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{
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"results": [
{
"id": "jvasp-77191",
"created_at": "2022-09-04T14:37:01.413973Z",
"updated_at": "2022-09-04T14:37:01.414008Z",
"structure_string": "Sr1 Hg2 Pb1\n1.0\n-10.715288 -0.000000 -6.186475\n-10.904510 -0.040664 6.514217\n-7.187431 10.472827 0.076047\nSr Hg Pb\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Sr\n0.737849 0.000000 0.000000 Hg\n0.262151 0.000000 0.000000 Hg\n0.500000 0.000000 0.000000 Pb\n",
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"volume": 1439.3644217584938,
"volume_molar": 216.70137881914138,
"formula_full": "Sr1 Hg2 Pb1",
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{
"id": "jvasp-77377",
"created_at": "2022-09-04T14:38:05.800478Z",
"updated_at": "2022-09-04T14:38:05.800505Z",
"structure_string": "Y2 Hg1 Pb1\n1.0\n-10.525961 0.000004 -6.077164\n-10.880392 0.096776 6.691057\n-7.181075 10.560037 0.283645\nY Hg Pb\n2 1 1\ndirect\n0.733038 0.000000 -0.000000 Y\n0.266962 0.000000 -0.000000 Y\n0.000000 0.000000 -0.000000 Hg\n0.500000 0.000000 -0.000000 Pb\n",
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{
"id": "jvasp-80994",
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"structure_string": "Sr2 Zn1 Ge1\n1.0\n-11.005337 0.000000 -6.353935\n-10.945102 -0.028131 6.249603\n-7.303551 10.271727 -0.057746\nSr Zn Ge\n2 1 1\ndirect\n0.729216 0.000000 0.000000 Sr\n0.270784 0.000000 0.000000 Sr\n0.000000 0.000000 0.000000 Zn\n0.500000 0.000000 0.000000 Ge\n",
"nsites": 4,
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"Ge"
],
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"density_atomic": 0.0028127252387078463,
"volume": 1422.108332855712,
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{
"id": "jvasp-98226",
"created_at": "2022-09-04T14:35:45.943333Z",
"updated_at": "2022-09-04T14:35:45.943364Z",
"structure_string": "Rb16 Bi16\n1.0\n7.508875 0.000000 0.000000\n0.000000 12.800956 -5.539353\n0.000000 -0.078617 14.806529\nRb Bi\n16 16\ndirect\n0.131515 0.550201 0.847566 Rb\n0.629856 0.359391 0.880602 Rb\n0.870143 0.859392 0.880602 Rb\n0.370143 0.640609 0.119398 Rb\n0.301427 0.033508 0.394197 Rb\n0.801427 0.466492 0.605803 Rb\n0.698572 0.966492 0.605803 Rb\n0.198572 0.533508 0.394197 Rb\n0.129856 0.140609 0.119398 Rb\n0.575417 0.311556 0.344437 Rb\n0.924582 0.811556 0.344437 Rb\n0.424583 0.688444 0.655564 Rb\n0.368484 0.050201 0.847566 Rb\n0.868484 0.449799 0.152434 Rb\n0.631515 0.949799 0.152434 Rb\n0.075417 0.188444 0.655563 Rb\n0.354187 0.816926 0.928207 Bi\n0.854187 0.683075 0.071793 Bi\n0.382802 0.365635 0.109863 Bi\n0.882802 0.134365 0.890137 Bi\n0.617197 0.634365 0.890137 Bi\n0.117197 0.865635 0.109863 Bi\n0.065846 0.269786 0.393977 Bi\n0.434153 0.769787 0.393977 Bi\n0.934153 0.730214 0.606023 Bi\n0.296603 0.384822 0.577195 Bi\n0.796603 0.115178 0.422805 Bi\n0.703396 0.615178 0.422805 Bi\n0.203396 0.884823 0.577195 Bi\n0.145812 0.316926 0.928207 Bi\n0.565846 0.230213 0.606023 Bi\n0.645812 0.183074 0.071793 Bi\n",
