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{
"id": "jvasp-20329",
"created_at": "2022-09-04T14:37:43.310641Z",
"updated_at": "2022-09-04T14:37:43.310672Z",
"structure_string": "Cr23 C6\n1.0\n6.453608 0.000000 3.725992\n2.151203 6.084520 3.725992\n-0.000000 -0.000000 7.451985\nCr C\n23 6\ndirect\n0.660684 0.000000 0.339315 Cr\n0.750000 0.750000 0.749999 Cr\n0.380756 0.380756 0.380756 Cr\n0.619244 0.619244 0.142269 Cr\n0.142269 0.619244 0.619243 Cr\n0.339316 0.660684 -0.000000 Cr\n0.339316 0.000000 -0.000000 Cr\n-0.000000 0.660684 -0.000000 Cr\n0.339316 0.000000 0.660684 Cr\n-0.000000 0.660684 0.339315 Cr\n0.000000 0.000000 0.339316 Cr\n0.000000 0.000000 0.660684 Cr\n-0.000000 0.339316 -0.000000 Cr\n0.250000 0.250000 0.250000 Cr\n0.000000 0.000000 0.000000 Cr\n0.660684 0.000000 -0.000000 Cr\n0.660684 0.339316 -0.000000 Cr\n0.619244 0.619244 0.619243 Cr\n0.380756 0.380756 0.857730 Cr\n0.380756 0.857731 0.380755 Cr\n0.857731 0.380756 0.380755 Cr\n0.619244 0.142269 0.619243 Cr\n-0.000000 0.339316 0.660684 Cr\n0.722536 0.277464 0.277463 C\n0.722536 0.722536 0.277463 C\n0.277464 0.277464 0.722536 C\n0.722536 0.277464 0.722535 C\n0.277464 0.722536 0.277463 C\n0.277464 0.722536 0.722536 C\n",
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{
"id": "jvasp-119060",
"created_at": "2022-09-04T14:38:50.388257Z",
"updated_at": "2022-09-04T14:38:50.388281Z",
"structure_string": "Sc6 Al16 Os7\n1.0\n7.584929 -0.000000 4.379161\n2.528310 7.151139 4.379161\n-0.000000 -0.000000 8.758321\nSc Al Os\n6 16 7\ndirect\n0.713971 0.713971 0.286029 Sc\n0.286029 0.713971 0.286029 Sc\n0.713971 0.286029 0.286029 Sc\n0.286029 0.286029 0.713971 Sc\n0.713971 0.286029 0.713971 Sc\n0.286029 0.713971 0.713971 Sc\n0.338203 0.338203 0.338203 Al\n0.985391 0.338203 0.338203 Al\n0.338203 0.985391 0.338203 Al\n0.338203 0.338203 0.985391 Al\n0.661797 0.661797 0.661797 Al\n0.014609 0.661797 0.661797 Al\n0.661797 0.014609 0.661797 Al\n0.661797 0.661797 0.014609 Al\n0.637344 0.120886 0.120886 Al\n0.120886 0.637344 0.120886 Al\n0.120886 0.120886 0.637344 Al\n0.879115 0.879114 0.879114 Al\n0.362656 0.879114 0.879114 Al\n0.879115 0.362656 0.879114 Al\n0.879115 0.879114 0.362656 Al\n0.120886 0.120886 0.120886 Al\n0.000000 0.500000 -0.000000 Os\n0.000000 0.000000 0.000000 Os\n0.000000 0.000000 0.500000 Os\n0.500000 0.000000 0.500000 Os\n0.000000 0.500000 0.500000 Os\n0.500000 0.500000 -0.000000 Os\n0.500000 0.000000 -0.000000 Os\n",
"nsites": 29,
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"formula_full": "Sc6 Al16 Os7",
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{
"id": "jvasp-122131",
"created_at": "2022-09-04T14:38:55.540529Z",
"updated_at": "2022-09-04T14:38:55.540552Z",
"structure_string": "Dy3 P6 Pd20\n1.0\n7.516217 -0.000000 4.339490\n2.505406 7.086357 4.339490\n-0.000000 -0.000000 8.678980\nDy P Pd\n3 6 20\ndirect\n0.250000 0.250000 0.250000 Dy\n0.750001 0.750000 0.750000 Dy\n0.000000 0.000000 0.000000 Dy\n0.263460 0.263460 0.736540 P\n0.736541 0.263460 0.736540 P\n0.736541 0.736541 0.263459 P\n0.263460 0.736541 0.736540 P\n0.736541 0.263460 0.263459 P\n0.263460 0.736541 0.263459 P\n0.000000 0.345569 0.654431 Pd\n0.000000 0.000000 0.654432 Pd\n0.000000 0.000000 0.345568 Pd\n0.345569 0.000000 0.654432 Pd\n0.000000 0.654432 -0.000000 Pd\n0.654432 0.000000 0.345568 Pd\n0.000000 0.345569 -0.000000 Pd\n0.000000 0.654432 0.345568 Pd\n0.654432 0.000000 -0.000000 Pd\n0.616185 0.151444 0.616185 Pd\n0.151444 0.616185 0.616185 Pd\n0.848557 0.383815 0.383815 Pd\n0.654432 0.345569 -0.000000 Pd\n0.616186 0.616185 0.151444 Pd\n0.383816 0.848556 0.383815 Pd\n0.383815 0.383815 0.848556 Pd\n0.616186 0.616185 0.616185 Pd\n0.383815 0.383815 0.383815 Pd\n0.345569 0.000000 -0.000000 Pd\n0.345569 0.654432 -0.000000 Pd\n",
