.926213 0.653524 0.681503 I\n0.064650 0.112420 0.792792 N\n0.564650 0.887580 0.707208 N\n0.935350 0.887580 0.207208 N\n0.435350 0.112420 0.292792 N\n",
"nsites": 56,
"nelements": 6,
"elements": [
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"C",
"S",
"I",
"N"
],
"chemical_system": "C-H-I-N-Pb-S",
"density": 3.10690197741298,
"density_atomic": 0.05765590110910108,
"volume": 971.2795901677497,
"volume_molar": 10.44496858804518,
"formula_full": "H24 Pb4 C12 S8 I4 N4",
"formula_reduced": "H6PbC3S2IN",
"formula_anonymous": "ABCD2E3F6",
"energy": -296.27531796,
"energy_per_atom": -5.290630677857143,
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"updated_at": "2021-11-28T01:39:31.854000Z",
"spacegroup": 14
},
{
"id": "mp-1248231",
"created_at": "2022-09-04T14:39:33.751477Z",
"structure_string": "Al8 Si16 H8 C48 N8 Cl24\n1.0\n16.480171 0.000000 0.000000\n0.000000 9.105518 0.000000\n0.000000 0.000000 17.609406\nAl Si H C N Cl\n8 16 8 48 8 24\ndirect\n0.850445 0.017482 0.913280 Al\n0.350445 0.482518 0.086720 Al\n0.149555 0.517482 0.586720 Al\n0.649555 0.982518 0.413280 Al\n0.149555 0.982518 0.086720 Al\n0.649555 0.517482 0.913280 Al\n0.850445 0.482518 0.413280 Al\n0.350445 0.017482 0.586720 Al\n0.090845 0.161789 0.815488 Si\n0.590845 0.338211 0.184512 Si\n0.909155 0.661789 0.684512 Si\n0.409155 0.838211 0.315488 Si\n0.909155 0.838211 0.184512 Si\n0.409155 0.661789 0.815488 Si\n0.090845 0.338211 0.315488 Si\n0.590845 0.161789 0.684512 Si\n0.889057 0.379971 0.929394 Si\n0.389057 0.120029 0.070606 Si\n0.110943 0.879971 0.570606 Si\n0.610943 0.620029 0.429394 Si\n0.110943 0.620029 0.070606 Si\n0.610943 0.879971 0.929394 Si\n0.889057 0.120029 0.429394 Si\n0.389057 0.379971 0.570606 Si\n0.921008 0.178066 0.992359 H\n0.421008 0.321934 0.007641 H\n0.078992 0.678066 0.507641 H\n0.578992 0.821934 0.492359 H\n0.078992 0.821934 0.007641 H\n0.578992 0.678066 0.992359 H\n0.921008 0.321934 0.492359 H\n0.421008 0.178066 0.507641 H\n0.159887 -0.000067 0.782657 C\n0.659887 0.500067 0.217343 C\n0.840113 0.499933 0.717343 C\n0.340113 1.000067 0.282657 C\n0.840113 1.000067 0.217343 C\n0.340113 0.499933 0.782657 C\n0.159887 0.500067 0.282657 C\n0.659887 -0.000067 0.717343 C\n0.100907 0.025360 0.728097 C\n0.600907 0.474640 0.271903 C\n0.899093 0.525360 0.771903 C\n0.399093 0.974640 0.228097 C\n0.899093 0.974640 0.271903 C\n0.399093 0.525360 0.728097 C\n0.100907 0.474640 0.228097 C\n0.600907 0.025360 0.771903 C\n0.977507 0.486816 0.966646 C\n0.477507 0.013184 0.033354 C\n0.022493 0.986816 0.533354 C\n0.522493 0.513184 0.466646 C\n0.022493 0.513184 0.033354 C\n0.522493 0.986816 0.966646 C\n0.977507 0.013184 0.466646 C\n0.477507 0.486816 0.533354 C\n0.921289 0.485492 0.842487 C\n0.421289 0.014508 0.157513 C\n0.078711 0.985492 0.657513 C\n0.578711 0.514508 0.342487 C\n0.078711 0.514508 0.157513 C\n0.578711 0.985492 0.842487 C\n0.921289 0.014508 0.342487 C\n0.421289 