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{
"id": "jvasp-61492",
"created_at": "2022-09-04T14:35:51.798487Z",
"updated_at": "2022-09-04T14:35:51.798506Z",
"structure_string": "Ca12 Au4\n1.0\n6.738890 -0.000000 0.000000\n0.000000 7.805322 0.000000\n0.000000 0.000000 9.700044\nCa Au\n12 4\ndirect\n0.862933 0.033388 0.750000 Ca\n0.362933 0.466612 0.250000 Ca\n0.137067 0.966612 0.250000 Ca\n0.637067 0.533388 0.750000 Ca\n0.338220 0.175494 0.937809 Ca\n0.838220 0.324506 0.062190 Ca\n0.661780 0.824506 0.437809 Ca\n0.161780 0.675494 0.562190 Ca\n0.661780 0.824506 0.062190 Ca\n0.161780 0.675494 0.937809 Ca\n0.338220 0.175494 0.562190 Ca\n0.838220 0.324506 0.437809 Ca\n0.047539 0.378441 0.750000 Au\n0.547539 0.121559 0.250000 Au\n0.952461 0.621559 0.250000 Au\n0.452461 0.878440 0.750000 Au\n",
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{
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"structure_string": "Rb4 Ag2 Au6 I16\n1.0\n7.589619 -0.000000 0.000000\n-3.794810 6.512498 -1.338593\n0.000000 -0.198778 20.985864\nRb Ag Au I\n4 2 6 16\ndirect\n0.734929 0.414380 0.593352 Rb\n0.679451 0.414380 0.093352 Rb\n0.265071 0.585620 0.406648 Rb\n0.320549 0.585620 0.906648 Rb\n0.974411 -0.000000 0.250000 Ag\n0.025589 -0.000000 0.750000 Ag\n-0.000000 -0.000000 0.500000 Au\n0.593973 0.194110 0.302001 Au\n0.406028 0.805890 0.697998 Au\n0.399863 0.805890 0.197999 Au\n0.600137 0.194110 0.802001 Au\n0.000000 0.000000 0.000000 Au\n0.582783 0.644470 0.251598 I\n0.333321 0.098605 0.934987 I\n0.195578 0.942928 0.143089 I\n0.765284 0.098605 0.434987 I\n0.230918 0.395080 0.565824 I\n0.666679 0.901395 0.065013 I\n0.835839 0.604920 0.934176 I\n0.769082 0.604920 0.434176 I\n0.747350 0.942928 0.643089 I\n0.164161 0.395080 0.065824 I\n0.252650 0.057072 0.356911 I\n0.417217 0.355530 0.748402 I\n0.061687 0.644469 0.751598 I\n0.938313 0.355530 0.248402 I\n0.234716 0.901395 0.565012 I\n0.804422 0.057072 0.856911 I\n",
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"volume": 1035.2567769270672,
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"formula_full": "Rb4 Ag2 Au6 I16",
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{
"id": "jvasp-64262",
"created_at": "2022-09-04T14:35:51.931977Z",
"updated_at": "2022-09-04T14:35:51.932004Z",
"structure_string": "Ba4 Tl1 Cu1\n1.0\n-0.000000 5.095941 5.095941\n5.095941 0.000000 5.095941\n5.095941 5.095941 -0.000000\nBa Tl Cu\n4 1 1\ndirect\n0.124424 0.625192 0.625192 Ba\n0.625192 0.625192 0.625192 Ba\n0.625192 0.124424 0.625192 Ba\n0.625192 0.625192 0.124424 Ba\n0.000000 0.000000 0.000000 Tl\n0.250000 0.250000 0.250000 Cu\n",
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"elements": [
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"volume": 264.66905647597065,
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"formula_full": "Ba4 Tl1 Cu1",
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{
"id": "jvasp-69371",
"created_at": "2022-09-04T14:35:51.908518Z",
"updated_at": "2022-09-04T14:35:51.908544Z",
"structure_string": "Ba1 Ge1 Cl2\n1.0\n4.968010 0.000000 0.000000\n0.000000 4.968010 0.000000\n0.000000 0.000000 4.258825\nBa Ge Cl\n1 1 2\ndirect\n0.000000 0.000000 0.499999 Ba\n0.500000 0.500000 0.499999 Ge\n0.500000 0.000000 0.000000 Cl\n0.000000 0.500000 0.000000 Cl\n",
