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{
"id": "jvasp-11719",
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"structure_string": "Li1 Co1 C4 O4\n1.0\n5.580355 0.000250 -0.000376\n0.000250 5.580302 0.000094\n-0.000376 0.000094 5.580352\nLi Co C O\n1 1 4 4\ndirect\n0.000011 0.999959 0.000023 Li\n0.499996 0.500024 0.499979 Co\n0.318721 0.681295 0.681262 C\n0.681270 0.681292 0.318710 C\n0.318713 0.318738 0.318705 C\n0.681280 0.318729 0.681275 C\n0.197227 0.802765 0.802788 O\n0.197217 0.197210 0.197231 O\n0.802783 0.802771 0.197227 O\n0.802773 0.197210 0.802792 O\n",
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{
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{
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"structure_string": "Ba2 Y1 Sb1 O6\n1.0\n5.721782 0.000000 3.303472\n1.907261 5.394547 3.303472\n0.000000 0.000000 6.606944\nBa Y Sb O\n2 1 1 6\ndirect\n0.750000 0.750000 0.749999 Ba\n0.250000 0.250000 0.250000 Ba\n0.000000 0.000000 0.000000 Y\n0.500000 0.500000 0.499999 Sb\n0.500000 0.000000 0.500000 O\n-0.000000 0.500000 -0.000000 O\n-0.000000 0.500000 0.499999 O\n0.500000 0.500000 -0.000000 O\n0.500000 0.000000 -0.000000 O\n0.000000 0.000000 0.500000 O\n",
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"formula_full": "Ba2 Y1 Sb1 O6",
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"spacegroup": 225
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{
"id": "jvasp-109104",
"created_at": "2022-09-04T14:38:14.127966Z",
"updated_at": "2022-09-04T14:38:14.127993Z",
"structure_string": "Rb2 Li1 V1 Cl6\n1.0\n6.932586 -0.000000 0.000000\n-3.466293 6.003796 0.000000\n-0.000000 -0.000000 5.932204\nRb Li V Cl\n2 1 1 6\ndirect\n0.333334 0.666667 0.251603 Rb\n0.666667 0.333334 0.748397 Rb\n0.000000 0.000000 0.000000 Li\n0.000000 0.000000 0.500000 V\n0.838278 0.161723 0.264347 Cl\n0.161724 0.838278 0.735653 Cl\n0.838278 0.676554 0.264347 Cl\n0.161723 0.323446 0.735653 Cl\n0.323446 0.161723 0.264347 Cl\n0.676555 0.838278 0.735653 Cl\n",
"nsites": 10,
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"spacegroup": 164
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{
"id": "jvasp-97925",
"created_at": "2022-09-04T14:38:12.064087Z",
"updated_at": "2022-09-04T14:38:12.064110Z",
"structure_string": "Mn2 Ag8 Sb4 S12\n1.0\n6.666200 0.000000 -0.273105\n0.000000 7.980418 0.000000\n0.061037 0.000000 10.563819\nMn Ag Sb S\n2 8 4 12\ndirect\n0.000000 0.500000 0.500000 Mn\n0.500000 0.000000 0.000000 Mn\n0.737698 0.466626 0.974230 Ag\n0.427841 0.807156 0.676273 Ag\n0.072160 0.307156 0.823727 Ag\n0.572160 0.192845 0.323727 Ag\n0.927840 0.692845 0.176274 Ag\n0.237698 0.033374 0.474229 Ag\n0.262302 0.533374 0.025771 Ag\n0.762302 0.966626 0.525771 Ag\n0.532074 0.357097 0.691096 Sb\n0.032074 0.142903 0.191095 Sb\n0.467926 0.642903 0.308905 Sb\n0.967926 0.857097 0.808905 Sb\n0.848133 0.241051 0.606671 S\n0.348132 0.258950 0.106671 S\n0.151868 0.758950 0.393330 S\n0.329018 0.329048 0.484939 S\n0.170982 0.829048 0.015062 S\n0.670983 0.670952 0.515062 S\n0.829018 0.170952 0.984939 S\n0.124470 0.596514 0.719034 S\n0.375531 0.096514 0.780966 S\n0.875531 0.403486 0.280966 S\n0.651868 0.741051 0.893330 S\n0.624469 0.903486 0.219034 S\n",