0.485492 0.657513 C\n0.185654 0.049598 0.848326 C\n0.685654 0.450402 0.151674 C\n0.814346 0.549598 0.651674 C\n0.314346 0.950402 0.348326 C\n0.814346 0.950402 0.151674 C\n0.314346 0.549598 0.848326 C\n0.185654 0.450402 0.348326 C\n0.685654 0.049598 0.651674 C\n0.982904 0.536024 0.893325 C\n0.482904 0.963976 0.106675 C\n0.017096 0.036024 0.606675 C\n0.517096 0.463976 0.393325 C\n0.017096 0.463976 0.106675 C\n0.517096 0.036024 0.893325 C\n0.982904 0.963976 0.393325 C\n0.482904 0.536024 0.606675 C\n0.884986 0.197653 0.945586 N\n0.384986 0.302347 0.054414 N\n0.115014 0.697653 0.554414 N\n0.615014 0.802347 0.445586 N\n0.115014 0.802347 0.054414 N\n0.615014 0.697653 0.945586 N\n0.884986 0.302347 0.445586 N\n0.384986 0.197653 0.554414 N\n0.919295 0.852775 0.969521 Cl\n0.419295 0.647225 0.030479 Cl\n0.080705 0.352775 0.530479 Cl\n0.580705 0.147225 0.469521 Cl\n0.080705 0.147225 0.030479 Cl\n0.580705 0.352775 0.969521 Cl\n0.919295 0.647225 0.469521 Cl\n0.419295 0.852775 0.530479 Cl\n0.838628 0.981461 0.794974 Cl\n0.338628 0.518539 0.205026 Cl\n0.161372 0.481461 0.705026 Cl\n0.661372 0.018539 0.294974 Cl\n0.161372 0.018539 0.205026 Cl\n0.661372 0.481461 0.794974 Cl\n0.838628 0.518539 0.294974 Cl\n0.338628 0.981461 0.705026 Cl\n0.721402 0.997288 0.970738 Cl\n0.221402 0.502712 0.029262 Cl\n0.278598 0.497288 0.529262 Cl\n0.778598 0.002712 0.470738 Cl\n0.278598 0.002712 0.029262 Cl\n0.778598 0.497288 0.970738 Cl\n0.721402 0.502712 0.470738 Cl\n0.221402 0.997288 0.529262 Cl\n",
"nsites": 112,
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"elements": [
"Al",
"Si",
"H",
"C",
"N",
"Cl"
],
"chemical_system": "Al-C-Cl-H-N-Si",
"density": 1.3904810539137955,
"density_atomic": 0.0423844883776666,
"volume": 2642.47615783456,
"volume_molar": 14.208360158414015,
"formula_full": "Al8 Si16 H8 C48 N8 Cl24",
"formula_reduced": "AlSi2HC6NCl3",
"formula_anonymous": "ABCD2E3F6",
"energy": -691.19085684,
"energy_per_atom": -6.171346936071429,
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"updated_at": "2021-11-28T01:34:32.262000Z",
"spacegroup": 61
},
{
"id": "mp-710380",
"created_at": "2022-09-04T14:43:23.702236Z",
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"formula_full": "Al8 Si16 H8 C48 N8 Cl24",
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},
{
"id": "mp-1192921",
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{
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"structure_string": "Ba4 Co4 H8 C12 Cl4 O32\n1.0\n0.000000 8.211594 0.000000\n-0.279104 0.000000 9.806654\n11.352820 4.105797 -2.364446\nBa Co H C Cl O\n4 4 8 12 4 32\ndirect\n0.711540 0.760673 0.203415 Ba\n0.914955 0.739327 0.796585 Ba\n0.288460 0.239327 0.796585 Ba\n0.085045 0.260673 0.203415 Ba\n0.506933 0.408537 0.289756 Co\n0.796689 0.091463 0.710244 Co\n0.493067 0.591463 0.710244 Co\n0.203311 0.908537 0.289756 Co\n0.525685 0.830335 0.016087 H\n0.541772 0.669665 