"nsites": 4,
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{
"id": "jvasp-70855",
"created_at": "2022-09-04T14:35:51.745517Z",
"updated_at": "2022-09-04T14:35:51.745536Z",
"structure_string": "Be1 Hg4 Pd1\n1.0\n0.000000 4.037263 4.037263\n4.037263 -0.000000 4.037263\n4.037263 4.037263 0.000000\nBe Hg Pd\n1 4 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.125718 0.624761 0.624761 Hg\n0.624761 0.624761 0.624761 Hg\n0.624761 0.125718 0.624761 Hg\n0.624761 0.624761 0.125718 Hg\n0.250000 0.250000 0.250000 Pd\n",
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"elements": [
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{
"id": "jvasp-107770",
"created_at": "2022-09-04T14:35:59.618617Z",
"updated_at": "2022-09-04T14:35:59.618635Z",
"structure_string": "Cd4 Te3 Se1\n1.0\n4.546712 0.004312 14.529158\n2.223859 3.965736 14.529158\n0.007354 0.004312 15.223961\nCd Te Se\n4 3 1\ndirect\n0.003597 0.003597 0.003597 Cd\n0.746299 0.746300 0.746300 Cd\n0.498885 0.498886 0.498886 Cd\n0.251317 0.251317 0.251318 Cd\n0.809878 0.809878 0.809879 Te\n0.562218 0.562218 0.562219 Te\n0.314610 0.314610 0.314611 Te\n0.063193 0.063193 0.063193 Se\n",
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"Se"
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"density_atomic": 0.02921954253735287,
"volume": 273.78936510635583,
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"spacegroup": 160
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{
"id": "jvasp-3843",
"created_at": "2022-09-04T14:35:51.721699Z",
"updated_at": "2022-09-04T14:35:51.721712Z",
"structure_string": "K2 Tl2 O2\n1.0\n3.520590 0.000000 -0.990525\n-0.493436 6.007240 -1.753804\n-0.020774 -0.042956 6.677981\nK Tl O\n2 2 2\ndirect\n0.130219 0.345788 0.260436 K\n0.869782 0.654211 0.739563 K\n0.634245 0.846282 0.268490 Tl\n0.365755 0.153718 0.731509 Tl\n0.750677 0.220814 0.501352 O\n0.249323 0.779186 0.498648 O\n",
"nsites": 6,
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"elements": [
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],
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"density": 6.119432240730602,
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"volume": 140.8229785346857,
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"formula_full": "K2 Tl2 O2",
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"spacegroup": 12
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{
"id": "jvasp-95367",
"created_at": "2022-09-04T14:36:04.223973Z",
"updated_at": "2022-09-04T14:36:04.224131Z",
"structure_string": "Na4 In4 Br16\n1.0\n6.767218 0.000000 0.000000\n0.000000 10.421647 0.000000\n0.000000 0.000000 10.861711\nNa In Br\n4 4 16\ndirect\n0.305999 0.781832 0.897115 Na\n0.806000 0.218168 0.602885 Na\n0.194001 0.281832 0.102885 Na\n0.694001 0.718169 0.397115 Na\n0.218560 0.992526 0.460949 In\n0.781441 0.507474 0.960949 In\n0.718560 0.007474 0.039051 In\n0.281441 0.492526 0.539051 In\n0.404256 0.503169 0.958588 Br\n0.899249 0.702233 0.840733 Br\n0.095744 0.003169 0.041412 Br\n0.070389 0.196217 0.364874 Br\n0.600751 0.202232 0.159267 Br\n0.399249 0.297768 0.659267 Br\n0.941741 0.507393 0.172695 Br\n0.100751 0.797768 0.340733 Br\n0.058259 0.992608 0.672695 Br\n0.558259 0.007393 0.827305 Br\n0.441741 0.492608 0.327305 Br\n0.429611 0.696217 0.635126 Br\n0.570390 0.803783 0.135126 Br\n0.904256 0.496831 0.541412 Br\n0.929611 0.303783 0.864874 Br\n0.595745 -0.003169 0.458588 Br\n",
