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{
"id": "jvasp-87920",
"created_at": "2022-09-04T14:36:08.157327Z",
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"structure_string": "K6 In2 P4\n1.0\n6.301149 0.000000 -2.620690\n-1.355373 6.677761 -3.258838\n0.003793 0.069878 8.894662\nK In P\n6 2 4\ndirect\n0.817333 0.024917 0.634667 K\n0.750000 0.500000 -0.000000 K\n0.317334 0.609750 0.634667 K\n0.682666 0.390250 0.365333 K\n0.250000 0.500000 -0.000000 K\n0.182667 0.975083 0.365333 K\n0.250000 -0.000000 0.000000 In\n0.750000 -0.000000 0.000000 In\n0.400351 0.093229 0.800701 P\n0.599649 0.906771 0.199298 P\n0.099649 0.292527 0.199298 P\n0.900351 0.707473 0.800701 P\n",
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{
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"structure_string": "Li4 V3 Si1 O10\n1.0\n5.077964 0.018410 0.009669\n0.008896 6.014730 0.011295\n-2.518573 -0.059584 7.711640\nLi V Si O\n4 3 1 10\ndirect\n0.020759 0.345540 0.889209 Li\n0.628755 0.356391 0.125609 Li\n0.136546 0.659790 0.113270 Li\n0.523249 0.654031 0.899509 Li\n0.438247 0.158711 0.721714 V\n0.207257 0.158731 0.283818 V\n0.931039 0.834163 0.705736 V\n0.708867 0.845605 0.276542 Si\n0.767313 0.765846 0.479281 O\n0.887212 0.652563 0.858213 O\n0.528894 0.665446 0.140729 O\n0.025440 0.347845 0.133416 O\n0.806235 0.108635 0.749865 O\n0.256680 0.239996 0.502445 O\n0.549287 0.093781 0.252190 O\n0.298255 0.882012 0.749367 O\n0.397947 0.341486 0.876663 O\n0.012023 0.889434 0.242420 O\n",
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{
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"structure_string": "Si8 O16\n1.0\n6.941792 0.000000 -2.454295\n-3.470897 6.011770 -2.454295\n0.000000 0.000000 7.362884\nSi O\n8 16\ndirect\n0.781630 0.500000 0.000001 Si\n0.281631 0.281631 0.281631 Si\n0.218369 0.500000 0.000000 Si\n0.718368 0.718369 0.718369 Si\n-0.000000 0.781631 0.500000 Si\n0.500000 -0.000000 0.218369 Si\n-0.000000 0.218369 0.500000 Si\n0.500000 -0.000000 0.781631 Si\n-0.000000 -0.000000 0.500000 O\n0.067540 0.250000 0.317540 O\n0.500000 0.500000 0.500000 O\n0.682459 0.932460 0.750000 O\n0.750000 0.182460 0.432460 O\n0.250000 0.317540 0.067541 O\n0.182459 0.432460 0.750000 O\n0.432459 0.750000 0.182460 O\n-0.000000 0.500000 0.000000 O\n0.317540 0.067540 0.250000 O\n0.500000 -0.000000 0.000000 O\n0.250000 0.817540 0.567541 O\n0.932459 0.750000 0.682460 O\n0.749999 0.682460 0.932460 O\n0.567540 0.250000 0.817540 O\n0.817540 0.567540 0.250001 O\n",
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"formula_full": "Si8 O16",
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{
"id": "jvasp-113532",
"created_at": "2022-09-04T14:38:47.865818Z",
"updated_at": "2022-09-04T14:38:47.865849Z",
"structure_string": "C1 S1 O2\n1.0\n2.683319 0.000000 0.000000\n0.000000 2.683319 0.000000\n0.000000 0.000000 6.753851\nC S O\n1 1 2\ndirect\n0.500000 0.500000 0.431801 C\n0.000000 0.000000 0.094004 S\n0.000000 0.000000 0.878272 O\n0.500000 0.500000 0.605923 O\n",
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"elements": [
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{
"id": "jvasp-110560",
"created_at": "2022-09-04T14:38:39.109092Z",
"updated_at": "2022-09-04T14:38:39.109112Z",