0.983913 H\n0.474315 0.169665 0.983913 H\n0.458228 0.330335 0.016087 H\n0.103426 0.671583 0.971532 H\n0.074958 0.828417 0.028468 H\n0.896574 0.328417 0.028468 H\n0.925042 0.171583 0.971532 H\n0.491252 0.109254 0.254905 C\n0.746158 0.390746 0.745095 C\n0.508748 0.890746 0.745095 C\n0.253842 0.609254 0.254905 C\n0.613327 0.654459 0.452968 C\n0.066296 0.845541 0.547032 C\n0.386673 0.345541 0.547032 C\n0.933704 0.154459 0.452968 C\n0.682964 0.136788 0.238156 C\n0.921120 0.363212 0.761844 C\n0.317036 0.863212 0.761844 C\n0.078880 0.636788 0.238156 C\n0.653575 0.445233 0.084581 Cl\n0.738157 0.054767 0.915419 Cl\n0.346425 0.554767 0.915419 Cl\n0.261843 0.945233 0.084581 Cl\n0.713672 0.266450 0.255236 O\n0.968908 0.233550 0.744764 O\n0.286328 0.733550 0.744764 O\n0.031092 0.766450 0.255236 O\n0.796203 0.036732 0.207156 O\n0.003360 0.463268 0.792844 O\n0.203797 0.963268 0.792844 O\n0.996640 0.536732 0.207156 O\n0.620070 0.595401 0.533932 O\n0.154002 0.904599 0.466068 O\n0.379930 0.404599 0.466068 O\n0.845998 0.095401 0.533932 O\n0.609690 0.750000 0.000000 O\n0.390310 0.250000 0.000000 O\n0.011634 0.750000 0.000000 O\n0.988366 0.250000 0.000000 O\n0.445610 0.988177 0.267024 O\n0.712634 0.511823 0.732976 O\n0.554390 0.011823 0.732976 O\n0.287366 0.488177 0.267024 O\n0.398127 0.211034 0.253044 O\n0.651171 0.288966 0.746956 O\n0.601873 0.788966 0.746956 O\n0.348829 0.711034 0.253044 O\n0.596282 0.578599 0.355525 O\n0.951807 0.921401 0.644475 O\n0.403718 0.421401 0.644475 O\n0.048193 0.078599 0.355525 O\n0.631739 0.783493 0.456510 O\n0.088250 0.716507 0.543490 O\n0.368261 0.216507 0.543490 O\n0.911750 0.283493 0.456510 O\n",
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"formula_full": "Ba4 Co4 H8 C12 Cl4 O32",
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{
"id": "mp-556725",
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"structure_string": "Cu2 H16 C4 Br6 N2 O2\n1.0\n6.495136 0.000000 0.000000\n1.903919 8.208713 0.000000\n1.577471 3.014771 8.303984\nCu H C Br N O\n2 16 4 6 2 2\ndirect\n0.260885 0.067549 0.392045 Cu\n0.739115 0.932451 0.607955 Cu\n0.852754 0.198056 0.059539 H\n0.354774 0.629292 0.724350 H\n0.691313 0.534818 0.602969 H\n0.873848 0.467521 0.848135 H\n0.126152 0.532479 0.151865 H\n0.456276 0.635946 0.290011 H\n0.543724 0.364054 0.709989 H\n0.308687 0.465182 0.397031 H\n0.922941 0.293212 0.771262 H\n0.077059 0.706788 0.228738 H\n0.666811 0.155039 0.979566 H\n0.609103 0.321681 0.051994 H\n0.333189 0.844961 0.020434 H\n0.147246 0.801944 0.940461 H\n0.645226 0.370708 0.275650 H\n0.390897 0.678319 0.948006 H\n0.622304 0.460848 0.723090 C\n0.198935 0.627803 0.171496 C\n0.377696 0.539152 0.276910 C\n0.801065 0.372197 0.828504 C\n0.625967 0.909714 0.366561 Br\n0.919314 0.244944 0.437206 Br\n0.080686 0.755056 0.562794 Br\n0.374033 0.090286 0.633439 Br\n0.781545 0.885706 0.886966 Br\n0.218455 0.114294 0.113034 Br\n0.274759 0.745234 0.009976 N\n0.725241 0.254766 0.990024 N\n0.527729 0.426060 0.206561 O\n0.472271 0.573940 0.793439 O\n",
