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{
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{
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"structure_string": "Li4 Mn4 P4 O16\n1.0\n5.004806 -0.000000 0.000000\n0.000000 6.328723 0.000000\n0.000000 0.000000 9.336023\nLi Mn P O\n4 4 4 16\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.000000 Li\n0.500000 0.000000 0.500000 Li\n0.500000 0.500000 0.500000 Li\n0.527097 0.250000 0.146795 Mn\n0.027096 0.750000 0.353205 Mn\n0.972905 0.250000 0.646795 Mn\n0.472904 0.750000 0.853205 Mn\n0.460058 0.250000 0.820081 P\n0.960058 0.750000 0.679918 P\n0.039943 0.250000 0.320081 P\n0.539943 0.750000 0.179918 P\n0.328587 0.447386 0.889031 O\n0.894957 0.750000 0.844041 O\n0.394957 0.250000 0.655959 O\n0.828587 0.552614 0.610969 O\n0.828587 0.947385 0.610969 O\n0.265397 0.750000 0.651526 O\n0.734603 0.250000 0.348474 O\n0.671414 0.947385 0.110970 O\n0.171413 0.052614 0.389030 O\n0.605044 0.750000 0.344041 O\n0.105043 0.250000 0.155959 O\n0.671414 0.552614 0.110970 O\n0.328587 0.052614 0.889031 O\n0.234603 0.750000 0.151526 O\n0.171413 0.447386 0.389030 O\n0.765398 0.250000 0.848474 O\n",
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{
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"updated_at": "2022-09-04T14:38:02.845032Z",
"structure_string": "As16 S12\n1.0\n7.995687 -0.000000 0.000000\n-0.000000 9.054419 0.000000\n0.000000 0.000000 10.274813\nAs S\n16 12\ndirect\n0.090602 0.141745 0.277172 As\n0.750000 0.659391 0.440331 As\n0.250000 0.340609 0.559669 As\n0.250000 0.840609 0.940331 As\n0.750000 0.031719 0.574306 As\n0.250000 0.968281 0.425693 As\n0.750000 0.531719 0.925693 As\n0.250000 0.468281 0.074307 As\n0.750000 0.159391 0.059669 As\n0.409398 0.141745 0.277172 As\n0.590603 0.358255 0.777172 As\n0.090602 0.641745 0.222828 As\n0.909398 0.358255 0.777172 As\n0.409398 0.641745 0.222828 As\n0.590603 0.858255 0.722828 As\n0.909398 0.858255 0.722828 As\n0.535602 0.167814 0.912215 S\n0.035602 0.832186 0.087785 S\n0.035602 0.332186 0.412215 S\n0.535602 0.667814 0.587785 S\n0.464398 0.832186 0.087785 S\n0.250000 0.095250 0.613942 S\n0.750000 0.904750 0.386057 S\n0.750000 0.404750 0.113943 S\n0.250000 0.595250 0.886057 S\n0.464398 0.332186 0.412215 S\n0.964399 0.167814 0.912215 S\n0.964399 0.667814 0.587785 S\n",
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{
"id": "jvasp-46362",
"created_at": "2022-09-04T14:38:02.712189Z",
"updated_at": "2022-09-04T14:38:02.712218Z",
"structure_string": "Mg4 Co4 O12\n1.0\n0.000000 5.121338 -0.000687\n4.883812 0.000000 0.000000\n0.000000 -0.000933 -7.158146\nMg Co O\n4 4 12\ndirect\n0.928180 0.020004 0.250001 Mg\n0.428180 0.479996 0.250001 Mg\n0.571821 0.520004 0.750000 Mg\n0.071821 0.979996 0.750000 Mg\n0.500000 0.000000 0.000000 Co\n0.500000 0.000000 0.500000 Co\n0.000000 0.500000 0.500000 Co\n0.000000 0.500000 0.000000 Co\n0.808034 0.815035 0.933225 O\n0.308035 0.684964 0.566775 O\n0.308034 0.684965 0.933225 O\n0.053955 0.630204 0.250000 O\n0.946046 0.369796 0.750001 O\n0.191966 0.184964 0.433226 O\n0.691966 0.315036 0.433226 O\n0.191967 0.184965 0.066776 O\n0.808035 0.815036 0.566775 O\n0.446046 0.130204 0.750001 O\n0.691967 0.315035 0.066776 O\n0.553955 0.869795 0.250000 O\n",