"structure_string": "Na3 Br1 Cl2\n1.0\n4.045913 -0.000000 0.000000\n-2.022956 3.503863 -0.000000\n0.000000 0.000000 9.908687\nNa Br Cl\n3 1 2\ndirect\n0.000000 0.000000 0.500000 Na\n0.333332 0.666666 0.178262 Na\n0.666666 0.333333 0.821739 Na\n0.000000 0.000000 0.000000 Br\n0.333332 0.666666 0.660822 Cl\n0.666666 0.333333 0.339179 Cl\n",
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{
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"created_at": "2022-09-04T14:38:52.464187Z",
"updated_at": "2022-09-04T14:38:52.464214Z",
"structure_string": "Li2 Mn2 C2 S2 O14\n1.0\n6.748492 0.000000 0.000000\n0.000000 4.968647 0.371817\n0.000000 -0.048168 8.305137\nLi Mn C S O\n2 2 2 2 14\ndirect\n0.477584 0.798132 0.810994 Li\n0.977584 0.201868 0.189006 Li\n0.250904 0.229997 0.659383 Mn\n0.750904 0.770003 0.340617 Mn\n0.249906 0.299867 0.939010 C\n0.749906 0.700133 0.060990 C\n0.756664 0.253775 0.589555 S\n0.256664 0.746225 0.410445 S\n0.777144 0.508719 0.179331 O\n0.435128 0.794203 0.314593 O\n0.081107 0.841337 0.319937 O\n0.770142 0.122094 0.433124 O\n0.233861 0.449251 0.456457 O\n0.733861 0.550749 0.543544 O\n0.277144 0.491281 0.820669 O\n0.581107 0.158663 0.680063 O\n0.935128 0.205797 0.685408 O\n0.760736 0.939392 0.122523 O\n0.260736 0.060608 0.877478 O\n0.708976 0.660924 0.920386 O\n0.270142 0.877906 0.566877 O\n0.208976 0.339076 0.079615 O\n",
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"density_atomic": 0.07896643842539888,
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"formula_full": "Li2 Mn2 C2 S2 O14",
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"spacegroup": 4
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{
"id": "jvasp-100080",
"created_at": "2022-09-04T14:36:48.646322Z",
"updated_at": "2022-09-04T14:36:48.646348Z",
"structure_string": "Li3 Al1 F6\n1.0\n4.562361 -0.000000 2.634080\n1.520787 4.301435 2.634080\n-0.000000 0.000000 5.268160\nLi Al F\n3 1 6\ndirect\n0.250000 0.250000 0.250000 Li\n0.750001 0.749999 0.750000 Li\n0.500000 0.499999 0.500000 Li\n0.000000 0.000000 0.000000 Al\n0.241998 0.241997 0.758002 F\n0.241998 0.758002 0.758002 F\n0.758003 0.758002 0.241998 F\n0.241998 0.758002 0.241998 F\n0.758002 0.241997 0.758002 F\n0.758002 0.241997 0.241998 F\n",
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"density_atomic": 0.0967248428475077,
"volume": 103.38605580125447,
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"formula_full": "Li3 Al1 F6",
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{
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"created_at": "2022-09-04T14:36:33.317535Z",
"updated_at": "2022-09-04T14:36:33.317548Z",
"structure_string": "Li1 Ca2 Sn1\n1.0\n-16.602349 1.971320 -6.366218\n-9.995883 0.159045 -1.021677\n-8.699809 3.824893 -3.266542\nLi Ca Sn\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.488556 0.174259 0.174259 Ca\n0.511446 0.825740 0.825738 Ca\n0.500000 -0.000000 -0.000000 Sn\n",
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{