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{
"id": "jvasp-46787",
"created_at": "2022-09-04T14:38:07.518738Z",
"updated_at": "2022-09-04T14:38:07.518773Z",
"structure_string": "Li4 Si4 Ni4 O14\n1.0\n5.015066 0.000000 0.000000\n-2.507533 4.112912 0.000000\n0.000000 0.000000 13.057951\nLi Si Ni O\n4 4 4 14\ndirect\n0.341689 0.594450 0.583241 Li\n0.341689 0.594450 0.916759 Li\n0.747239 0.405549 0.416759 Li\n0.747239 0.405549 0.083241 Li\n0.398683 0.702607 0.363633 Si\n0.398683 0.702607 0.136367 Si\n0.696076 0.297393 0.636367 Si\n0.696076 0.297393 0.863632 Si\n0.014176 0.996356 0.750000 Ni\n0.017819 0.003643 0.250000 Ni\n0.040040 0.000000 0.000000 Ni\n0.040040 0.000000 0.500000 Ni\n0.327909 0.193188 0.864917 O\n0.752618 0.027729 0.130255 O\n0.752618 0.027729 0.369745 O\n0.848825 0.487234 0.750000 O\n0.327909 0.193188 0.635083 O\n0.367973 0.446906 0.449333 O\n0.134721 0.806812 0.135083 O\n0.724889 0.972271 0.630255 O\n0.724889 0.972271 0.869745 O\n0.361590 0.512765 0.250000 O\n0.134721 0.806812 0.364917 O\n0.921069 0.553094 0.949333 O\n0.367973 0.446906 0.050667 O\n0.921069 0.553094 0.550667 O\n",
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"formula_full": "Li4 Si4 Ni4 O14",
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{
"id": "jvasp-112336",
"created_at": "2022-09-04T14:38:27.108994Z",
"updated_at": "2022-09-04T14:38:27.109014Z",
"structure_string": "Zn1 Cu1 P2 O7\n1.0\n5.234282 -0.040893 1.035708\n-1.254028 5.082007 1.035708\n-0.033770 -0.042771 4.557095\nZn Cu P O\n1 1 2 7\ndirect\n0.318921 0.681079 0.500000 Zn\n0.699429 0.300572 0.500000 Cu\n0.212755 0.203132 0.092016 P\n0.796868 0.787246 0.907984 P\n0.073333 0.369077 0.278964 O\n0.365039 0.045883 0.270103 O\n0.954117 0.634962 0.729896 O\n0.630923 0.926668 0.721036 O\n0.392247 0.371517 0.782123 O\n0.628484 0.607753 0.217876 O\n-0.015316 0.015316 -0.000000 O\n",
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"spacegroup": 5
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{
"id": "jvasp-108727",
"created_at": "2022-09-04T14:38:27.874461Z",
"updated_at": "2022-09-04T14:38:27.874490Z",
"structure_string": "U1 Mn1 Fe1 Si2\n1.0\n3.710853 0.000000 1.476193\n-0.587236 3.664094 1.476193\n0.004868 0.005710 5.390030\nU Mn Fe Si\n1 1 1 2\ndirect\n0.000000 0.000000 0.000000 U\n0.249999 0.749999 0.500000 Mn\n0.749999 0.250000 0.500000 Fe\n0.368875 0.368875 0.262249 Si\n0.631124 0.631124 0.737751 Si\n",
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],
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},
{
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"created_at": "2022-09-04T14:38:27.115852Z",
"updated_at": "2022-09-04T14:38:27.115871Z",
