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"structure_string": "Li7 Mn4 Co1 O12\n1.0\n2.845111 0.049093 0.049976\n-0.224527 14.283679 -0.244579\n-0.089562 0.037850 4.929855\nLi Mn Co O\n7 4 1 12\ndirect\n0.000029 0.168330 0.665056 Li\n0.500943 0.511245 0.499379 Li\n-0.001045 0.811281 0.307619 Li\n0.500017 0.169837 0.171496 Li\n0.001116 0.520282 0.025717 Li\n0.499094 0.819319 0.830507 Li\n0.500029 0.665838 0.165775 Li\n0.000476 0.000482 -0.003029 Mn\n0.000036 0.665612 0.665807 Mn\n0.499448 0.334354 0.838369 Mn\n0.500487 0.000419 0.496626 Mn\n0.999460 0.333439 0.336985 Co\n0.500002 0.077399 0.832338 O\n-0.001011 0.403967 0.671725 O\n0.499530 0.740836 0.509412 O\n-0.000008 0.077560 0.332034 O\n0.498963 0.403717 0.168773 O\n-0.000257 0.744658 0.970265 O\n0.499926 0.259363 0.506323 O\n0.000309 0.586932 0.361479 O\n0.500992 0.927570 0.162141 O\n-0.000065 0.258356 0.001942 O\n0.500539 0.590578 0.822083 O\n0.000980 0.928627 0.661171 O\n",
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{
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"structure_string": "V4 P4 O16\n1.0\n4.765353 -0.000000 0.000000\n0.000000 5.714412 0.000000\n-0.000000 -0.000000 9.851712\nV P O\n4 4 16\ndirect\n0.550597 0.750000 0.269759 V\n0.949402 0.750000 0.769759 V\n0.449402 0.250000 0.730241 V\n0.050598 0.250000 0.230241 V\n0.111694 0.750000 0.088253 P\n0.388306 0.750000 0.588253 P\n0.888306 0.250000 0.911747 P\n0.611694 0.250000 0.411747 P\n0.820839 0.250000 0.062240 O\n0.179160 0.750000 0.937760 O\n0.702950 0.750000 0.612380 O\n0.260678 0.959845 0.165998 O\n0.297050 0.250000 0.387620 O\n0.797049 0.750000 0.112380 O\n0.760678 0.040154 0.334002 O\n0.239321 0.959845 0.665998 O\n0.239321 0.540154 0.665998 O\n0.739321 0.040154 0.834002 O\n0.679160 0.250000 0.562239 O\n0.260678 0.540154 0.165998 O\n0.760678 0.459846 0.334002 O\n0.202950 0.250000 0.887620 O\n0.739321 0.459846 0.834002 O\n0.320839 0.750000 0.437760 O\n",
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{
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"structure_string": "Li8 Cr3 Sb1 O12\n1.0\n4.958603 0.022351 0.010755\n-0.026547 4.977815 0.008882\n-0.018326 -0.015356 8.484632\nLi Cr Sb O\n8 3 1 12\ndirect\n0.500104 -0.001309 0.073520 Li\n0.500041 0.499756 0.249452 Li\n0.500031 0.499329 0.934431 Li\n0.000054 0.500211 0.280981 Li\n0.000009 0.500296 0.577261 Li\n0.499964 0.999880 0.764818 Li\n-0.000037 0.000189 0.739697 Li\n0.000043 0.000392 0.444781 Li\n0.499981 0.500006 0.598231 Cr\n0.500017 0.999992 0.426051 Cr\n-0.000022 0.500137 0.901917 Cr\n0.000038 0.000200 0.099396 Sb\n0.251459 0.845324 0.259853 O\n0.224777 0.826513 0.925544 O\n0.281736 0.824536 0.582313 O\n0.716711 0.675534 0.435031 O\n0.776892 0.667107 0.080158 O\n0.750352 0.643899 0.754779 O\n0.249544 0.356173 0.754777 O\n0.223010 0.333247 0.080166 O\n0.283262 0.324492 0.435020 O\n0.718178 0.175498 0.582357 O\n0.775155 0.173638 0.925569 O\n0.748721 0.154779 0.259974 O\n",
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{
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"created_at": "2022-09-04T14:38:47.137725Z",
