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{
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{
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"structure_string": "Li6 Mn2 Co2 O10\n1.0\n4.886562 -0.002388 1.026375\n4.066407 2.709766 1.026375\n-0.029924 -0.009049 12.494933\nLi Mn Co O\n6 2 2 10\ndirect\n0.701530 0.701530 0.103196 Li\n0.102828 0.102828 0.318996 Li\n0.497483 0.497483 0.494913 Li\n0.902688 0.902688 0.691118 Li\n0.300233 0.300232 0.892438 Li\n0.793699 0.793700 0.407675 Li\n0.000187 0.000187 -0.003604 Mn\n0.402642 0.402642 0.207851 Mn\n0.599911 0.599911 0.798712 Co\n0.198238 0.198238 0.596752 Co\n0.562805 0.562804 0.656176 O\n0.040634 0.040633 0.141803 O\n0.454970 0.454970 0.334574 O\n0.830167 0.830167 0.557426 O\n0.231327 0.231326 0.749409 O\n0.638953 0.638952 0.948306 O\n0.364113 0.364114 0.046873 O\n0.769979 0.769979 0.242336 O\n0.146501 0.146500 0.463152 O\n0.961120 0.961120 0.851886 O\n",
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{
"id": "jvasp-111682",
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"updated_at": "2022-09-04T14:38:50.732639Z",
"structure_string": "La6 Sb8 Au6\n1.0\n8.348842 -0.000000 -2.951761\n-4.174420 7.230309 -2.951761\n-0.000000 -0.000000 8.855284\nLa Sb Au\n6 8 6\ndirect\n0.875000 0.250000 0.125000 La\n0.625000 0.750000 0.375000 La\n0.250000 0.125000 0.875000 La\n0.750000 0.375000 0.625000 La\n0.125000 0.875000 0.250000 La\n0.375000 0.625000 0.750000 La\n0.326554 0.326554 0.326554 Sb\n0.000000 0.173446 0.500000 Sb\n0.173446 0.500000 0.000000 Sb\n0.500000 0.000000 0.173446 Sb\n0.826554 0.826554 0.826554 Sb\n0.000000 0.673446 0.500000 Sb\n0.500000 0.000000 0.673445 Sb\n0.673446 0.500000 0.000000 Sb\n0.375000 0.250000 0.625000 Au\n0.125000 0.750000 0.875000 Au\n0.250000 0.625000 0.375000 Au\n0.750000 0.875000 0.125000 Au\n0.625000 0.375000 0.250000 Au\n0.875000 0.125000 0.750000 Au\n",
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{
"id": "jvasp-119489",
"created_at": "2022-09-04T14:38:51.407319Z",
"updated_at": "2022-09-04T14:38:51.407343Z",
"structure_string": "Na2 Ho2 Ti4 O12\n1.0\n5.291313 -0.000000 0.000000\n0.000000 5.514007 0.000000\n-0.000000 -0.000000 7.586207\nNa Ho Ti O\n2 2 4 12\ndirect\n0.494856 0.714372 0.500000 Na\n0.994855 0.285629 -0.000000 Na\n0.016600 0.177178 0.500000 Ho\n0.516600 0.822823 -0.000000 Ho\n0.511909 0.265309 0.752456 Ti\n0.011909 0.734692 0.252456 Ti\n0.511909 0.265309 0.247544 Ti\n0.011909 0.734692 0.747544 Ti\n0.602601 0.277365 0.500000 O\n0.919421 0.774161 0.500000 O\n0.282826 0.960434 0.708638 O\n0.188525 0.442430 0.303397 O\n0.688525 0.557571 0.196604 O\n0.282826 0.960434 0.291363 O\n0.688525 0.557571 0.803397 O\n0.782826 0.039567 0.208638 O\n0.102601 0.722635 -0.000000 O\n0.188525 0.442430 0.696604 O\n0.782826 0.039567 0.791363 O\n0.419421 0.225839 -0.000000 O\n",
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{
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"created_at": "2022-09-04T14:38:50.880621Z",
"updated_at": "2022-09-04T14:38:50.880645Z",
"structure_string": "Nb8 B8 Os4\n1.0\n5.941985 0.000000 0.000000\n0.000000 5.941985 0.000000\n0.000000 0.000000 6.912102\nNb B Os\n8 8 4\ndirect\n0.664514 0.812938 0.500000 Nb\n0.335485 0.187061 0.500000 Nb\n0.835485 0.312939 -0.000000 Nb\n0.164515 0.687060 -0.000000 Nb\n0.812938 0.335485 0.500000 Nb\n0.187061 0.664514 0.500000 Nb\n0.312939 0.164515 -0.000000 Nb\n0.687060 0.835485 -0.000000 Nb\n0.612797 0.112798 0.750000 B\n0.387202 0.887201 0.750000 B\n0.112798 0.387202 0.250000 B\n0.887201 0.612797 0.250000 B\n0.612797 0.112798 0.250000 B\n0.112798 0.387202 0.750000 B\n0.387202 0.887201 0.250000 B\n0.887201 0.612797 0.750000 B\n0.500000 0.500000 0.779289 Os\n0.500000 0.500000 0.220711 Os\n0.000000 0.000000 0.720710 Os\n0.000000 0.000000 0.279289 Os\n",