"nsites": 32,
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"elements": [
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"Bi"
],
"chemical_system": "Bi-Rb",
"density": 5.509427067644849,
"density_atomic": 0.02253608296452627,
"volume": 1419.9450743223988,
"volume_molar": 26.722215965744212,
"formula_full": "Rb16 Bi16",
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},
{
"id": "jvasp-97378",
"created_at": "2022-09-04T14:35:41.460458Z",
"updated_at": "2022-09-04T14:35:41.460491Z",
"structure_string": "Rb8 Pd4 I24\n1.0\n7.843872 0.000000 0.000000\n0.000000 12.306037 0.000000\n0.000000 0.000000 14.515626\nRb Pd I\n8 4 24\ndirect\n0.287652 0.007057 0.860461 Rb\n0.787652 0.492943 0.639540 Rb\n0.712348 0.507057 0.139539 Rb\n0.212348 0.992944 0.360461 Rb\n0.712348 0.992944 0.139539 Rb\n0.212348 0.507057 0.360461 Rb\n0.287652 0.492943 0.860461 Rb\n0.787652 0.007057 0.639540 Rb\n0.732724 0.750000 0.398702 Pd\n0.232724 0.750000 0.101298 Pd\n0.267276 0.250000 0.601299 Pd\n0.767276 0.250000 0.898702 Pd\n0.040616 0.250000 0.789568 I\n0.227940 0.531261 0.106261 I\n0.727940 0.968739 0.393739 I\n0.227940 0.968739 0.106261 I\n0.727940 0.531261 0.393739 I\n0.772059 0.468739 0.893739 I\n0.272060 0.031261 0.606261 I\n0.459383 0.750000 0.289568 I\n0.959383 0.750000 0.210432 I\n0.540616 0.250000 0.710432 I\n0.034815 0.750000 0.491618 I\n0.985436 0.250000 0.282738 I\n0.965185 0.250000 0.508382 I\n0.465185 0.250000 0.991618 I\n0.014563 0.750000 0.717263 I\n0.514563 0.750000 0.782738 I\n0.272060 0.468739 0.606261 I\n0.485437 0.250000 0.217262 I\n0.044700 0.750000 0.919285 I\n0.544699 0.750000 0.580715 I\n0.955300 0.250000 0.080715 I\n0.455300 0.250000 0.419285 I\n0.534815 0.750000 0.008382 I\n0.772059 0.031261 0.893739 I\n",
"nsites": 36,
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"elements": [
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"Pd",
"I"
],
"chemical_system": "I-Pd-Rb",
"density": 4.924353202910906,
"density_atomic": 0.02569318927742448,
"volume": 1401.1495268760457,
"volume_molar": 23.438665768485972,
"formula_full": "Rb8 Pd4 I24",
"formula_reduced": "Rb2PdI6",
"formula_anonymous": "AB2C6",
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"spacegroup": 62
},
{
"id": "jvasp-26739",
"created_at": "2022-09-04T14:38:29.199095Z",
"updated_at": "2022-09-04T14:38:29.199111Z",
"structure_string": "Hg6 As16 S16 Br12\n1.0\n0.000000 9.272473 -0.245736\n11.687104 0.000000 0.000000\n0.000000 -3.786271 -12.821129\nHg As S Br\n6 16 16 12\ndirect\n0.249441 0.792011 0.310329 Hg\n0.750559 0.292011 0.189671 Hg\n0.249441 0.707989 0.810329 Hg\n0.750559 0.207989 0.689671 Hg\n0.000000 0.500000 0.500000 Hg\n0.000000 0.000000 0.000000 Hg\n0.639218 0.645069 0.310024 As\n0.647020 0.576534 0.926362 As\n0.352980 0.423466 0.073638 As\n0.602947 0.866384 -0.000802 As\n0.397053 0.133615 0.000802 As\n0.602947 0.633615 0.499198 As\n0.352980 0.076534 0.573638 As\n0.904779 0.819576 0.488086 