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{
"id": "jvasp-47823",
"created_at": "2022-09-04T14:36:44.285380Z",
"updated_at": "2022-09-04T14:36:44.285390Z",
"structure_string": "Li3 Fe3 Si3 O12\n1.0\n2.690915 -4.660802 -0.000000\n2.690915 4.660802 0.000000\n-0.000000 -0.000000 12.099466\nLi Fe Si O\n3 3 3 12\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.000000 0.333333 Li\n0.000000 0.000000 0.666667 Li\n0.000001 0.500000 0.833333 Fe\n0.500001 0.500001 0.166667 Fe\n0.500000 0.000001 0.500000 Fe\n0.000001 0.500000 0.333333 Si\n0.500001 0.500001 0.666667 Si\n0.500000 0.000001 0.000000 Si\n0.815008 0.605752 0.258763 O\n0.790746 0.605752 0.741237 O\n0.394249 0.184993 0.074570 O\n0.394249 0.209256 0.592096 O\n0.605752 0.790746 0.592096 O\n0.209256 0.815008 0.925431 O\n0.209256 0.394249 0.741237 O\n0.184993 0.394249 0.258763 O\n0.790746 0.184994 0.925431 O\n0.184994 0.790746 0.407904 O\n0.605752 0.815008 0.074570 O\n0.815008 0.209256 0.407904 O\n",
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{
"id": "jvasp-44445",
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"updated_at": "2022-09-04T14:36:54.870245Z",
"structure_string": "Li4 Nb4 Cr4 O16\n1.0\n6.133253 0.000079 0.000156\n-0.000072 6.133254 0.000076\n-0.000089 -0.000371 8.278648\nLi Nb Cr O\n4 4 4 16\ndirect\n0.760800 -0.000000 -0.000002 Li\n0.239196 -0.000001 0.500000 Li\n0.000000 0.239198 0.250002 Li\n0.000002 0.760803 0.750002 Li\n0.754892 0.245103 0.625000 Nb\n0.245112 0.245115 0.875001 Nb\n0.754892 0.754893 0.375000 Nb\n0.245106 0.754890 0.125001 Nb\n0.499999 0.751215 0.750000 Cr\n0.248784 0.500002 0.500000 Cr\n0.751215 0.499998 0.000001 Cr\n0.500002 0.248785 0.250001 Cr\n0.018304 0.739743 0.495073 O\n-0.018308 0.739740 0.004929 O\n0.512848 0.735087 0.994727 O\n0.487147 0.735087 0.505272 O\n0.264913 0.512849 0.744729 O\n0.735088 0.512849 0.755274 O\n0.264912 0.487157 0.255271 O\n0.260260 0.018311 0.245072 O\n0.487155 0.264910 0.494731 O\n0.512851 0.264914 0.005273 O\n0.018309 0.260260 0.504927 O\n-0.018306 0.260254 -0.004927 O\n0.739741 -0.018307 0.745073 O\n0.739743 0.018303 0.254927 O\n0.735085 0.487145 0.244728 O\n0.260255 -0.018306 0.754927 O\n",
"nsites": 28,
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],
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"formula_full": "Li4 Nb4 Cr4 O16",
"formula_reduced": "LiNbCrO4",
"formula_anonymous": "ABCD4",
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"spacegroup": 95
},
{
"id": "jvasp-47822",
"created_at": "2022-09-04T14:37:05.858759Z",
"updated_at": "2022-09-04T14:37:05.858778Z",
"structure_string": "Li2 Fe2 Si2 O8\n1.0\n2.755052 4.098498 -0.000000\n-2.755052 4.098498 -0.000000\n0.000000 -0.000000 6.150216\nLi Fe Si O\n2 2 2 8\ndirect\n0.169749 0.169749 0.250000 Li\n0.830252 0.830252 0.750001 Li\n0.500000 0.500000 0.000000 Fe\n0.500000 0.500000 0.500000 Fe\n0.151950 0.151950 0.750001 Si\n0.848051 0.848051 0.250000 Si\n0.262367 0.786992 0.750001 O\n0.213008 0.737634 0.250000 O\n0.266033 0.266033 0.532748 O\n0.733967 0.733967 0.032748 O\n0.266033 0.266033 0.967253 O\n0.733967 0.733967 0.467252 O\n0.786992 0.262367 0.750001 O\n0.737634 0.213008 0.250000 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
