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"results": [
{
"id": "jvasp-32126",
"created_at": "2022-09-04T14:38:06.066275Z",
"updated_at": "2022-09-04T14:38:06.066301Z",
"structure_string": "Yb1 Mg16 Al12\n1.0\n7.477749 -4.317280 3.052779\n-0.000000 8.634562 3.052779\n-7.477749 -4.317280 3.052779\nYb Mg Al\n1 16 12\ndirect\n0.000000 0.000000 0.000000 Yb\n0.396168 0.396168 0.714749 Mg\n0.285253 0.681419 0.681421 Mg\n0.645776 0.645776 0.645776 Mg\n0.000000 0.318580 0.603831 Mg\n0.318580 0.999999 0.603832 Mg\n0.396168 0.714749 0.396168 Mg\n0.714749 0.396168 0.396168 Mg\n0.681420 0.285253 0.681420 Mg\n0.603832 0.999999 0.318580 Mg\n0.999999 0.603831 0.318580 Mg\n0.681421 0.681419 0.285253 Mg\n0.000000 0.354223 0.000000 Mg\n0.354223 0.000000 0.000000 Mg\n0.603831 0.318580 0.000000 Mg\n0.318580 0.603831 0.999999 Mg\n0.000000 0.000000 0.354223 Mg\n0.630542 0.999999 0.812509 Al\n0.999999 0.812508 0.630542 Al\n0.812509 0.999999 0.630542 Al\n0.369459 0.181967 0.369459 Al\n0.181967 0.369459 0.369459 Al\n0.630542 0.812508 0.999999 Al\n0.187491 0.818031 0.187491 Al\n0.369459 0.369459 0.181967 Al\n0.812509 0.630541 0.999999 Al\n0.999999 0.630541 0.812509 Al\n0.818032 0.187490 0.187491 Al\n0.187491 0.187490 0.818032 Al\n",
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{
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"structure_string": "Sr6 Sn4 S14\n1.0\n4.009073 -0.000000 0.000000\n0.000000 11.522635 0.000000\n-0.000000 -0.000000 12.808981\nSr Sn S\n6 4 14\ndirect\n0.500000 0.115269 0.150647 Sr\n0.500000 0.884730 0.849353 Sr\n0.500000 0.384731 0.650647 Sr\n0.500000 0.615269 0.349353 Sr\n0.500000 0.000000 0.500000 Sr\n0.500000 0.500000 -0.000000 Sr\n-0.000000 0.282694 0.394115 Sn\n-0.000000 0.717306 0.605885 Sn\n-0.000000 0.217306 0.894115 Sn\n-0.000000 0.782694 0.105885 Sn\n-0.000000 0.797484 0.430455 S\n-0.000000 0.202515 0.569545 S\n-0.000000 0.702515 0.930455 S\n-0.000000 0.297484 0.069545 S\n-0.000000 0.580739 0.176708 S\n-0.000000 0.419260 0.823292 S\n0.500000 0.647338 0.706551 S\n-0.000000 0.080740 0.323292 S\n0.500000 0.852662 0.206551 S\n0.500000 0.147338 0.793449 S\n0.000000 0.000000 0.000000 S\n0.500000 0.352662 0.293449 S\n-0.000000 0.919260 0.676708 S\n-0.000000 0.500000 0.500000 S\n",
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"volume": 591.7119643593376,
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"formula_full": "Sr6 Sn4 S14",
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},
{
"id": "jvasp-59918",
"created_at": "2022-09-04T14:38:35.623969Z",
"updated_at": "2022-09-04T14:38:35.623999Z",