As\n0.360782 0.145069 0.189976 As\n0.904779 0.680423 0.988086 As\n0.639218 0.854931 0.810024 As\n0.095221 0.319577 0.011914 As\n0.397053 0.366385 0.500802 As\n0.095221 0.180423 0.511914 As\n0.647020 0.923465 0.426362 As\n0.360782 0.354931 0.689976 As\n0.884763 0.800944 0.850928 S\n0.884763 0.699055 0.350928 S\n0.510239 0.813357 0.510597 S\n0.163616 0.184314 0.908760 S\n0.510239 0.686643 0.010597 S\n0.489761 0.186643 0.489403 S\n0.115236 0.199056 0.149072 S\n0.836384 0.815686 0.091240 S\n0.441620 0.329311 0.227643 S\n0.115237 0.300944 0.649072 S\n0.163616 0.315686 0.408760 S\n0.558380 0.829310 0.272357 S\n0.489761 0.313357 -0.010597 S\n0.558380 0.670689 0.772357 S\n0.441620 0.170689 0.727644 S\n0.836384 0.684314 0.591240 S\n0.267092 0.917612 0.775746 Br\n0.732908 0.082388 0.224255 Br\n0.237082 0.619243 0.568399 Br\n0.237082 0.880756 0.068399 Br\n0.131610 0.978579 0.335425 Br\n0.868390 0.021421 0.664575 Br\n0.762918 0.119244 0.931601 Br\n0.762918 0.380756 0.431601 Br\n0.131610 0.521421 0.835425 Br\n0.868390 0.478579 0.164575 Br\n0.732908 0.417612 0.724255 Br\n0.267092 0.582388 0.275746 Br\n",
"nsites": 50,
"nelements": 4,
"elements": [
"Hg",
"As",
"S",
"Br"
],
"chemical_system": "As-Br-Hg-S",
"density": 4.59424038184588,
"density_atomic": 0.035707179299235864,
"volume": 1400.2786269110313,
"volume_molar": 16.865349988955508,
"formula_full": "Hg6 As16 S16 Br12",
"formula_reduced": "Hg3As8(S4Br3)2",
"formula_anonymous": "A3B6C8D8",
"energy_above_hull": 1.4288668972,
"spacegroup": 14
},
{
"id": "jvasp-98275",
"created_at": "2022-09-04T14:36:06.829625Z",
"updated_at": "2022-09-04T14:36:06.829642Z",
"structure_string": "In12 Sn4 I20\n1.0\n8.793286 0.000000 -1.443823\n0.000000 9.010718 0.000000\n0.000097 0.000000 17.597936\nIn Sn I\n12 4 20\ndirect\n0.383036 0.180117 0.249335 In\n0.383037 0.319883 0.749335 In\n0.889993 0.397638 0.247516 In\n0.110007 0.897638 0.252484 In\n0.616964 0.680117 0.250665 In\n0.782362 0.454125 0.971394 In\n0.217639 0.545875 0.028607 In\n0.889993 0.102362 0.747516 In\n0.217639 0.954125 0.528607 In\n0.110008 0.602362 0.752485 In\n0.616964 0.819883 0.750666 In\n0.782362 0.045875 0.471394 In\n0.705530 0.035915 0.083763 Sn\n0.294470 0.535915 0.416238 Sn\n0.705531 0.464085 0.583763 Sn\n0.294471 0.964085 0.916238 Sn\n0.619989 0.119196 0.895662 I\n0.868732 0.778808 0.611864 I\n0.619989 0.380804 0.395662 I\n0.250387 0.960632 0.737697 I\n0.250387 0.539368 0.237697 I\n0.016395 0.293873 0.604798 I\n0.131269 0.278808 0.888137 I\n0.457103 0.647014 0.898643 I\n0.131269 0.221192 0.388137 I\n0.380012 0.880804 0.104338 I\n0.983606 0.706127 0.395203 I\n0.016394 0.206127 0.104797 I\n0.868732 0.721192 0.111863 I\n0.983606 0.793874 0.895203 I\n0.542898 0.352986 0.101357 I\n0.749614 0.460632 0.762304 I\n0.457103 0.852986 0.398643 I\n0.380012 0.619196 0.604338 I\n0.749614 0.039368 0.262304 I\n0.542898 0.147014 0.601357 I\n",
"nsites": 36,
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"elements": [
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"I"