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],
"chemical_system": "Fe-Li-O-Si",
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"volume": 138.89125183676916,
"volume_molar": 5.974447634954518,
"formula_full": "Li2 Fe2 Si2 O8",
"formula_reduced": "LiFeSiO4",
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"spacegroup": 63
},
{
"id": "jvasp-101175",
"created_at": "2022-09-04T14:37:01.135193Z",
"updated_at": "2022-09-04T14:37:01.135212Z",
"structure_string": "La1 Nd1 Cu1 O4\n1.0\n3.805125 -0.011443 -5.662493\n-0.362927 3.787795 -5.662493\n0.010431 0.011443 6.822221\nLa Nd Cu O\n1 1 1 4\ndirect\n0.350343 0.350343 0.000001 La\n0.647857 0.647858 0.000002 Nd\n0.002849 0.002849 0.000000 Cu\n0.747442 0.247442 0.500001 O\n0.247441 0.747443 0.500001 O\n0.002034 0.502034 0.500000 O\n0.502035 0.002034 0.500001 O\n",
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"elements": [
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},
{
"id": "jvasp-101720",
"created_at": "2022-09-04T14:36:42.763630Z",
"updated_at": "2022-09-04T14:36:42.763648Z",
"structure_string": "Ga1 Ag1 Sn1 Se4\n1.0\n5.377381 0.080614 -4.359982\n-1.172184 5.248687 -4.359982\n-0.063610 -0.080614 6.922545\nGa Ag Sn Se\n1 1 1 4\ndirect\n0.500000 0.500000 0.000000 Ga\n0.250001 0.750001 0.500001 Ag\n0.750000 0.250000 0.500000 Sn\n0.659528 0.650163 0.520769 Se\n0.129394 0.138760 0.479232 Se\n0.861241 0.340472 0.990635 Se\n0.349838 0.870606 0.009366 Se\n",
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"elements": [
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"Se"
],
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"density_atomic": 0.03640106837698921,
"volume": 192.30204804716726,
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"formula_full": "Ga1 Ag1 Sn1 Se4",
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"formula_anonymous": "ABCD4",
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"spacegroup": 82
},
{
"id": "jvasp-104713",
"created_at": "2022-09-04T14:37:00.309279Z",
"updated_at": "2022-09-04T14:37:00.309305Z",
"structure_string": "Na1 Ti1 V1 S4\n1.0\n7.095234 -0.036991 0.969792\n6.279372 3.303513 0.969792\n-0.015496 -0.003785 5.898650\nNa Ti V S\n1 1 1 4\ndirect\n0.243908 0.243911 0.898631 Na\n0.493826 0.493827 0.492290 Ti\n0.991787 0.991787 0.016526 V\n0.892491 0.892493 0.704659 S\n0.387613 0.387614 0.205187 S\n0.592456 0.592458 0.810454 S\n0.098910 0.098911 0.305250 S\n",
"nsites": 7,
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"elements": [
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],
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"density_atomic": 0.05011348583743305,
"volume": 139.6829592478925,
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"formula_full": "Na1 Ti1 V1 S4",
"formula_reduced": "NaTiVS4",
"formula_anonymous": "ABCD4",
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"spacegroup": 8
},
{
"id": "jvasp-47811",
"created_at": "2022-09-04T14:37:00.734174Z",
"updated_at": "2022-09-04T14:37:00.734202Z",