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{
"id": "jvasp-122050",
"created_at": "2022-09-04T14:38:55.038653Z",
"updated_at": "2022-09-04T14:38:55.038680Z",
"structure_string": "Tm8 Se12\n1.0\n12.497957 0.004759 4.611429\n10.761432 6.349337 2.345751\n0.003068 -0.011210 6.957180\nTm Se\n8 12\ndirect\n0.333772 0.333773 0.166227 Tm\n0.166227 0.166228 0.333773 Tm\n0.916227 0.916228 0.083773 Tm\n0.083773 0.083773 0.916227 Tm\n0.997788 0.997790 0.502211 Tm\n0.502211 0.502211 0.997789 Tm\n0.252211 0.252211 0.747789 Tm\n0.747789 0.747789 0.252211 Tm\n0.411553 0.924806 0.585835 Se\n0.585835 0.077807 0.411554 Se\n0.172193 0.664166 0.325195 Se\n0.325194 0.838447 0.172194 Se\n0.838446 0.325195 0.664166 Se\n0.495856 0.004144 0.004144 Se\n0.754144 0.245856 0.245856 Se\n0.245855 0.754145 0.754144 Se\n0.924805 0.411554 0.077807 Se\n0.004144 0.495856 0.495856 Se\n0.664165 0.172194 0.838446 Se\n0.077806 0.585835 0.924805 Se\n",
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{
"id": "jvasp-120740",
"created_at": "2022-09-04T14:38:54.210344Z",
"updated_at": "2022-09-04T14:38:54.210372Z",
"structure_string": "Li2 V4 F14\n1.0\n7.168145 -0.202836 1.994732\n3.693368 6.146745 1.994732\n0.042229 0.023109 5.162968\nLi V F\n2 4 14\ndirect\n0.507716 0.492285 0.250000 Li\n0.492285 0.507716 0.750000 Li\n0.660103 0.011765 0.732164 V\n0.011765 0.660103 0.232164 V\n0.339898 0.988235 0.267835 V\n0.988236 0.339898 0.767835 V\n0.148857 0.078032 0.013512 F\n0.078032 0.148857 0.513512 F\n0.578345 0.805570 0.005185 F\n0.805570 0.578344 0.505185 F\n-0.000000 0.500000 -0.000000 F\n0.500001 -0.000000 0.500000 F\n0.851144 0.921968 0.986487 F\n0.421656 0.194430 -0.005186 F\n0.364255 0.720516 0.464531 F\n0.921968 0.851144 0.486487 F\n0.279485 0.635746 0.035468 F\n0.635746 0.279485 0.535468 F\n0.194430 0.421656 0.494814 F\n0.720516 0.364254 0.964531 F\n",
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{
"id": "jvasp-118982",
"created_at": "2022-09-04T14:38:50.803895Z",
"updated_at": "2022-09-04T14:38:50.803921Z",
"structure_string": "Li6 Mn4 O10\n1.0\n2.760708 0.080182 -0.651827\n-0.659143 9.428624 -1.660045\n0.053313 -0.028119 6.393454\nLi Mn O\n6 4 10\ndirect\n0.900005 0.699999 0.799992 Li\n0.400009 0.200003 0.800004 Li\n0.089538 0.294756 0.179077 Li\n0.710495 0.105244 0.420929 Li\n0.495402 0.488728 0.991270 Li\n0.304637 0.911278 0.608732 Li\n0.996630 0.005450 0.993577 Mn\n0.601732 0.799374 0.203496 Mn\n0.803347 0.394547 0.606420 Mn\n0.198248 0.600621 0.396496 Mn\n0.143030 0.937213 0.286680 O\n0.547923 0.133556 0.096591 O\n0.252072 0.266441 0.503413 O\n0.338726 0.542095 0.677788 O\n0.461263 0.857904 0.922204 O\n0.939354 0.356239 0.878617 O\n0.860651 0.043765 0.721386 O\n0.743332 0.739966 0.487293 O\n0.056655 0.660032 0.112699 O\n0.656956 0.462783 0.313318 O\n",
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"spacegroup": 12
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{
"id": "jvasp-119430",
"created_at": "2022-09-04T14:38:51.411208Z",
"updated_at": "2022-09-04T14:38:51.411227Z",