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{
"id": "jvasp-49923",
"created_at": "2022-09-04T14:38:03.106551Z",
"updated_at": "2022-09-04T14:38:03.106568Z",
"structure_string": "Sm4 Tl4 O12\n1.0\n5.681136 0.000000 0.000000\n0.000000 6.079097 0.000000\n0.000000 0.000000 8.572873\nSm Tl O\n4 4 12\ndirect\n0.973489 0.070067 0.250000 Sm\n0.473489 0.429933 0.750000 Sm\n0.526512 0.570067 0.250000 Sm\n0.026512 0.929934 0.750000 Sm\n0.500000 0.000000 0.000000 Tl\n0.500000 0.000000 0.500000 Tl\n0.000000 0.500000 0.000000 Tl\n0.000000 0.500000 0.500000 Tl\n0.810658 0.812069 0.080936 O\n0.310658 0.687932 0.580936 O\n0.310658 0.687932 0.919063 O\n0.843889 0.577523 0.750000 O\n0.156112 0.422478 0.250000 O\n0.189343 0.187932 0.580936 O\n0.689343 0.312069 0.419064 O\n0.189343 0.187932 0.919063 O\n0.810658 0.812069 0.419064 O\n0.656112 0.077523 0.750000 O\n0.689343 0.312069 0.080936 O\n0.343889 0.922478 0.250000 O\n",
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{
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"created_at": "2022-09-04T14:38:02.984719Z",
"updated_at": "2022-09-04T14:38:02.984746Z",
"structure_string": "Ir4 F24\n1.0\n4.940801 -0.000000 0.000000\n-0.000000 8.527015 0.000000\n0.000000 0.000000 9.315857\nIr F\n4 24\ndirect\n0.589064 0.250000 0.126754 Ir\n0.910936 0.250000 0.626754 Ir\n0.410936 0.750000 0.873246 Ir\n0.089064 0.750000 0.373246 Ir\n0.931110 0.594504 0.257971 F\n0.068889 0.094504 0.742030 F\n0.103121 0.750000 0.754802 F\n0.896879 0.250000 0.245199 F\n0.568889 0.594504 0.757971 F\n0.603121 0.250000 0.745199 F\n0.068889 0.405497 0.742030 F\n0.431110 0.094504 0.242030 F\n0.251956 0.594416 0.988306 F\n0.717490 0.750000 0.992273 F\n0.782509 0.750000 0.492273 F\n0.431110 0.405497 0.242030 F\n0.396879 0.750000 0.254801 F\n0.751955 0.405585 0.511694 F\n0.248044 0.905585 0.488306 F\n0.282510 0.250000 0.007727 F\n0.568889 0.905497 0.757971 F\n0.748044 0.094416 0.011694 F\n0.217490 0.250000 0.507727 F\n0.931110 0.905497 0.257971 F\n0.251956 0.905585 0.988306 F\n0.248044 0.594416 0.488306 F\n0.748044 0.405585 0.011694 F\n0.751955 0.094416 0.511694 F\n",
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{
"id": "jvasp-55936",
"created_at": "2022-09-04T14:38:03.129343Z",
"updated_at": "2022-09-04T14:38:03.129366Z",
"structure_string": "As8 O16\n1.0\n5.343042 -0.000000 0.000000\n-0.000000 7.304757 0.000000\n0.000000 0.000000 8.544340\nAs O\n8 16\ndirect\n0.250000 0.700410 0.768608 As\n0.750000 0.299590 0.231392 As\n0.750000 0.200410 0.731392 As\n0.250000 0.799590 0.268608 As\n0.250000 0.328393 0.569629 As\n0.750000 0.671608 0.430371 As\n0.750000 0.828393 0.930371 As\n0.250000 0.171608 0.069629 As\n0.505230 0.320822 0.080593 O\n0.005231 0.679178 0.919407 O\n0.505230 0.179178 0.580593 O\n0.005231 0.820823 0.419407 O\n0.494769 0.679178 0.919407 O\n0.994769 0.320822 0.080593 O\n0.250000 0.054449 0.249305 O\n0.250000 0.054151 0.902684 O\n0.750000 0.554449 0.250695 O\n0.250000 0.445551 0.749305 O\n0.994769 0.179178 0.580593 O\n0.750000 0.945849 0.097317 O\n0.750000 0.554151 0.597317 O\n0.250000 0.445849 0.402683 O\n0.750000 0.945551 0.750695 O\n0.494769 0.820823 0.419407 O\n",