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"structure_string": "Y6 Cu2 Si2 Se14\n1.0\n10.323705 -0.000000 0.000000\n-5.161853 8.940590 0.000000\n-0.000000 -0.000000 6.014837\nY Cu Si Se\n6 2 2 14\ndirect\n0.222517 0.356227 0.923117 Y\n0.643773 0.866290 0.923117 Y\n0.866290 0.222517 0.423117 Y\n0.777483 0.643773 0.423117 Y\n0.133710 0.777483 0.923117 Y\n0.356227 0.133710 0.423117 Y\n0.000000 0.000000 0.969587 Cu\n0.000000 0.000000 0.469586 Cu\n0.666666 0.333333 0.834646 Si\n0.333333 0.666667 0.334646 Si\n0.100634 0.837668 0.452945 Se\n0.899366 0.162332 0.952945 Se\n0.666666 0.333333 0.213121 Se\n0.901200 0.478746 0.678791 Se\n0.333333 0.666667 0.713121 Se\n0.577545 0.098799 0.678791 Se\n0.422455 0.901201 0.178791 Se\n0.478746 0.577545 0.178791 Se\n0.162332 0.262965 0.452945 Se\n0.262965 0.100633 0.952945 Se\n0.098799 0.521254 0.178791 Se\n0.837668 0.737035 0.952945 Se\n0.737035 0.899367 0.452945 Se\n0.521254 0.422455 0.678791 Se\n",
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{
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"structure_string": "Li7 Mn2 Co3 O12\n1.0\n2.836979 -0.068999 0.030396\n0.122801 5.591196 1.297972\n-0.135991 -0.126406 12.433062\nLi Mn Co O\n7 2 3 12\ndirect\n0.000033 0.517944 0.979192 Li\n0.500088 0.345982 0.827416 Li\n0.499829 0.669735 0.162626 Li\n-0.000074 0.832856 0.334881 Li\n0.500065 0.991514 0.509324 Li\n0.000200 0.145049 0.682643 Li\n0.500054 0.825204 0.829516 Li\n-0.000016 0.001249 0.993164 Mn\n0.999946 0.332667 0.334861 Mn\n0.500005 0.499348 0.500633 Co\n0.499950 0.166443 0.167800 Co\n0.000034 0.668625 0.669767 Co\n0.000032 0.270767 0.492181 O\n0.499933 0.228708 0.010613 O\n0.000013 0.082970 0.847719 O\n0.999903 0.393005 0.176100 O\n0.499905 0.563966 0.337068 O\n-0.000028 0.721027 0.505760 O\n0.499996 0.892767 0.665891 O\n0.500022 0.774755 0.002536 O\n0.000064 0.587263 0.821483 O\n-0.000006 0.943677 0.162730 O\n0.499989 0.101934 0.329843 O\n0.500064 0.442545 0.656252 O\n",
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},
{
"id": "jvasp-112543",
"created_at": "2022-09-04T14:38:40.673776Z",
"updated_at": "2022-09-04T14:38:40.673811Z",
"structure_string": "Ho4 Ni4 B16\n1.0\n6.261097 -0.007734 -2.647591\n-2.753797 5.622988 -2.647591\n0.004831 0.007734 6.797871\nHo Ni B\n4 4 16\ndirect\n0.794804 0.794805 0.000001 Ho\n0.205196 0.205196 0.000000 Ho\n0.750000 0.250000 0.500000 Ho\n0.250000 0.750000 0.500000 Ho\n0.271278 0.500000 0.771278 Ni\n0.728722 0.500001 0.228722 Ni\n0.500000 0.728722 0.228722 Ni\n0.500000 0.271278 0.771278 Ni\n0.418890 0.418890 0.531542 B\n0.887348 0.887348 0.468458 B\n0.581111 0.112653 0.000000 B\n0.112652 0.581111 0.000000 B\n0.581111 0.581111 0.468458 B\n0.112652 0.112652 0.531542 B\n0.888942 0.724983 0.613925 B\n0.724983 0.111059 0.836042 B\n0.888942 0.275018 0.163959 B\n0.111058 0.724983 0.836041 B\n0.887348 0.418890 0.000001 B\n0.275017 0.888942 0.163959 B\n0.724983 0.888942 0.613925 B\n0.275017 0.111059 0.386076 B\n0.111059 0.275017 0.386076 B\n0.418890 0.887348 0.000000 B\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Ho",
"Ni",
"B"
],
"chemical_system": "B-Ho-Ni",
"density": 7.403067951557176,
"density_atomic": 0.100234641961633,
"volume": 239.43817756326726,
"volume_molar": 6.00804336918279,
"formula_full": "Ho4 Ni4 B16",
"formula_reduced": "HoNiB4",
"formula_anonymous": "ABC4",
"energy_above_hull": 3.661001383333333,
"spacegroup": 139
}
]
}