"structure_string": "Li3 Fe3 Si3 O12\n1.0\n2.749404 -4.762108 0.000000\n2.749404 4.762108 -0.000000\n0.000000 -0.000000 11.437591\nLi Fe Si O\n3 3 3 12\ndirect\n0.000000 0.000000 0.833333 Li\n0.000000 0.000000 0.500000 Li\n0.000000 0.000000 0.166667 Li\n0.500000 -0.000001 0.500000 Fe\n0.499999 0.499999 0.166667 Fe\n-0.000001 0.500000 0.833333 Fe\n0.500000 -0.000001 0.000000 Si\n0.499999 0.499999 0.666667 Si\n-0.000001 0.500000 0.333333 Si\n0.393522 0.221544 0.582954 O\n0.393523 0.171978 0.083713 O\n0.778455 0.606476 0.750379 O\n0.828020 0.606476 0.249621 O\n0.171978 0.393523 0.249621 O\n0.221543 0.828021 0.916287 O\n0.606476 0.828020 0.083713 O\n0.606476 0.778455 0.582954 O\n0.778455 0.171978 0.916287 O\n0.171978 0.778455 0.417046 O\n0.221544 0.393522 0.750379 O\n0.828021 0.221543 0.417046 O\n",
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"density_atomic": 0.07011596828375441,
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"formula_full": "Li3 Fe3 Si3 O12",
"formula_reduced": "LiFeSiO4",
"formula_anonymous": "ABCD4",
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"spacegroup": 181
},
{
"id": "jvasp-102676",
"created_at": "2022-09-04T14:36:55.109968Z",
"updated_at": "2022-09-04T14:36:55.109990Z",
"structure_string": "Sr1 Sm1 Al1 O4\n1.0\n3.591778 0.007925 -5.668008\n-0.295751 3.579590 -5.668008\n-0.007281 -0.007925 6.710226\nSr Sm Al O\n1 1 1 4\ndirect\n0.644481 0.644481 0.000001 Sr\n0.360026 0.360026 0.000000 Sm\n0.003111 0.003111 0.000000 Al\n0.838990 0.838991 0.000001 O\n0.167434 0.167434 0.000000 O\n0.992981 0.492981 0.500001 O\n0.492981 0.992980 0.500000 O\n",
"nsites": 7,
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"elements": [
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],
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"density": 6.35412467118235,
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"volume": 85.96770274869976,
"volume_molar": 7.395851525235841,
"formula_full": "Sr1 Sm1 Al1 O4",
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"spacegroup": 107
},
{
"id": "jvasp-47449",
"created_at": "2022-09-04T14:37:01.290268Z",
"updated_at": "2022-09-04T14:37:01.290299Z",
"structure_string": "Li2 Mn2 Si2 O8\n1.0\n-4.316848 3.932867 0.090502\n4.316848 0.090502 3.932867\n4.316848 3.932867 0.090502\nLi Mn Si O\n2 2 2 8\ndirect\n0.991897 -0.000001 0.008104 Li\n0.258103 0.500000 0.241897 Li\n0.625000 0.249999 0.625001 Mn\n0.125000 0.750000 0.625000 Mn\n0.625000 0.250000 0.125000 Si\n0.625000 0.750000 0.625001 Si\n0.838297 0.211121 0.372825 O\n0.838149 0.736387 0.425465 O\n0.411852 0.236386 0.351761 O\n0.838149 0.263613 0.898240 O\n0.411703 0.288878 0.877176 O\n0.833947 0.711121 0.877176 O\n0.416053 0.788879 0.372825 O\n0.411851 0.763613 0.824536 O\n",
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"formula_full": "Li2 Mn2 Si2 O8",
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"spacegroup": 74
},
{
"id": "jvasp-47837",
"created_at": "2022-09-04T14:37:04.983581Z",
"updated_at": "2022-09-04T14:37:04.983604Z",