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{
"id": "jvasp-116528",
"created_at": "2022-09-04T14:38:49.439815Z",
"updated_at": "2022-09-04T14:38:49.439844Z",
"structure_string": "Mg16 Al12 Pt1\n1.0\n8.487440 -0.011258 2.934718\n-4.064071 7.451181 2.934718\n0.026939 0.045311 9.007916\nMg Al Pt\n16 12 1\ndirect\n0.992892 0.992891 0.009174 Mg\n0.582253 0.334827 0.017198 Mg\n0.317418 0.999197 0.398605 Mg\n0.353163 0.004397 0.004183 Mg\n0.677848 0.298057 0.309565 Mg\n0.007117 0.603337 0.676909 Mg\n0.603337 0.007117 0.676909 Mg\n0.298057 0.677848 0.309565 Mg\n0.714353 0.408304 0.596206 Mg\n0.999197 0.317418 0.398605 Mg\n0.408305 0.714353 0.596206 Mg\n0.334828 0.582253 0.017198 Mg\n0.610359 0.610359 0.328514 Mg\n0.011099 0.011098 0.650445 Mg\n0.695067 0.695066 0.702376 Mg\n0.004397 0.353163 0.004183 Mg\n0.371146 0.184169 0.632734 Al\n0.002299 0.813153 0.361451 Al\n0.007996 0.633461 0.179058 Al\n0.201195 0.820652 0.811634 Al\n0.820652 0.201195 0.811634 Al\n0.651544 0.836241 0.978114 Al\n0.813153 0.002299 0.361451 Al\n0.184169 0.371146 0.632734 Al\n0.364070 0.364070 0.826752 Al\n0.183902 0.183901 0.191055 Al\n0.836241 0.651544 0.978114 Al\n0.633461 0.007996 0.179058 Al\n0.317565 0.317564 0.360648 Pt\n",
"nsites": 29,
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"elements": [
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],
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"density_atomic": 0.051146155645403375,
"volume": 567.0025368291057,
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"formula_full": "Mg16 Al12 Pt1",
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"formula_anonymous": "AB12C16",
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"spacegroup": 8
},
{
"id": "jvasp-119349",
"created_at": "2022-09-04T14:38:49.220507Z",
"updated_at": "2022-09-04T14:38:49.220535Z",
"structure_string": "Li4 Mn1 P6 O18\n1.0\n6.638374 0.115127 -2.623276\n-2.174226 6.472070 -2.539025\n0.463874 -0.389218 7.555465\nLi Mn P O\n4 1 6 18\ndirect\n0.389827 0.145143 0.572841 Li\n0.482998 0.529387 0.986201 Li\n0.602122 0.845724 0.416360 Li\n0.229902 0.941435 0.099892 Li\n0.796983 0.072282 0.927391 Mn\n0.994491 0.750694 0.323603 P\n0.220155 0.447215 0.247601 P\n0.317916 0.766040 0.672807 P\n0.680652 0.228306 0.330858 P\n0.009325 0.253653 0.676392 P\n0.776516 0.548317 0.749783 P\n0.293977 0.527211 0.500028 O\n0.092407 0.785898 0.566205 O\n0.771391 0.734634 0.260626 O\n0.379445 0.566038 0.212119 O\n0.010378 0.515073 0.195285 O\n0.345685 0.772343 0.878012 O\n0.845048 0.784531 0.864391 O\n0.704816 0.468243 0.497069 O\n0.231943 0.271176 0.741263 O\n0.657419 0.217001 0.123671 O\n0.987558 0.484194 0.804354 O\n0.619016 0.426912 0.785044 O\n0.480700 0.918593 0.665240 O\n0.909966 0.213510 0.435066 O\n0.521903 0.077335 0.339682 O\n0.863326 0.093657 0.689333 O\n0.143466 0.209401 0.129931 O\n0.140644 0.906057 0.308932 O\n",
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],
