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{
"id": "jvasp-37300",
"created_at": "2022-09-04T14:35:48.408247Z",
"updated_at": "2022-09-04T14:35:48.408272Z",
"structure_string": "Sr1 Ca1 O3\n1.0\n4.346773 -0.000000 -0.000000\n0.000000 4.346773 -0.000000\n0.000000 0.000000 4.346773\nSr Ca O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500000 0.500000 0.500000 Ca\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
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{
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"structure_string": "K1 Be2 Te1\n1.0\n3.329408 0.000000 -0.000000\n0.000000 3.329408 -0.000000\n0.000000 -0.000000 7.789435\nK Be Te\n1 2 1\ndirect\n0.000000 0.000000 0.480589 K\n0.000000 0.000000 0.103047 Be\n0.500000 0.500000 0.114336 Be\n0.500000 0.500000 0.802027 Te\n",
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{
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"structure_string": "Sr4 Al8 Si4 N8 O12\n1.0\n4.963386 0.000000 0.000000\n0.000000 8.126617 0.000000\n0.000000 0.000000 11.388207\nSr Al Si N O\n4 8 4 8 12\ndirect\n0.516029 0.043478 0.164768 Sr\n0.016029 0.456522 0.835232 Sr\n0.983972 0.956522 0.664768 Sr\n0.483972 0.543478 0.335232 Sr\n0.016113 0.028611 0.957462 Al\n0.516114 0.471389 0.042538 Al\n0.005676 0.337253 0.162409 Al\n0.483887 0.971390 0.457462 Al\n0.983888 0.528611 0.542538 Al\n0.994325 0.837253 0.337591 Al\n0.494325 0.662747 0.662409 Al\n0.505676 0.162747 0.837591 Al\n0.998389 0.702326 0.074558 Si\n0.501612 0.297675 0.574558 Si\n0.498388 0.797674 0.925442 Si\n0.001612 0.202326 0.425442 Si\n0.171260 0.520080 0.096325 N\n0.671261 0.979920 0.903675 N\n0.787063 0.344404 0.491051 N\n0.828741 0.020080 0.403675 N\n0.212938 0.844404 0.008949 N\n0.328740 0.479920 0.596325 N\n0.287063 0.155596 0.508950 N\n0.712938 0.655596 0.991051 N\n0.452096 0.846639 0.583719 O\n0.652755 0.368593 0.168386 O\n0.152755 0.131407 0.831614 O\n0.347246 0.868593 0.331614 O\n0.131906 0.292210 0.305103 O\n0.868095 0.792210 0.194897 O\n0.047904 0.153361 0.083719 O\n0.547904 0.346639 0.916281 O\n0.368095 0.707791 0.805103 O\n0.952097 0.653362 0.416282 O\n0.847246 0.631407 0.668386 O\n0.631906 0.207790 0.694897 O\n",
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"formula_full": "Sr4 Al8 Si4 N8 O12",
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"spacegroup": 19
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{
"id": "jvasp-42992",
"created_at": "2022-09-04T14:38:08.167892Z",
"updated_at": "2022-09-04T14:38:08.167909Z",
"structure_string": "Li2 Fe1 O2\n1.0\n5.079967 -0.027951 -0.022635\n2.917626 4.158643 0.022635\n-4.321517 -1.440515 2.248726\nLi Fe O\n2 1 2\ndirect\n0.302788 0.802785 0.500002 Li\n0.697215 0.197213 0.500000 Li\n0.000002 0.500000 0.500002 Fe\n0.354929 0.354929 -0.000000 O\n0.645072 0.645071 -0.000000 O\n",
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"formula_full": "Li2 Fe1 O2",
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{
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"created_at": "2022-09-04T14:37:28.363869Z",
"updated_at": "2022-09-04T14:37:28.363888Z",
"structure_string": "Ca2 Al4 O8\n1.0\n0.000000 5.608828 0.013589\n3.783215 0.000000 0.000000\n0.000000 -1.388366 -6.965495\nCa Al O\n2 4 8\ndirect\n0.731344 0.749999 0.428753 Ca\n0.268655 0.250000 0.571247 Ca\n0.846106 0.749999 0.870121 Al\n0.153893 0.250000 0.129878 Al\n0.344017 0.749999 0.887043 Al\n0.655982 0.250000 0.112956 Al\n0.943170 0.250000 0.307623 O\n0.857882 0.250000 0.928298 O\n0.458069 0.250000 0.304088 O\n0.643289 0.749999 0.074610 O\n0.541930 0.749999 0.695911 O\n0.142117 0.749999 0.071702 O\n0.356711 0.250000 0.925389 O\n0.056830 0.749999 0.692376 O\n",
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"density_atomic": 0.09476602888057935,
"volume": 147.73226403358404,
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{
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"created_at": "2022-09-04T14:37:50.802067Z",
"updated_at": "2022-09-04T14:37:50.802084Z",
"structure_string": "Al4 Si2 O10\n1.0\n3.554431 0.000000 0.000000\n-1.777216 4.641022 0.000000\n0.000000 -0.000000 9.181571\nAl Si O\n4 2 10\ndirect\n0.135061 0.270121 0.432554 Al\n0.864938 0.729879 0.567446 Al\n0.135061 0.270121 0.067446 Al\n0.864938 0.729879 0.932554 Al\n0.183773 0.367547 0.750000 Si\n0.816225 0.632452 0.250000 Si\n0.312687 0.625375 0.589453 O\n0.687312 0.374624 0.410547 O\n0.687312 0.374624 0.089453 O\n0.312687 0.625375 0.910547 O\n0.054916 0.109834 0.617881 O\n0.945082 0.890166 0.382119 O\n0.739613 0.479228 0.750000 O\n0.260385 0.520772 0.250000 O\n0.054916 0.109834 0.882119 O\n0.945082 0.890166 0.117881 O\n",