],
"chemical_system": "I-In-Sn",
"density": 5.228951679536982,
"density_atomic": 0.025818426863978935,
"volume": 1394.352963085682,
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"formula_full": "In12 Sn4 I20",
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},
{
"id": "jvasp-97395",
"created_at": "2022-09-04T14:36:05.251799Z",
"updated_at": "2022-09-04T14:36:05.251817Z",
"structure_string": "K20 Sn4 Sb12\n1.0\n8.664965 0.000000 0.000000\n0.000000 9.861907 -0.026974\n0.000000 -0.016020 16.055330\nK Sn Sb\n20 4 12\ndirect\n0.162698 0.576218 0.258550 K\n0.503247 0.306584 0.242211 K\n0.003246 0.193416 0.257790 K\n0.996754 0.806584 0.742211 K\n0.980809 0.830242 0.421585 K\n0.480809 0.669758 0.078416 K\n0.019192 0.169758 0.578416 K\n0.519192 0.330242 0.921584 K\n0.493780 0.696347 0.411262 K\n0.993780 0.803653 0.088739 K\n0.496754 0.693416 0.757790 K\n0.006220 0.196347 0.911262 K\n0.324400 0.079301 0.078762 K\n0.824401 0.420699 0.421239 K\n0.675600 0.920699 0.921239 K\n0.175600 0.579301 0.578762 K\n0.337302 0.076218 0.758550 K\n0.506221 0.303653 0.588738 K\n0.837303 0.423782 0.741450 K\n0.662698 0.923782 0.241450 K\n0.644242 0.925664 0.588314 Sn\n0.144242 0.574337 0.911686 Sn\n0.355759 0.074337 0.411686 Sn\n0.855759 0.425664 0.088314 Sn\n0.737328 0.081895 0.731303 Sb\n0.260722 0.848213 0.918872 Sb\n0.760722 0.651787 0.581129 Sb\n0.739279 0.151787 0.081129 Sb\n0.239279 0.348213 0.418871 Sb\n0.195337 0.417697 0.065881 Sb\n0.695338 0.082303 0.434119 Sb\n0.804663 0.582303 0.934120 Sb\n0.304663 0.917697 0.565881 Sb\n0.262673 0.918106 0.268697 Sb\n0.762673 0.581895 0.231303 Sb\n0.237328 0.418106 0.768697 Sb\n",
"nsites": 36,
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"elements": [
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"Sb"
],
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"density": 3.2895838352960225,
"density_atomic": 0.02623957122355413,
"volume": 1371.9736383376705,
"volume_molar": 22.950606580774398,
"formula_full": "K20 Sn4 Sb12",
"formula_reduced": "K5SnSb3",
"formula_anonymous": "AB3C5",
"energy_above_hull": 0.1071645763888889,
"spacegroup": 14
},
{
"id": "jvasp-33078",
"created_at": "2022-09-04T14:37:08.722453Z",
"updated_at": "2022-09-04T14:37:08.722473Z",
"structure_string": "Al6 Bi10 Br24\n1.0\n10.820129 0.111962 6.429685\n3.712224 10.164011 6.429685\n0.158338 0.111962 12.585347\nAl Bi Br\n6 10 24\ndirect\n0.769900 0.730100 0.250000 Al\n0.250000 0.769900 0.730100 Al\n0.230100 0.269900 0.750000 Al\n0.269900 0.750000 0.230100 Al\n0.730100 0.250000 0.769900 Al\n0.750000 0.230100 0.269900 Al\n0.250000 0.405321 0.094679 Bi\n0.094679 0.250000 0.405321 Bi\n0.405321 0.094679 0.250000 Bi\n0.750000 0.594678 0.905321 Bi\n0.327315 0.327314 0.327314 Bi\n0.594679 0.905321 0.750000 Bi\n0.827315 0.827314 0.827314 Bi\n0.672685 0.672685 0.672685 Bi\n0.172685 0.172685 0.172685 Bi\n0.905321 0.750000 0.594678 Bi\n0.309237 0.932317 0.039624 Br\n0.595648 0.771375 0.200561 Br\n0.799439 0.404352 0.228624 