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{
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"created_at": "2022-09-04T14:38:03.202471Z",
"updated_at": "2022-09-04T14:38:03.202494Z",
"structure_string": "Co8 Si4 O16\n1.0\n4.868089 0.000000 0.000000\n0.000000 5.915128 0.000000\n0.000000 0.000000 10.155555\nCo Si O\n8 4 16\ndirect\n0.507258 0.250000 0.230573 Co\n0.992742 0.250000 0.730573 Co\n0.492742 0.750000 0.769427 Co\n0.007258 0.750000 0.269427 Co\n0.500000 0.500000 0.500000 Co\n0.000000 0.500000 0.000000 Co\n0.500000 0.000000 0.500000 Co\n0.000000 0.000000 0.000000 Co\n0.569367 0.750000 0.093910 Si\n0.069367 0.250000 0.406090 Si\n0.430633 0.250000 0.906090 Si\n0.930633 0.750000 0.593910 Si\n0.732612 0.250000 0.408180 O\n0.232612 0.750000 0.091820 O\n0.791064 0.750000 0.443839 O\n0.291064 0.250000 0.056161 O\n0.208936 0.250000 0.556161 O\n0.708936 0.750000 0.943839 O\n0.716319 0.971368 0.164962 O\n0.716319 0.528633 0.164962 O\n0.283681 0.471367 0.835038 O\n0.783681 0.528633 0.664963 O\n0.283681 0.028633 0.835038 O\n0.783681 0.971368 0.664963 O\n0.267388 0.750000 0.591820 O\n0.216319 0.471367 0.335038 O\n0.216319 0.028633 0.335038 O\n0.767388 0.250000 0.908181 O\n",
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{
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"created_at": "2022-09-04T14:38:03.362926Z",
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"structure_string": "B4 H16 N4 F16\n1.0\n7.029684 0.000000 0.000000\n0.000000 8.371927 0.000000\n-0.000000 0.000000 5.988424\nB H N F\n4 16 4 16\ndirect\n0.808433 0.585371 0.250000 B\n0.691566 0.085371 0.250000 B\n0.191566 0.414629 0.750000 B\n0.308433 0.914629 0.750000 B\n0.344268 0.609775 0.390147 H\n0.844268 0.890225 0.609853 H\n0.655732 0.390225 0.890146 H\n0.844268 0.890225 0.890146 H\n0.655732 0.390225 0.609853 H\n0.155732 0.109775 0.390147 H\n0.344268 0.609775 0.109853 H\n0.155732 0.109775 0.109853 H\n0.822239 0.285180 0.750000 H\n0.322239 0.214821 0.250000 H\n0.177760 0.714821 0.250000 H\n0.906450 0.722550 0.750000 H\n0.593550 0.222550 0.750000 H\n0.093550 0.277451 0.250000 H\n0.406450 0.777451 0.250000 H\n0.677760 0.785180 0.750000 H\n0.818633 0.821334 0.750000 N\n0.681366 0.321334 0.750000 N\n0.181367 0.178667 0.250000 N\n0.318633 0.678667 0.250000 N\n0.308806 0.419455 0.942537 F\n0.191193 0.919455 0.557462 F\n0.191193 0.919455 0.942537 F\n0.308806 0.419455 0.557462 F\n0.808806 0.080545 0.442538 F\n0.691193 0.580545 0.057462 F\n0.413996 0.770054 0.750000 F\n0.565340 0.954124 0.250000 F\n0.586003 0.229946 0.250000 F\n0.913996 0.729946 0.250000 F\n0.434660 0.045876 0.750000 F\n0.065340 0.545876 0.750000 F\n0.934659 0.454124 0.250000 F\n0.691193 0.580545 0.442538 F\n0.086003 0.270054 0.750000 F\n0.808806 0.080545 0.057462 F\n",