"structure_string": "Ba4 Cu2 Sn4 F28\n1.0\n5.321454 -0.012852 0.017815\n-2.642943 7.220905 -0.009967\n-0.056134 -0.652454 15.416500\nBa Cu Sn F\n4 2 4 28\ndirect\n0.743834 0.636792 0.375104 Ba\n0.892642 0.636900 0.875112 Ba\n0.254708 0.361228 0.624166 Ba\n0.106406 0.361351 0.124155 Ba\n0.499554 0.999053 0.999652 Cu\n0.499088 0.998887 0.499642 Cu\n0.857155 0.761913 0.128742 Sn\n0.142025 0.236340 0.870592 Sn\n0.904485 0.761805 0.628729 Sn\n0.093803 0.236270 0.370615 Sn\n0.004239 0.360284 0.777636 F\n0.267227 0.160477 0.984311 F\n0.063792 0.979995 0.340711 F\n0.731903 0.837659 0.015000 F\n0.892804 0.160319 0.484311 F\n0.480101 0.112824 0.604775 F\n0.813357 0.257397 0.292974 F\n0.642823 0.637935 0.721683 F\n0.105370 0.837502 0.514992 F\n0.366543 0.885114 0.894524 F\n0.083563 0.018195 0.158544 F\n0.857508 0.281492 0.947236 F\n0.443432 0.257305 0.792939 F\n-0.005080 0.637983 0.221709 F\n0.646866 0.499966 0.084215 F\n0.555726 0.740962 0.206386 F\n0.852783 0.499832 0.584226 F\n0.355473 0.360263 0.277681 F\n0.915604 0.980083 0.840743 F\n0.141637 0.716728 0.052090 F\n0.632599 0.113017 0.104777 F\n0.517977 0.884954 0.394503 F\n0.145515 0.498141 0.415256 F\n0.423524 0.281289 0.447246 F\n0.574781 0.716652 0.552068 F\n0.934440 0.018107 0.658542 F\n0.184977 0.740881 0.706411 F\n0.352305 0.498233 0.915175 F\n",
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"formula_full": "Ba4 Cu2 Sn4 F28",
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{
"id": "jvasp-5662",
"created_at": "2022-09-04T14:38:06.210354Z",
"updated_at": "2022-09-04T14:38:06.210380Z",
"structure_string": "Ta2 Te4 Br12\n1.0\n6.768955 -0.426230 -0.173109\n0.979436 6.993244 -0.190259\n2.066727 1.031821 12.315749\nTa Te Br\n2 4 12\ndirect\n0.793339 0.323670 0.818488 Ta\n0.206663 0.676330 0.181512 Ta\n0.252838 0.157234 0.528085 Te\n0.747164 0.842766 0.471915 Te\n0.426547 0.845216 0.631152 Te\n0.573454 0.154783 0.368848 Te\n0.484457 0.149088 0.863452 Br\n0.515545 0.850912 0.136548 Br\n0.698275 0.405986 0.620392 Br\n0.301727 0.594014 0.379608 Br\n0.883815 0.525099 0.253323 Br\n0.960245 0.005649 0.743538 Br\n0.039757 0.994350 0.256462 Br\n0.377726 0.369062 0.130439 Br\n0.094059 0.753970 0.004593 Br\n0.905943 0.246029 0.995407 Br\n0.116187 0.474900 0.746677 Br\n0.622276 0.630938 0.869561 Br\n",
"nsites": 18,
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"elements": [
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],
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"density": 5.1366848740915305,
"density_atomic": 0.030407722248971793,
"volume": 591.9548939779155,
"volume_molar": 19.804642750588243,
"formula_full": "Ta2 Te4 Br12",
"formula_reduced": "Ta(TeBr3)2",
"formula_anonymous": "AB2C6",
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"spacegroup": 2
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{
"id": "jvasp-88745",
"created_at": "2022-09-04T14:36:19.450959Z",
"updated_at": "2022-09-04T14:36:19.450978Z",