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"structure_string": "Mg4 B48 C2\n1.0\n5.085742 0.000000 0.000000\n-0.000000 8.967342 0.000000\n0.000000 0.000000 8.967342\nMg B C\n4 48 2\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.750000 0.000000 0.500000 Mg\n0.250000 0.500000 0.000000 Mg\n0.412788 0.407359 0.730867 B\n0.914839 0.248375 0.735490 B\n0.375407 0.883945 0.128257 B\n0.901676 0.579525 0.825137 B\n0.901676 0.420475 0.174863 B\n0.417158 0.694055 0.098506 B\n0.584688 0.577587 0.740946 B\n0.624592 0.871742 0.883945 B\n0.417158 0.305944 0.901493 B\n0.412788 0.592640 0.269132 B\n0.401676 0.079525 0.674862 B\n0.401676 0.920475 0.325137 B\n0.415312 0.259054 0.577587 B\n0.587212 0.269132 0.407359 B\n0.582842 0.098506 0.305944 B\n0.917158 0.194056 0.401493 B\n0.585161 0.764510 0.251625 B\n0.087212 0.230868 0.907359 B\n0.098324 0.174863 0.579525 B\n0.624592 0.128257 0.116054 B\n0.098324 0.825137 0.420475 B\n0.598323 0.674862 0.920475 B\n0.124592 0.371743 0.616054 B\n0.912788 0.092641 0.230868 B\n0.414839 0.748375 0.764510 B\n0.915312 0.240946 0.077587 B\n0.875407 0.616054 0.628257 B\n0.914839 0.751625 0.264510 B\n0.414839 0.251625 0.235490 B\n0.082842 0.401493 0.805944 B\n0.085161 0.264510 0.248375 B\n0.587212 0.730867 0.592640 B\n0.084688 0.922413 0.240946 B\n0.598323 0.325137 0.079525 B\n0.415312 0.740946 0.422413 B\n0.915312 0.759054 0.922413 B\n0.912788 0.907359 0.769132 B\n0.875407 0.383945 0.371743 B\n0.084688 0.077587 0.759054 B\n0.584688 0.422413 0.259054 B\n0.582842 0.901493 0.694055 B\n0.585161 0.235490 0.748375 B\n0.375407 0.116054 0.871742 B\n0.917158 0.805944 0.598506 B\n0.124592 0.628257 0.383945 B\n0.087212 0.769132 0.092641 B\n0.085161 0.735490 0.751625 B\n0.082842 0.598506 0.194056 B\n0.500000 0.000000 0.000000 C\n0.000000 0.500000 0.500000 C\n",
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{
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"structure_string": "Li2 O2\n1.0\n3.737444 -0.000000 -0.000000\n0.000000 3.737444 0.000000\n0.000000 0.000000 2.098281\nLi O\n2 2\ndirect\n0.500000 0.500000 0.000000 Li\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.500001 O\n0.500000 0.000000 0.499999 O\n",
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{
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"structure_string": "K2 Mn1 Cl6\n1.0\n5.876456 0.000000 3.392774\n1.958818 5.540377 3.392774\n-0.000000 -0.000000 6.785547\nK Mn Cl\n2 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.750001 0.750000 0.749999 K\n0.000000 0.000000 0.000000 Mn\n0.238015 0.761986 0.761985 Cl\n0.238015 0.761986 0.238014 Cl\n0.761986 0.238015 0.761985 Cl\n0.761986 0.238015 0.238014 Cl\n0.761986 0.761986 0.238013 Cl\n0.238015 0.238015 0.761985 Cl\n",
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{
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"created_at": "2022-09-04T14:38:30.073542Z",
"updated_at": "2022-09-04T14:38:30.073569Z",
"structure_string": "Si4 O8\n1.0\n5.343226 0.029706 -0.598552\n-1.065465 5.236004 -0.598552\n-0.016440 -0.020237 5.485653\nSi O\n4 8\ndirect\n0.954991 0.051856 0.501790 Si\n0.372738 0.527856 0.084583 Si\n0.527857 0.372737 0.584583 Si\n0.051856 0.954989 0.001790 Si\n0.566894 0.484255 0.879934 O\n0.874063 0.898483 0.220142 O\n0.273731 0.787135 0.029130 O\n0.151780 0.265943 0.034892 O\n0.898485 0.874061 0.720142 O\n0.787136 0.273730 0.529130 O\n0.484257 0.566893 0.379934 O\n0.265944 0.151779 0.534892 O\n",
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}
]
}