"structure_string": "Nd2 Ta2 Cl2 O7\n1.0\n-3.945806 -0.000002 -0.000114\n-0.000076 -6.955380 0.012971\n1.972862 3.128729 7.061052\nNd Ta Cl O\n2 2 2 7\ndirect\n0.307954 0.834215 0.615905 Nd\n0.692049 0.165784 0.384095 Nd\n0.965491 0.201845 0.930974 Ta\n0.034512 0.798154 0.069026 Ta\n0.677672 0.565906 0.355343 Cl\n0.322331 0.434093 0.644657 Cl\n0.455481 0.163108 0.910958 O\n0.544522 0.836891 0.089042 O\n0.918068 0.846777 0.836138 O\n0.000000 0.500000 -0.000000 O\n0.824992 0.069779 0.649984 O\n0.081934 0.153222 0.163862 O\n0.175010 0.930221 0.350017 O\n",
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{
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"created_at": "2022-09-04T14:38:07.149167Z",
"updated_at": "2022-09-04T14:38:07.149195Z",
"structure_string": "Li4 Ti2 Cr4 O12\n1.0\n5.090984 0.003029 0.000000\n-2.555784 4.402964 -0.000000\n0.000000 0.000000 9.987324\nLi Ti Cr O\n4 2 4 12\ndirect\n0.147994 0.647993 0.750000 Li\n0.352006 0.852005 0.250000 Li\n0.647994 0.147994 0.750000 Li\n0.852005 0.352006 0.250000 Li\n0.000000 0.000000 0.000000 Ti\n0.500000 0.500000 0.500000 Ti\n0.163623 0.836376 0.500000 Cr\n0.336377 0.663622 0.000000 Cr\n0.663622 0.336377 0.000000 Cr\n0.836377 0.163623 0.500000 Cr\n0.505946 0.165724 0.392588 O\n0.828949 0.828949 0.398959 O\n0.334276 0.994053 0.892588 O\n0.671051 0.671050 0.898959 O\n0.328949 0.328949 0.101041 O\n0.005946 0.665724 0.107412 O\n0.494054 0.834275 0.607412 O\n0.165724 0.505946 0.392588 O\n0.994053 0.334276 0.892588 O\n0.834275 0.494054 0.607412 O\n0.171051 0.171051 0.601041 O\n0.665724 0.005946 0.107412 O\n",
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{
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"structure_string": "Cd1 Ag2 Sn1 S4\n1.0\n4.075417 0.000000 0.000000\n0.000000 6.823322 0.045204\n0.000000 0.032710 7.251589\nCd Ag Sn S\n1 2 1 4\ndirect\n-0.000000 0.110470 0.173996 Cd\n0.500000 0.135978 0.669687 Ag\n0.500000 0.647648 0.311895 Ag\n-0.000000 0.635238 0.843079 Sn\n0.500000 0.510375 0.665034 S\n-0.000000 0.495155 0.151433 S\n0.500000 0.010118 0.347591 S\n-0.000000 0.990215 0.837282 S\n",
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"volume": 201.64530866633098,
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"formula_full": "Cd1 Ag2 Sn1 S4",
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{
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"created_at": "2022-09-04T14:38:14.124558Z",
"updated_at": "2022-09-04T14:38:14.124581Z",
"structure_string": "Li4 Fe2 O4 F2\n1.0\n5.032151 -0.041969 -0.001430\n1.541425 4.819793 0.000858\n0.772138 2.408463 4.493815\nLi Fe O F\n4 2 4 2\ndirect\n0.500572 0.998599 0.498744 Li\n0.000574 0.498595 0.498704 Li\n0.500597 0.669110 0.157680 Li\n0.500611 0.328030 0.839807 Li\n0.000605 0.808217 0.879414 Fe\n0.000595 0.188919 0.118017 Fe\n0.765496 0.589338 0.834716 O\n0.235701 0.071813 0.834704 O\n0.235688 0.407819 0.162708 O\n0.765500 0.925342 0.162710 O\n0.742576 0.252054 0.498722 F\n0.258607 0.745102 0.498709 F\n",
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],
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]
}