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"density_atomic": 0.08910349041203537,
"volume": 325.46424237588474,
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"formula_full": "Li4 Mn1 P6 O18",
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},
{
"id": "jvasp-122078",
"created_at": "2022-09-04T14:38:52.916150Z",
"updated_at": "2022-09-04T14:38:52.916164Z",
"structure_string": "Fe23 C6\n1.0\n6.354805 -0.000000 3.668949\n2.118268 5.991368 3.668949\n-0.000000 -0.000000 7.337897\nFe C\n23 6\ndirect\n0.000000 0.000000 0.000000 Fe\n0.663092 0.000000 -0.000000 Fe\n0.000000 0.663092 -0.000000 Fe\n0.000000 0.000000 0.663092 Fe\n0.336909 0.000000 -0.000000 Fe\n0.336909 0.000000 0.663092 Fe\n0.336909 0.663092 -0.000000 Fe\n0.000000 0.336909 0.663092 Fe\n0.000000 0.336909 -0.000000 Fe\n0.000000 0.663092 0.336909 Fe\n0.663092 0.000000 0.336908 Fe\n0.663092 0.336909 -0.000000 Fe\n0.383223 0.383223 0.383223 Fe\n0.750001 0.750000 0.750000 Fe\n0.250000 0.250000 0.250000 Fe\n0.000000 0.000000 0.336909 Fe\n0.616778 0.149667 0.616777 Fe\n0.149667 0.616778 0.616778 Fe\n0.616778 0.616778 0.149667 Fe\n0.383223 0.383223 0.850333 Fe\n0.383223 0.850333 0.383223 Fe\n0.850334 0.383223 0.383223 Fe\n0.616778 0.616778 0.616777 Fe\n0.277551 0.722449 0.277551 C\n0.277551 0.277551 0.722449 C\n0.722450 0.277551 0.722449 C\n0.277551 0.722449 0.722449 C\n0.722450 0.722449 0.277551 C\n0.722450 0.277551 0.277551 C\n",
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},
{
"id": "jvasp-119439",
"created_at": "2022-09-04T14:38:50.195847Z",
"updated_at": "2022-09-04T14:38:50.195868Z",
"structure_string": "Hf6 Ga16 Pd7\n1.0\n7.632112 0.000000 4.406402\n2.544037 7.195625 4.406402\n-0.000000 0.000000 8.812804\nHf Ga Pd\n6 16 7\ndirect\n0.683686 0.683685 0.316314 Hf\n0.316315 0.683685 0.316314 Hf\n0.683686 0.316314 0.316314 Hf\n0.316314 0.316314 0.683685 Hf\n0.683686 0.316314 0.683685 Hf\n0.316315 0.683685 0.683685 Hf\n0.340897 0.340897 0.340897 Ga\n0.977308 0.340897 0.340897 Ga\n0.340898 0.977308 0.340897 Ga\n0.340897 0.340897 0.977308 Ga\n0.659103 0.659102 0.659102 Ga\n0.022692 0.659102 0.659102 Ga\n0.659103 0.022692 0.659102 Ga\n0.659103 0.659102 0.022691 Ga\n0.634935 0.121688 0.121688 Ga\n0.121689 0.634934 0.121688 Ga\n0.121688 0.121688 0.634934 Ga\n0.878312 0.878311 0.878311 Ga\n0.365066 0.878311 0.878311 Ga\n0.878311 0.365065 0.878311 Ga\n0.878312 0.878311 0.365065 Ga\n0.121688 0.121688 0.121688 Ga\n0.000000 0.500000 -0.000000 Pd\n0.000000 0.000000 0.000000 Pd\n0.000000 0.000000 0.500000 Pd\n0.500000 0.000000 0.500000 Pd\n0.000000 0.500000 0.500000 Pd\n0.500000 0.500000 -0.000000 Pd\n0.500000 0.000000 -0.000000 Pd\n",
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{
"id": "jvasp-119457",
"created_at": "2022-09-04T14:38:50.572504Z",
"updated_at": "2022-09-04T14:38:50.572528Z",
"structure_string": "Nb2 Ni21 B6\n1.0\n6.440207 -0.000000 3.718255\n2.146736 6.071885 3.718255\n-0.000000 -0.000000 7.436510\nNb Ni B\n2 21 6\ndirect\n0.250000 0.250000 0.250000 Nb\n0.750001 0.750001 0.750000 Nb\n0.000000 0.000000 0.000000 Ni\n0.153266 0.615578 0.615578 Ni\n0.846734 0.384423 0.384423 Ni\n0.615578 0.153266 0.615578 Ni\n0.615578 0.615578 0.153266 Ni\n0.384423 0.846735 0.384423 Ni\n0.384423 0.384423 0.846734 Ni\n0.615578 0.615578 0.615578 Ni\n0.340516 0.659485 0.000000 Ni\n0.659485 0.340515 0.000000 Ni\n0.384423 0.384423 0.384423 Ni\n0.000000 0.000000 0.340515 Ni\n0.340515 0.000000 0.659485 Ni\n0.000000 0.659485 0.000000 Ni\n0.659485 0.000000 0.340515 Ni\n0.000000 0.340515 0.000000 Ni\n0.000000 0.659485 0.340515 Ni\n0.000000 0.340515 0.659485 Ni\n0.659485 0.000000 0.000000 Ni\n0.340515 0.000000 0.000000 Ni\n0.000000 0.000000 0.659485 Ni\n0.267483 0.267483 0.732517 B\n0.732517 0.267483 0.267483 B\n0.267484 0.732517 0.732517 B\n0.267484 0.732517 0.267483 B\n0.732517 0.267483 0.732517 B\n0.732518 0.732517 0.267483 B\n",