"structure_string": "Li4 Fe4 Si4 O16\n1.0\n5.566021 0.000000 0.000000\n0.000000 5.566021 0.000000\n0.000000 0.000000 7.837684\nLi Fe Si O\n4 4 4 16\ndirect\n0.768485 0.000000 0.750000 Li\n0.231515 0.000000 0.250000 Li\n0.000000 0.768485 0.500000 Li\n0.000000 0.231515 0.000000 Li\n0.500000 0.753926 0.500000 Fe\n0.753926 0.500000 0.750000 Fe\n0.246073 0.500000 0.250000 Fe\n0.500000 0.246073 0.000000 Fe\n0.251568 0.251568 0.625000 Si\n0.748432 0.251568 0.375000 Si\n0.251568 0.748432 0.874999 Si\n0.748432 0.748432 0.125000 Si\n0.004306 0.262215 0.739460 O\n0.995694 0.262215 0.260539 O\n0.497107 0.260209 0.752703 O\n0.502893 0.260209 0.247296 O\n0.260209 0.502893 0.002703 O\n0.739791 0.502893 -0.002703 O\n0.260209 0.497107 0.497296 O\n0.262215 0.004306 0.510539 O\n0.497107 0.739791 0.747296 O\n0.502893 0.739791 0.252703 O\n0.995694 0.737785 0.239460 O\n0.004306 0.737785 0.760539 O\n0.737785 0.995694 0.010540 O\n0.737785 0.004306 0.489460 O\n0.739791 0.497107 0.502703 O\n0.262215 0.995694 0.989460 O\n",
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},
{
"id": "jvasp-45762",
"created_at": "2022-09-04T14:38:03.817760Z",
"updated_at": "2022-09-04T14:38:03.817787Z",
"structure_string": "Li4 V4 C4 O16\n1.0\n0.000000 3.100940 -0.011199\n9.305762 0.000000 0.000000\n0.000000 -0.209092 -9.197586\nLi V C O\n4 4 4 16\ndirect\n0.737760 0.186283 0.402436 Li\n0.737760 0.313717 0.902436 Li\n0.262240 0.686283 0.097565 Li\n0.262241 0.813717 0.597565 Li\n0.775437 0.562293 0.386893 V\n0.775438 0.937706 0.886893 V\n0.224563 0.062293 0.113107 V\n0.224563 0.437707 0.613108 V\n0.250900 0.129967 0.664785 C\n0.250900 0.370033 0.164785 C\n0.749101 0.629967 0.835216 C\n0.749101 0.870033 0.335215 C\n0.263953 0.006833 0.740722 O\n0.271989 0.616867 0.503645 O\n0.247266 0.126383 0.528955 O\n0.239679 0.249882 0.238411 O\n0.263953 0.493167 0.240722 O\n0.247265 0.373617 0.028955 O\n0.752735 0.626383 0.971046 O\n0.760321 0.749882 0.261589 O\n0.760322 0.750118 0.761590 O\n0.752735 0.873616 0.471046 O\n0.728012 0.383133 0.496356 O\n0.736048 0.993167 0.259279 O\n0.239679 0.250118 0.738411 O\n0.728012 0.116867 -0.003644 O\n0.736048 0.506833 0.759279 O\n0.271989 0.883133 0.003644 O\n",
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"formula_full": "Li4 V4 C4 O16",
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"formula_anonymous": "ABCD4",
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"spacegroup": 14
},
{
"id": "jvasp-45849",
"created_at": "2022-09-04T14:37:59.646853Z",
"updated_at": "2022-09-04T14:37:59.646884Z",
"structure_string": "Li2 Co2 P2 O8\n1.0\n4.904721 -0.089804 -0.084495\n-2.530134 4.382320 0.168992\n-0.147802 0.256001 8.674891\nLi Co P O\n2 2 2 8\ndirect\n-0.119425 0.949847 0.686228 Li\n0.119426 0.069275 0.186228 Li\n0.409193 0.691836 0.355017 Co\n0.590809 0.282645 0.855017 Co\n0.276754 0.639424 0.723989 P\n0.723247 0.362671 0.223990 P\n-0.054473 0.608983 0.724785 O\n0.452937 0.786228 0.568197 O\n0.510491 0.862562 0.843667 O\n0.228460 0.313234 0.758565 O\n0.489511 0.352073 0.343667 O\n0.547064 0.333292 0.068197 O\n0.771542 0.084775 0.258565 O\n0.054475 0.663457 0.224785 O\n",
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"volume": 184.27758020430258,
"volume_molar": 7.926753763589284,
"formula_full": "Li2 Co2 P2 O8",
"formula_reduced": "LiCoPO4",
"formula_anonymous": "ABCD4",
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"spacegroup": 9
}
]
}