"structure_string": "Tb12 S12 N4\n1.0\n3.843405 0.000000 0.000000\n-0.000000 11.963740 0.000000\n0.000000 0.000000 12.878831\nTb S N\n12 12 4\ndirect\n0.749999 0.931738 0.369037 Tb\n0.749999 0.431738 0.130963 Tb\n0.250000 0.568262 0.869037 Tb\n0.749999 0.286361 0.360390 Tb\n0.250000 0.713639 0.639610 Tb\n0.749999 0.786361 0.139610 Tb\n0.250000 0.213639 0.860389 Tb\n0.749999 0.452615 0.643196 Tb\n0.250000 0.547385 0.356804 Tb\n0.749999 0.952615 0.856804 Tb\n0.250000 0.047385 0.143196 Tb\n0.250000 0.068262 0.630962 Tb\n0.749999 0.907108 0.600308 S\n0.250000 0.274942 0.191710 S\n0.749999 0.725058 0.808290 S\n0.749999 0.134005 0.991513 S\n0.250000 0.865995 0.008486 S\n0.749999 0.634005 0.508486 S\n0.250000 0.365995 0.491513 S\n0.250000 0.592892 0.100308 S\n0.250000 0.092892 0.399692 S\n0.749999 0.407108 0.899692 S\n0.749999 0.225058 0.691710 S\n0.250000 0.774942 0.308290 S\n0.250000 0.535841 0.701832 N\n0.749999 0.964159 0.201832 N\n0.250000 0.035841 0.798168 N\n0.749999 0.464159 0.298168 N\n",
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],
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"formula_full": "Tb12 S12 N4",
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},
{
"id": "jvasp-20339",
"created_at": "2022-09-04T14:38:28.411218Z",
"updated_at": "2022-09-04T14:38:28.411245Z",
"structure_string": "Ho16 O24\n1.0\n8.640066 0.000000 -3.054725\n-4.320033 7.482517 -3.054725\n-0.000000 -0.000000 9.164174\nHo O\n16 24\ndirect\n0.499991 0.499991 0.499991 Ho\n0.750001 0.782461 0.032462 Ho\n0.467539 0.250000 0.717539 Ho\n0.717539 0.467539 0.250001 Ho\n0.032462 0.750000 0.782461 Ho\n0.782461 0.032461 0.750000 Ho\n0.750000 0.282468 0.532468 Ho\n0.250001 0.717539 0.467539 Ho\n0.217533 0.967533 0.250001 Ho\n0.532468 0.750000 0.282468 Ho\n0.282468 0.532468 0.750000 Ho\n0.250000 0.217533 0.967532 Ho\n0.000010 0.500000 0.000000 Ho\n0.500000 0.000000 0.000010 Ho\n0.967533 0.250000 0.217533 Ho\n0.000000 0.000010 0.500000 Ho\n0.270917 0.739590 0.227746 O\n0.229084 0.456828 0.468673 O\n0.011845 0.043172 0.272255 O\n0.031327 0.488155 0.760410 O\n0.729095 0.260417 0.772267 O\n0.227745 0.270917 0.739590 O\n0.988152 0.956828 0.727735 O\n0.511850 0.239583 0.968677 O\n0.543173 0.531323 0.770906 O\n0.531323 0.770906 0.543173 O\n0.772267 0.729095 0.260418 O\n0.956829 0.727734 0.988152 O\n0.968678 0.511849 0.239584 O\n0.488156 0.760410 0.031328 O\n0.260418 0.772267 0.729095 O\n0.239584 0.968678 0.511850 O\n0.770906 0.543172 0.531324 O\n0.043172 0.272255 0.011845 O\n0.760410 0.031327 0.488155 O\n0.739590 0.227745 0.270917 O\n0.468673 0.229083 0.456828 O\n0.456829 0.468673 0.229084 O\n0.727735 0.988151 0.956829 O\n0.272255 0.011845 0.043172 O\n",
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},
{
"id": "jvasp-77067",