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{
"id": "jvasp-117096",
"created_at": "2022-09-04T14:38:50.404173Z",
"updated_at": "2022-09-04T14:38:50.404209Z",
"structure_string": "Li5 Co2 Cu2 P4 O16\n1.0\n4.750243 0.038932 0.237008\n0.130634 6.098937 0.254181\n-0.039186 0.035005 10.209116\nLi Co Cu P O\n5 2 2 4 16\ndirect\n0.001687 0.500839 0.001051 Li\n0.100648 0.971589 0.128473 Li\n0.501359 0.000973 0.500765 Li\n0.501386 0.500912 0.501098 Li\n0.902545 0.030228 0.873716 Li\n0.539059 0.727737 0.218542 Co\n0.464038 0.274045 0.783542 Co\n0.058866 0.273440 0.296213 Cu\n0.943947 0.728415 0.705929 Cu\n0.411857 0.757986 0.906808 P\n0.919854 0.247578 0.600175 P\n0.591287 0.243831 0.095288 P\n0.083096 0.754252 0.401933 P\n0.196230 0.774689 0.540855 O\n0.294055 0.981531 0.849205 O\n0.281976 0.567548 0.833080 O\n0.759563 0.452826 0.658982 O\n0.795510 0.056483 0.690416 O\n0.242032 0.259260 0.600562 O\n0.806603 0.227028 0.461279 O\n0.266727 0.254760 0.103456 O\n0.207651 0.945449 0.311815 O\n0.243380 0.549059 0.343066 O\n0.721181 0.434248 0.169044 O\n0.709100 0.020281 0.152894 O\n0.736421 0.747060 0.898642 O\n0.292778 0.731905 0.051869 O\n0.760919 0.742618 0.401464 O\n0.710387 0.269950 0.950238 O\n",
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{
"id": "jvasp-117218",
"created_at": "2022-09-04T14:38:49.427263Z",
"updated_at": "2022-09-04T14:38:49.427278Z",
"structure_string": "Cu12 As4 S13\n1.0\n8.295095 -0.016881 -2.924073\n-4.092740 7.213131 -2.925967\n0.001375 0.006012 8.870421\nCu As S\n12 4 13\ndirect\n0.749363 0.494974 0.249707 Cu\n0.752422 0.252420 0.500069 Cu\n0.499729 0.245274 0.750349 Cu\n0.252436 0.752424 0.500039 Cu\n0.245356 0.499734 0.750427 Cu\n0.494944 0.749306 0.249634 Cu\n0.240527 0.044129 0.240473 Cu\n0.765376 0.765421 -0.000008 Cu\n0.043555 0.240270 0.240309 Cu\n0.803559 -0.000036 0.759761 Cu\n0.210746 0.210606 -0.000886 Cu\n0.000110 0.803769 0.759759 Cu\n0.529430 -0.000016 0.000003 As\n0.470155 0.470076 0.469927 As\n0.000232 0.000195 0.530101 As\n-0.000011 0.529399 -0.000031 As\n0.763309 0.523116 0.521272 S\n0.480496 0.003665 0.242087 S\n0.513622 0.513612 0.757022 S\n0.003638 0.480522 0.242081 S\n0.523026 0.763199 0.521166 S\n0.477459 0.240418 -0.000012 S\n0.001870 0.242091 0.478926 S\n0.761565 0.238357 0.757937 S\n0.756596 0.756610 0.242962 S\n0.238398 0.761581 0.757946 S\n0.242053 0.001869 0.478808 S\n0.240384 0.477345 -0.000018 S\n0.986038 0.986063 0.000184 S\n",
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],
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"formula_reduced": "Cu12As4S13",
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{
"id": "jvasp-26231",
"created_at": "2022-09-04T14:37:16.208359Z",
"updated_at": "2022-09-04T14:37:16.208368Z",
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{
"id": "jvasp-52444",
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}