Br\n0.039625 0.309237 0.932318 Br\n0.690763 0.067682 0.960375 Br\n0.299439 0.728625 0.904352 Br\n0.190763 0.460375 0.567683 Br\n0.932318 0.039624 0.309237 Br\n0.904352 0.299439 0.728625 Br\n0.960375 0.690762 0.067682 Br\n0.728625 0.904352 0.299439 Br\n0.809237 0.539624 0.432317 Br\n0.567683 0.190762 0.460375 Br\n0.771375 0.200561 0.595648 Br\n0.700561 0.271375 0.095648 Br\n0.460375 0.567682 0.190762 Br\n0.539625 0.432317 0.809237 Br\n0.228625 0.799439 0.404352 Br\n0.432317 0.809237 0.539624 Br\n0.404352 0.228625 0.799439 Br\n0.067682 0.960375 0.690763 Br\n0.200561 0.595648 0.771375 Br\n0.095648 0.700561 0.271375 Br\n0.271375 0.095648 0.700561 Br\n",
"nsites": 40,
"nelements": 3,
"elements": [
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"Bi",
"Br"
],
"chemical_system": "Al-Bi-Br",
"density": 5.077678694498043,
"density_atomic": 0.029336187287223415,
"volume": 1363.5037030671303,
"volume_molar": 20.52802806662876,
"formula_full": "Al6 Bi10 Br24",
"formula_reduced": "Al3Bi5Br12",
"formula_anonymous": "A3B5C12",
"energy_above_hull": 0.4991759579999999,
"spacegroup": 167
},
{
"id": "jvasp-91407",
"created_at": "2022-09-04T14:35:56.841580Z",
"updated_at": "2022-09-04T14:35:56.841604Z",
"structure_string": "Rb8 Sn8 S32\n1.0\n9.397287 0.000000 -2.878212\n0.000000 10.138545 0.000000\n-0.117193 0.000000 14.308868\nRb Sn S\n8 8 32\ndirect\n0.532076 0.225278 0.912535 Rb\n0.967925 0.725278 0.587465 Rb\n0.467925 0.774721 0.087465 Rb\n0.032075 0.274722 0.412535 Rb\n0.851034 0.132946 0.704769 Rb\n0.648967 0.632946 0.795231 Rb\n0.148966 0.867053 0.295231 Rb\n0.351034 0.367054 0.204769 Rb\n0.025679 0.173810 0.015007 Sn\n0.406695 -0.000004 0.596938 Sn\n0.906695 0.500003 0.096938 Sn\n0.593305 0.000004 0.403063 Sn\n0.525679 0.326189 0.515007 Sn\n0.974322 0.826189 0.984993 Sn\n0.474321 0.673810 0.484993 Sn\n0.093305 0.499996 0.903063 Sn\n0.490131 0.769013 0.332487 S\n0.990131 0.730986 0.832487 S\n0.509870 0.230987 0.667514 S\n0.687360 0.142712 0.190214 S\n0.812640 0.642711 0.309786 S\n0.312640 0.857288 0.809786 S\n0.306082 0.657220 0.769596 S\n0.693918 0.342780 0.230405 S\n0.806082 0.842779 0.269596 S\n0.193918 0.157220 0.730405 S\n0.646341 0.446246 0.100978 S\n0.853660 0.946245 0.399023 S\n0.009869 0.269013 0.167514 S\n0.187360 0.357288 0.690214 S\n0.007836 0.432851 0.715600 S\n0.329482 0.462878 0.419068 S\n0.992164 0.567149 0.284401 S\n0.507836 0.067149 0.215600 S\n0.140563 0.602483 0.076683 S\n0.359437 0.102483 0.423317 S\n0.859437 0.397516 0.923317 S\n0.640564 0.897516 0.576683 S\n0.353660 0.553754 0.899023 S\n0.170518 0.962878 0.080933 S\n0.670518 0.537121 0.580933 S\n0.829483 0.037121 0.919068 S\n0.714346 0.225868 0.460664 S\n0.785654 0.725868 0.039337 S\n0.285654 0.774132 0.539337 S\n0.214346 0.274132 0.960664 S\n0.492164 0.932851 0.784401 S\n0.146341 0.053754 0.600978 S\n",
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"elements": [
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{
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}