"nsites": 24,
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],
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"formula_full": "Na4 In4 Br16",
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"formula_anonymous": "ABC4",
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"spacegroup": 19
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{
"id": "jvasp-87978",
"created_at": "2022-09-04T14:35:51.711218Z",
"updated_at": "2022-09-04T14:35:51.711234Z",
"structure_string": "Hg12 Te8 I8\n1.0\n8.624853 0.000391 1.270532\n3.030121 8.075051 1.270532\n0.002744 0.001901 14.613257\nHg Te I\n12 8 8\ndirect\n0.676780 0.323219 0.750000 Hg\n0.500000 -0.000000 -0.000000 Hg\n-0.000000 0.500000 0.500000 Hg\n0.248211 0.694995 0.983815 Hg\n0.305005 0.751789 0.516185 Hg\n0.751789 0.305005 0.016185 Hg\n0.694994 0.248211 0.483815 Hg\n0.890072 0.863827 0.674547 Hg\n0.136172 0.109928 0.825453 Hg\n0.109928 0.136172 0.325453 Hg\n0.863827 0.890072 0.174547 Hg\n0.323219 0.676781 0.250000 Hg\n0.119105 0.592609 0.154989 Te\n0.141691 0.571246 0.635867 Te\n0.428753 0.858308 0.864134 Te\n0.858308 0.428754 0.364133 Te\n0.571246 0.141692 0.135867 Te\n0.592608 0.119105 0.654989 Te\n0.880894 0.407391 0.845011 Te\n0.407391 0.880894 0.345011 Te\n0.346628 0.388486 0.881751 I\n0.092889 0.129298 0.112583 I\n0.870701 0.907111 0.387417 I\n0.611513 0.653371 0.618249 I\n0.653371 0.611513 0.118249 I\n0.388486 0.346629 0.381751 I\n0.907110 0.870701 0.887417 I\n0.129298 0.092889 0.612583 I\n",
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{
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"created_at": "2022-09-04T14:35:59.635634Z",
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"structure_string": "Hf1 Mg6 Ga1\n1.0\n6.369944 0.218086 0.000000\n-2.996104 5.189404 0.000000\n0.000000 0.000000 4.999048\nHf Mg Ga\n1 6 1\ndirect\n0.146337 0.823168 0.250000 Hf\n0.652202 0.325453 0.250000 Mg\n0.652202 0.826747 0.250000 Mg\n0.342818 0.165356 0.750000 Mg\n0.342818 0.677463 0.750000 Mg\n0.861662 0.180833 0.750000 Mg\n0.837391 0.668696 0.750000 Mg\n0.164569 0.332283 0.250000 Ga\n",
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{
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"created_at": "2022-09-04T14:36:04.018518Z",
"updated_at": "2022-09-04T14:36:04.018535Z",
"structure_string": "K1 Ba1 In2\n1.0\n4.211191 -0.000000 0.000000\n-0.000000 4.211663 0.000000\n0.000000 0.000000 8.545767\nK Ba In\n1 1 2\ndirect\n0.500000 0.500000 0.000000 K\n0.500000 0.500000 0.500000 Ba\n0.000000 0.000000 0.742882 In\n0.000000 0.000000 0.257119 In\n",
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{
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"structure_string": "Na1 Be1 In4\n1.0\n-0.000000 4.338167 4.338167\n4.338167 0.000000 4.338167\n4.338167 4.338167 0.000000\nNa Be In\n1 1 4\ndirect\n0.250000 0.250000 0.250000 Na\n0.000000 0.000000 0.000000 Be\n0.124202 0.625266 0.625266 In\n0.625266 0.625266 0.625266 In\n0.625266 0.124202 0.625266 In\n0.625266 0.625266 0.124202 In\n",
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}
]
}