"created_at": "2022-09-04T14:37:12.513796Z",
"updated_at": "2022-09-04T14:37:12.513825Z",
"structure_string": "Mn1 Cu1 Rh2\n1.0\n-7.733348 -0.000000 -4.464851\n-8.089566 0.155066 5.081838\n-5.347404 7.911072 0.332273\nMn Cu Rh\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Mn\n0.500000 0.000000 -0.000000 Cu\n0.773062 0.000000 -0.000000 Rh\n0.226938 0.000000 -0.000000 Rh\n",
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},
{
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"created_at": "2022-09-04T14:38:03.341229Z",
"updated_at": "2022-09-04T14:38:03.341239Z",
"structure_string": "Cu2 Sb4 H24 O12 F16\n1.0\n4.860533 -0.014871 0.000000\n-1.253237 6.736587 0.000000\n0.000000 0.000000 18.108916\nCu Sb H O F\n2 4 24 12 16\ndirect\n-0.000000 0.500000 0.000000 Cu\n0.500000 0.000000 0.500000 Cu\n0.129307 0.972199 0.781556 Sb\n0.870692 0.027802 0.218444 Sb\n0.370692 0.527802 0.281556 Sb\n0.629307 0.472199 0.718444 Sb\n0.435245 0.682689 0.939217 H\n0.276498 0.156898 0.980131 H\n0.634818 0.646864 0.440518 H\n0.828962 0.158537 0.389534 H\n0.211454 0.978156 0.379609 H\n0.288545 0.521845 0.879609 H\n0.110896 0.797111 0.086993 H\n0.328962 0.658537 0.110466 H\n0.171037 0.841464 0.610466 H\n0.134819 0.146864 0.059483 H\n0.711454 0.478156 0.120391 H\n0.610896 0.297111 0.413007 H\n0.064754 0.817312 0.439217 H\n0.788545 0.021845 0.620391 H\n0.365180 0.353137 0.559483 H\n0.865180 0.853137 0.940518 H\n0.223502 0.343102 0.480131 H\n0.389103 0.702890 0.586993 H\n0.935245 0.182689 0.560783 H\n0.889103 0.202890 0.913007 H\n0.723501 0.843103 0.019869 H\n0.776497 0.656898 0.519869 H\n0.564754 0.317312 0.060783 H\n0.671037 0.341464 0.889534 H\n0.746832 0.114820 0.581662 O\n0.246832 0.614821 0.918339 O\n0.775336 0.298860 0.932175 O\n0.253167 0.885180 0.418339 O\n0.224662 0.701141 0.067825 O\n0.767753 0.732510 0.473837 O\n0.753167 0.385180 0.081662 O\n0.232246 0.267490 0.526164 O\n0.724662 0.201141 0.432175 O\n0.732246 0.767490 0.973837 O\n0.275336 0.798860 0.567825 O\n0.267753 0.232510 0.026163 O\n0.447263 0.376853 0.822776 F\n0.552735 0.623147 0.177224 F\n0.052736 0.123147 0.322776 F\n0.174923 0.254736 0.187619 F\n0.903242 0.960743 0.101453 F\n0.674922 0.754736 0.312381 F\n0.839428 0.140156 0.777936 F\n0.660571 0.359844 0.277936 F\n0.160571 0.859845 0.222064 F\n0.947263 0.876854 0.677224 F\n0.825076 0.745265 0.812381 F\n0.596756 0.539258 0.601453 F\n0.403243 0.460743 0.398547 F\n0.325077 0.245264 0.687619 F\n0.339428 0.640156 0.722065 F\n0.096756 0.039257 0.898547 F\n",
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{
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"created_at": "2022-09-04T14:38:28.225996Z",
"updated_at": "2022-09-04T14:38:28.226007Z",