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"created_at": "2022-09-04T14:38:03.386916Z",
"updated_at": "2022-09-04T14:38:03.386937Z",
"structure_string": "Ca4 Sn4 S12\n1.0\n6.591084 0.000000 0.000000\n-0.000000 6.919671 0.000000\n0.000000 0.000000 10.022957\nCa Sn S\n4 4 12\ndirect\n0.758388 0.250000 0.899160 Ca\n0.258388 0.250000 0.600840 Ca\n0.241612 0.750000 0.100840 Ca\n0.741611 0.750000 0.399160 Ca\n0.129055 0.250000 0.244965 Sn\n0.629054 0.250000 0.255035 Sn\n0.870945 0.750000 0.755035 Sn\n0.370945 0.750000 0.744965 Sn\n0.611590 0.004077 0.653937 S\n0.111591 0.495923 0.846063 S\n0.611590 0.495923 0.653937 S\n0.111591 0.004077 0.846063 S\n0.388409 0.995923 0.346063 S\n0.402064 0.250000 0.049948 S\n0.597935 0.750000 0.950052 S\n0.097936 0.750000 0.549948 S\n0.888409 0.995923 0.153937 S\n0.902064 0.250000 0.450052 S\n0.888409 0.504077 0.153937 S\n0.388409 0.504077 0.346063 S\n",
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{
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"structure_string": "Li4 Mn4 P4 O16\n1.0\n5.317198 -0.000000 0.000000\n-0.000000 8.594108 0.000000\n0.000000 0.000000 9.104154\nLi Mn P O\n4 4 4 16\ndirect\n0.250000 0.126338 0.898128 Li\n0.750000 0.626338 0.601871 Li\n0.250000 0.373662 0.398128 Li\n0.750000 0.873662 0.101871 Li\n0.250000 0.374324 0.101664 Mn\n0.750000 0.874324 0.398336 Mn\n0.250000 0.125676 0.601664 Mn\n0.750000 0.625676 0.898335 Mn\n0.250000 0.029146 0.244567 P\n0.750000 0.529146 0.255433 P\n0.250000 0.470854 0.744567 P\n0.750000 0.970854 0.755432 P\n0.988275 0.426193 0.255736 O\n0.750000 0.633964 0.115715 O\n0.250000 0.133963 0.384285 O\n0.011726 0.926193 0.244264 O\n0.488274 0.926193 0.244264 O\n0.750000 0.633421 0.394116 O\n0.250000 0.366579 0.605884 O\n0.488274 0.573808 0.744263 O\n0.988275 0.073808 0.755736 O\n0.750000 0.866037 0.615715 O\n0.250000 0.366037 0.884285 O\n0.011726 0.573808 0.744263 O\n0.511726 0.426193 0.255736 O\n0.750000 0.866579 0.894115 O\n0.511726 0.073808 0.755736 O\n0.250000 0.133421 0.105884 O\n",
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"elements": [
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],
"chemical_system": "Li-Mn-O-P",
"density": 2.504214371563373,
"density_atomic": 0.06730305781601706,
"volume": 416.0286457792478,
"volume_molar": 8.947796660981465,
"formula_full": "Li4 Mn4 P4 O16",
"formula_reduced": "LiMnPO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.55415810591133,
"spacegroup": 62
},
{
"id": "jvasp-55819",
"created_at": "2022-09-04T14:38:03.423775Z",
"updated_at": "2022-09-04T14:38:03.423791Z",
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"chemical_system": "Dy-O-V",
"density": 7.697063635042715,
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"volume": 225.608546840486,
"volume_molar": 6.793232128662299,
"formula_full": "Dy4 V4 O12",
"formula_reduced": "DyVO3",
"formula_anonymous": "ABC3",
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}
]
}