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"formula_full": "Al4 Si2 O10",
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"spacegroup": 63
},
{
"id": "jvasp-80486",
"created_at": "2022-09-04T14:37:19.608111Z",
"updated_at": "2022-09-04T14:37:19.608132Z",
"structure_string": "Mg3 Sb1\n1.0\n4.497494 0.000000 0.000000\n0.000000 4.497494 0.000000\n0.000000 -0.000000 4.497494\nMg Sb\n3 1\ndirect\n0.500000 0.500000 0.000000 Mg\n0.500000 0.000000 0.500000 Mg\n0.000000 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 Sb\n",
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{
"id": "jvasp-68846",
"created_at": "2022-09-04T14:35:56.270907Z",
"updated_at": "2022-09-04T14:35:56.270934Z",
"structure_string": "Na1 Y2 Be1\n1.0\n-2.190867 2.190867 5.106528\n2.190867 -2.190867 5.106528\n2.190867 2.190867 -5.106528\nNa Y Be\n1 2 1\ndirect\n0.750001 0.250000 0.500001 Na\n0.000000 0.000000 0.000000 Y\n0.250000 0.750001 0.500001 Y\n0.500000 0.500000 0.000000 Be\n",
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{
"id": "jvasp-26813",
"created_at": "2022-09-04T14:38:27.223647Z",
"updated_at": "2022-09-04T14:38:27.223675Z",
"structure_string": "Na1 Zr2 Fe1 F11\n1.0\n5.340992 0.014318 2.029022\n1.010698 5.244510 2.029022\n0.002353 0.001948 7.849986\nNa Zr Fe F\n1 2 1 11\ndirect\n0.000000 0.000000 0.000000 Na\n0.505337 0.505338 0.764981 Zr\n0.494663 0.494663 0.235019 Zr\n-0.000000 0.000000 0.500000 Fe\n0.812242 0.223265 0.689107 F\n0.776736 0.187758 0.310893 F\n0.187758 0.776736 0.310893 F\n0.223264 0.812243 0.689107 F\n0.500000 0.500000 0.500000 F\n0.328601 0.671399 -0.000000 F\n0.671399 0.328601 -0.000000 F\n0.247094 0.247095 0.348628 F\n0.752905 0.752906 0.651372 F\n0.266243 0.266244 0.891918 F\n0.733756 0.733756 0.108081 F\n",
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"created_at": "2022-09-04T14:37:02.284147Z",
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"structure_string": "K2 Sc1 Tl1 Br6\n1.0\n7.022468 -0.000000 4.054424\n2.340823 6.620846 4.054424\n-0.000000 -0.000000 8.108847\nK Sc Tl Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.749999 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 Sc\n0.500000 0.500000 0.500000 Tl\n0.769950 0.230050 0.230050 Br\n0.230050 0.230050 0.769950 Br\n0.230050 0.769950 0.769949 Br\n0.230050 0.769950 0.230050 Br\n0.769950 0.230050 0.769949 Br\n0.769949 0.769950 0.230050 Br\n",
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{
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"created_at": "2022-09-04T14:36:13.317789Z",
"updated_at": "2022-09-04T14:36:13.317824Z",
"structure_string": "Li4 Mn3 Sb1 P4 O16\n1.0\n0.000000 4.741148 0.112594\n6.192952 0.000000 0.000000\n0.000000 -0.521391 -11.058572\nLi Mn Sb P O\n4 3 1 4 16\ndirect\n0.018137 0.256619 0.987636 Li\n0.018137 0.743380 0.987636 Li\n0.463791 0.759581 0.519720 Li\n0.463791 0.240419 0.519720 Li\n0.015566 0.000000 0.724391 Mn\n0.527797 0.000000 0.191286 Mn\n0.524086 0.500000 0.788514 Mn\n0.968914 0.500000 0.289736 Sb\n0.902980 0.000000 0.426285 P\n0.599700 0.000000 0.901783 P\n0.443454 0.500000 0.069954 P\n0.051025 0.500000 0.608986 P\n0.772539 0.806439 0.348666 O\n0.727506 0.500000 0.607239 O\n0.765254 0.500000 0.059256 O\n0.720933 0.198971 0.834595 O\n0.720933 0.801028 0.834595 O\n0.748924 0.000000 0.032050 O\n0.283331 0.500000 0.941210 O\n0.194148 0.299565 0.672991 O\n0.337444 0.291527 0.133344 O\n0.276385 0.000000 0.898396 O\n0.223947 0.000000 0.438321 O\n0.194148 0.700434 0.672991 O\n0.772539 0.193561 0.348666 O\n0.158836 0.500000 0.478391 O\n0.337444 0.708473 0.133344 O\n0.768314 0.000000 0.550306 O\n",
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{
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"updated_at": "2022-09-04T14:35:55.249287Z",
"structure_string": "Mo2 H4 O8\n1.0\n7.940088 -0.036492 0.862087\n-3.010875 5.135868 -1.716958\n0.327279 0.093862 3.730382\nMo H O\n2 4 8\ndirect\n0.800882 0.918067 0.766214 Mo\n0.236160 0.126152 0.152516 Mo\n0.069673 0.657178 0.227772 H\n0.832061 0.447956 0.702855 H\n0.726432 0.422239 0.359005 H\n0.221424 0.529596 0.634686 H\n0.554152 0.741189 0.784286 O\n0.483428 0.258532 0.108302 O\n0.152308 0.080791 0.697134 O\n0.870922 0.905661 0.222030 O\n0.845036 0.233941 0.875819 O\n0.173760 0.774071 0.075968 O\n0.825286 0.548924 0.546396 O\n0.210381 0.422112 0.375488 O\n",
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}
]
}