"structure_string": "Zn4 Bi8 B8 O28\n1.0\n4.942165 0.000000 0.000000\n0.000000 10.896086 0.000000\n0.000000 0.000000 11.005410\nZn Bi B O\n4 8 8 28\ndirect\n0.069651 0.741158 0.242750 Zn\n0.069651 0.241158 0.257250 Zn\n0.069651 0.258843 0.757250 Zn\n0.069651 0.758843 0.742750 Zn\n0.583017 0.321990 0.027932 Bi\n0.579229 0.512715 0.315273 Bi\n0.579229 0.487285 0.684727 Bi\n0.583017 0.678010 0.972068 Bi\n0.579229 0.987286 0.815273 Bi\n0.583017 0.178010 0.527932 Bi\n0.583017 0.821990 0.472068 Bi\n0.579229 0.012715 0.184727 Bi\n0.126176 0.486179 0.127602 B\n0.078113 0.615981 0.521569 B\n0.078113 0.115981 0.978431 B\n0.126176 0.013822 0.627602 B\n0.126176 0.986179 0.372398 B\n0.078113 0.384019 0.478431 B\n0.126176 0.513822 0.872398 B\n0.078113 0.884019 0.021569 B\n0.268563 0.128212 0.674295 O\n0.336423 0.634272 0.483311 O\n0.336423 0.865729 0.983311 O\n0.336423 0.134271 0.016689 O\n0.249310 0.587830 0.201252 O\n0.249310 0.912171 0.701252 O\n0.336423 0.365729 0.516689 O\n0.738146 0.699819 0.328149 O\n0.249310 0.412171 0.798748 O\n0.830380 0.019768 0.639523 O\n0.738146 0.800182 0.828149 O\n0.830380 0.980233 0.360477 O\n0.268563 0.871789 0.325705 O\n0.925232 0.696891 0.585971 O\n0.925232 0.803109 0.085971 O\n0.738146 0.300181 0.671851 O\n0.218527 0.000000 0.500000 O\n0.830380 0.519768 0.860477 O\n0.249310 0.087830 0.298748 O\n0.830380 0.480232 0.139523 O\n0.954905 0.000000 0.000000 O\n0.738146 0.199819 0.171851 O\n0.268563 0.371789 0.174295 O\n0.925232 0.196891 0.914029 O\n0.218527 0.500000 0.000000 O\n0.954905 0.500000 0.500000 O\n0.925232 0.303109 0.414029 O\n0.268563 0.628212 0.825705 O\n",
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{
"id": "jvasp-33871",
"created_at": "2022-09-04T14:38:13.895615Z",
"updated_at": "2022-09-04T14:38:13.895626Z",
"structure_string": "Te12 Rh2 Cl6\n1.0\n7.229053 4.173695 3.273823\n-7.229053 4.173695 3.273823\n0.000000 -8.347389 3.273823\nTe Rh Cl\n12 2 6\ndirect\n0.806560 0.826667 0.082758 Te\n0.582759 0.326667 0.306560 Te\n0.306560 0.582759 0.326668 Te\n0.173333 0.917240 0.193438 Te\n0.917240 0.193440 0.173332 Te\n0.193440 0.173332 0.917239 Te\n0.326667 0.306560 0.582759 Te\n0.693440 0.417239 0.673331 Te\n0.673331 0.693439 0.417239 Te\n0.826667 0.082759 0.806559 Te\n0.082759 0.806559 0.826666 Te\n0.417239 0.673332 0.693438 Te\n0.750000 0.750000 0.749999 Rh\n0.250000 0.250000 0.250000 Rh\n0.250000 0.519878 0.980122 Cl\n0.019877 0.750000 0.480120 Cl\n0.750000 0.480122 0.019876 Cl\n0.480120 0.019877 0.749999 Cl\n0.980122 0.250000 0.519877 Cl\n0.519878 0.980122 0.249998 Cl\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Te",
"Rh",
"Cl"
],
"chemical_system": "Cl-Rh-Te",
"density": 5.462793950401801,
"density_atomic": 0.033745935074633304,
"volume": 592.6639743651356,
"volume_molar": 17.84552938503939,
"formula_full": "Te12 Rh2 Cl6",
"formula_reduced": "Te6RhCl3",