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"formula_full": "Cu2 H16 C4 Br6 N2 O2",
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{
"id": "mp-558541",
"created_at": "2022-09-04T14:43:35.249682Z",
"structure_string": "H18 C6 Se2 S2 N4 Cl2\n1.0\n5.693720 0.000000 0.000000\n1.772237 8.112794 0.000000\n1.314418 2.847839 8.657813\nH C Se S N Cl\n18 6 2 2 4 2\ndirect\n0.548042 0.045748 0.837455 H\n0.285897 0.856553 0.067416 H\n0.630177 0.646763 0.000928 H\n0.180794 0.092307 0.515327 H\n0.198025 0.197090 0.306500 H\n0.801975 0.802910 0.693500 H\n0.714103 0.143447 0.932584 H\n0.157973 0.505295 0.867092 H\n0.141560 0.276023 0.932834 H\n0.451958 0.954252 0.162545 H\n0.819206 0.907693 0.484673 H\n0.813925 0.135276 0.739550 H\n0.842027 0.494705 0.132908 H\n0.369823 0.353237 0.999072 H\n0.186075 0.864724 0.260450 H\n0.858440 0.723977 0.067166 H\n0.983884 0.688745 0.566308 H\n0.016116 0.311255 0.433692 H\n0.175154 0.215055 0.420194 C\n0.259915 0.372409 0.903636 C\n0.824846 0.784945 0.579806 C\n0.657051 0.145881 0.822323 C\n0.740085 0.627591 0.096364 C\n0.342949 0.854119 0.177677 C\n0.447383 0.310282 0.440390 Se\n0.552617 0.689718 0.559610 Se\n0.533195 0.650233 0.256340 S\n0.466805 0.349767 0.743660 S\n0.705845 0.644607 0.376632 N\n0.294155 0.355393 0.623368 N\n0.655665 0.476963 0.700325 N\n0.344335 0.523037 0.299675 N\n0.720365 0.156068 0.204921 Cl\n0.279635 0.843932 0.795079 Cl\n",
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{
"id": "mp-1196706",
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"structure_string": "Sb2 H4 C2 S2 O6 F18\n1.0\n7.660222 0.000000 0.000000\n0.717662 7.973355 0.000000\n2.622332 3.159291 8.321148\nSb H C S O F\n2 4 2 2 6 18\ndirect\n0.630706 0.898582 0.748914 Sb\n0.369294 0.101418 0.251086 Sb\n0.717414 0.264293 0.474122 H\n0.282586 0.735707 0.525878 H\n0.593900 0.682724 0.129992 H\n0.406100 0.317276 0.870008 H\n0.966274 0.674792 0.224839 C\n0.033726 0.325208 0.775161 C\n0.780120 0.515102 0.254032 S\n0.219880 0.484898 0.745968 S\n0.612422 0.635113 0.244301 O\n0.387578 0.364887 0.755699 O\n0.748950 0.406391 0.430304 O\n0.251050 0.593609 0.569696 O\n0.831318 0.427409 0.140543 O\n0.168682 0.572591 0.859457 O\n0.923195 0.741090 0.343394 F\n0.076805 0.258910 0.656606 F\n0.982488 0.806113 0.082189 F\n0.017512 0.193887 0.917811 F\n0.119272 0.580000 0.226859 F\n0.880728 0.420000 0.773141 F\n0.582836 0.717242 0.965208 F\n0.417164 0.282758 0.034792 F\n0.381349 0.960139 0.784587 F\n0.618651 0.039861 0.215413 F\n0.879405 0.833855 0.704882 F\n0.120595 0.166145 0.295118 F\n0.580391 0.731555 0.662731 F\n0.419609 0.268445 0.337269 F\n0.682674 0.072183 0.827976 F\n0.317326 0.927817 0.172024 F\n0.684240 0.090277 0.533142 F\n0.315760 0.909723 0.466858 F\n",
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