"structure_string": "Ta8 B8 Os4\n1.0\n5.911618 0.000000 0.000000\n0.000000 5.911618 0.000000\n-0.000000 -0.000000 6.910702\nTa B Os\n8 8 4\ndirect\n0.664237 0.813357 0.500000 Ta\n0.335764 0.186644 0.500000 Ta\n0.835764 0.313356 -0.000000 Ta\n0.164237 0.686644 -0.000000 Ta\n0.813357 0.335764 0.500000 Ta\n0.186644 0.664237 0.500000 Ta\n0.313356 0.164237 -0.000000 Ta\n0.686644 0.835764 -0.000000 Ta\n0.613420 0.113420 0.750000 B\n0.386580 0.886580 0.750000 B\n0.113420 0.386580 0.250000 B\n0.886580 0.613420 0.250000 B\n0.613420 0.113420 0.250000 B\n0.113420 0.386580 0.750000 B\n0.386580 0.886580 0.250000 B\n0.886580 0.613420 0.750000 B\n0.500000 0.500000 0.778223 Os\n0.500000 0.500000 0.221776 Os\n0.000000 0.000000 0.721776 Os\n0.000000 0.000000 0.278223 Os\n",
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{
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"created_at": "2022-09-04T14:38:50.667867Z",
"updated_at": "2022-09-04T14:38:50.667895Z",
"structure_string": "Tb1 Mn4 Cu3 O12\n1.0\n5.923928 -0.000000 -2.094425\n-2.961964 5.130272 -2.094425\n-0.000000 -0.000000 6.283275\nTb Mn Cu O\n1 4 3 12\ndirect\n0.000000 0.000000 0.000000 Tb\n0.500000 0.500000 0.500000 Mn\n0.500000 0.000000 0.000000 Mn\n0.000000 0.500000 0.000000 Mn\n0.000000 0.000000 0.500000 Mn\n0.500000 0.500000 0.000001 Cu\n0.500000 0.000000 0.500000 Cu\n0.000000 0.500000 0.500000 Cu\n0.475476 0.177631 0.297845 O\n0.524525 0.822369 0.702155 O\n0.297845 0.120214 0.822369 O\n0.702156 0.879785 0.177632 O\n0.297845 0.475476 0.177631 O\n0.177631 0.297845 0.475476 O\n0.822370 0.297845 0.120215 O\n0.177631 0.702155 0.879786 O\n0.120215 0.822369 0.297846 O\n0.822370 0.702155 0.524525 O\n0.702155 0.524524 0.822370 O\n0.879786 0.177631 0.702155 O\n",
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"created_at": "2022-09-04T14:38:51.432909Z",
"updated_at": "2022-09-04T14:38:51.432929Z",
"structure_string": "Sr3 Ca1 Sn4 O12\n1.0\n8.111483 -0.000000 0.000000\n0.000000 5.712405 -0.001220\n-0.000000 -0.006178 5.782593\nSr Ca Sn O\n3 1 4 12\ndirect\n-0.000000 0.005787 0.963966 Sr\n0.500000 0.508825 0.533714 Sr\n0.500000 0.989966 0.040470 Sr\n-0.000000 0.489312 0.451159 Ca\n0.248084 0.500330 0.997995 Sn\n0.752556 0.999307 0.500528 Sn\n0.751916 0.500330 0.997995 Sn\n0.247444 0.999307 0.500528 Sn\n-0.000000 0.900214 0.518427 O\n-0.000000 0.577279 0.041157 O\n0.197835 0.298233 0.702900 O\n0.792568 0.212094 0.213400 O\n0.707994 0.710707 0.287408 O\n0.802165 0.298233 0.702900 O\n0.292006 0.710707 0.287408 O\n0.711384 0.794694 0.792462 O\n0.500000 0.421411 0.975065 O\n0.207432 0.212094 0.213400 O\n0.288616 0.794694 0.792462 O\n0.500000 0.076481 0.486651 O\n",
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"updated_at": "2022-09-04T14:38:51.929107Z",
"structure_string": "Sr6 W2 O12\n1.0\n6.868896 -0.014724 -0.207297\n-0.213204 6.865603 -0.207297\n-0.014304 -0.014724 6.872009\nSr W O\n6 2 12\ndirect\n0.064705 0.253756 0.563629 Sr\n0.436372 0.935295 0.746244 Sr\n0.746245 0.436372 0.935295 Sr\n0.253756 0.563629 0.064705 Sr\n0.563629 0.064705 0.253756 Sr\n0.935296 0.746245 0.436371 Sr\n0.500001 0.500000 0.500000 W\n0.000000 0.000000 0.000000 W\n0.546657 0.426270 0.228943 O\n0.270698 0.941724 0.068376 O\n0.771058 0.453344 0.573730 O\n0.573732 0.771057 0.453343 O\n0.426270 0.228944 0.546656 O\n0.058277 0.931623 0.729302 O\n0.729303 0.058277 0.931623 O\n0.453345 0.573731 0.771056 O\n0.941724 0.068378 0.270697 O\n0.068378 0.270698 0.941724 O\n0.228944 0.546657 0.426269 O\n0.931624 0.729303 0.058276 O\n",
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"formula_reduced": "Sr3WO6",
"formula_anonymous": "AB3C6",
"energy_above_hull": 2.180397993,
"spacegroup": 148
}
]
}