"formula_anonymous": "AB3C6",
"energy_above_hull": 0.9997191802500004,
"spacegroup": 167
},
{
"id": "jvasp-36516",
"created_at": "2022-09-04T14:37:31.783309Z",
"updated_at": "2022-09-04T14:37:31.783339Z",
"structure_string": "Sn10 S8 Cl4\n1.0\n7.301429 -0.020632 -0.067627\n3.609032 8.404092 0.134541\n3.529208 2.968418 9.675847\nSn S Cl\n10 8 4\ndirect\n0.181312 0.733370 0.700259 Sn\n0.818688 0.266631 0.299741 Sn\n0.265896 0.145883 0.423861 Sn\n0.272149 0.354632 0.053979 Sn\n0.734104 0.854117 0.576139 Sn\n0.727851 0.645369 0.946021 Sn\n0.109573 0.717703 0.241215 Sn\n0.890427 0.282297 0.758785 Sn\n0.571404 0.790092 0.244208 Sn\n0.428596 0.209908 0.755792 Sn\n0.031552 0.652143 0.039797 S\n0.332965 0.964885 0.679007 S\n0.224535 0.873339 0.416962 S\n0.492909 0.477121 0.804089 S\n0.507091 0.522879 0.195911 S\n0.667035 0.035115 0.320993 S\n0.775465 0.126661 0.583038 S\n0.968448 0.347857 0.960202 S\n0.753681 0.549698 0.446172 Cl\n0.261318 0.947327 0.052605 Cl\n0.738682 0.052673 0.947395 Cl\n0.246319 0.450303 0.553828 Cl\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Sn",
"S",
"Cl"
],
"chemical_system": "Cl-S-Sn",
"density": 4.441048067620916,
"density_atomic": 0.03711175030379061,
"volume": 592.8041609439507,
"volume_molar": 16.227045910537118,
"formula_full": "Sn10 S8 Cl4",
"formula_reduced": "Sn5(S2Cl)2",
"formula_anonymous": "A2B4C5",
"energy_above_hull": 1.0293724213636364,
"spacegroup": 2
},
{
"id": "jvasp-32248",
"created_at": "2022-09-04T14:38:04.570215Z",
"updated_at": "2022-09-04T14:38:04.570229Z",
"structure_string": "Al4 Pd2 Cl16\n1.0\n6.502390 0.000000 -0.670967\n0.000000 7.290048 0.000000\n0.067837 0.000000 12.500959\nAl Pd Cl\n4 2 16\ndirect\n0.342730 0.709812 0.101216 Al\n0.657270 0.209812 0.398784 Al\n0.657271 0.290188 0.898784 Al\n0.342730 0.790188 0.601216 Al\n0.000000 0.000000 0.000000 Pd\n0.000000 0.500000 0.500000 Pd\n0.343693 0.202253 0.428087 Cl\n0.656308 0.702253 0.071913 Cl\n0.250819 0.993188 0.706451 Cl\n0.749182 0.493188 0.793549 Cl\n0.749182 0.006812 0.293549 Cl\n0.250819 0.506813 0.206451 Cl\n0.239413 0.513363 0.652516 Cl\n0.239412 0.986637 0.152516 Cl\n0.760588 0.486637 0.347484 Cl\n0.343693 0.297747 0.928087 Cl\n0.146001 0.772871 0.445225 Cl\n0.853999 0.272871 0.054774 Cl\n0.853999 0.227129 0.554774 Cl\n0.146001 0.727129 0.945225 Cl\n0.760588 0.013363 0.847484 Cl\n0.656308 0.797747 0.571913 Cl\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Al",
"Pd",
"Cl"
],
"chemical_system": "Al-Cl-Pd",
"density": 2.4870191916948574,
"density_atomic": 0.03710503381909159,
"volume": 592.9114660631404,
"volume_molar": 16.229983212955432,
"formula_full": "Al4 Pd2 Cl16",
"formula_reduced": "Al2PdCl8",
"formula_anonymous": "AB2C8",
"energy_above_hull": 0.5273494400000001,
"spacegroup": 14
}
]
}