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{
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{
"id": "jvasp-93169",
"created_at": "2022-09-04T14:36:03.898880Z",
"updated_at": "2022-09-04T14:36:03.898904Z",
"structure_string": "Sr1 Li1 Mg6\n1.0\n7.104236 -0.344156 0.000000\n-3.850166 5.980370 0.000000\n0.000000 0.000000 5.119346\nSr Li Mg\n1 1 6\ndirect\n0.305212 0.194788 0.750001 Sr\n0.136025 0.363974 0.250000 Li\n0.184117 0.818170 0.250000 Mg\n0.681830 0.315882 0.250000 Mg\n0.693506 0.806493 0.250000 Mg\n0.328306 0.688011 0.750001 Mg\n0.811989 0.171693 0.750001 Mg\n0.859012 0.640987 0.750001 Mg\n",
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{
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"structure_string": "Ca4 Al4 B4 O16\n1.0\n5.799868 0.000000 0.000000\n0.000000 7.286398 -3.956868\n0.000000 -0.001622 8.684237\nCa Al B O\n4 4 4 16\ndirect\n0.011328 0.949924 0.185383 Ca\n0.511329 0.764542 0.814618 Ca\n0.011328 0.050076 0.814618 Ca\n0.511329 0.235459 0.185383 Ca\n0.739408 0.278817 0.587875 Al\n0.739408 0.721184 0.412125 Al\n0.239408 0.690942 0.412125 Al\n0.239408 0.309059 0.587875 Al\n0.474912 0.846754 0.218951 B\n0.974912 0.372197 0.218951 B\n0.974912 0.627803 0.781050 B\n0.474912 0.153247 0.781050 B\n0.779505 0.517483 0.736189 O\n0.942914 0.812250 0.884551 O\n0.493166 0.265102 0.465608 O\n0.442913 0.072302 0.884551 O\n0.993166 0.200507 0.465608 O\n0.279505 0.218706 0.736189 O\n0.442913 0.927699 0.115449 O\n0.993166 0.799494 0.534392 O\n0.692469 0.829326 0.277375 O\n0.692469 0.170674 0.722626 O\n0.192468 0.551952 0.722626 O\n0.192468 0.448049 0.277375 O\n0.279505 0.781294 0.263811 O\n0.779505 0.482517 0.263811 O\n0.493166 0.734899 0.534392 O\n0.942914 0.187751 0.115449 O\n",
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{
"id": "jvasp-50431",
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"updated_at": "2022-09-04T14:37:17.161627Z",
"structure_string": "Li4 Ti4 O10\n1.0\n3.062233 7.860774 0.000000\n-3.062233 7.860774 0.000000\n0.000000 0.000000 5.217275\nLi Ti O\n4 4 10\ndirect\n0.405724 0.703136 0.642855 Li\n0.296864 0.594276 0.142854 Li\n0.594276 0.296864 0.642855 Li\n0.703136 0.405724 0.142854 Li\n0.016410 0.700450 0.639667 Ti\n0.299549 0.983589 0.139667 Ti\n0.700450 0.016410 0.139667 Ti\n0.983589 0.299549 0.639667 Ti\n0.588692 0.278817 0.021753 O\n0.993726 0.760150 0.989484 O\n0.239850 0.006274 0.489483 O\n0.760150 0.993726 0.489483 O\n0.000000 0.500000 0.567260 O\n0.278817 0.588692 0.521754 O\n0.411308 0.721182 0.021753 O\n0.721182 0.411308 0.521754 O\n0.006274 0.239850 0.989484 O\n0.500000 0.000000 0.067259 O\n",
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"volume": 251.17549517225203,
"volume_molar": 8.403412152166679,
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{
"id": "jvasp-24911",
"created_at": "2022-09-04T14:37:43.825430Z",
"updated_at": "2022-09-04T14:37:43.825456Z",
"structure_string": "Ca4 Ga4 B4 O16\n1.0\n5.896721 0.000000 0.000000\n0.000000 7.354268 -3.942112\n0.000000 -0.004292 8.822984\nCa Ga B O\n4 4 4 16\ndirect\n0.899702 0.448096 0.180885 Ca\n0.399703 0.732789 0.180885 Ca\n0.899702 0.551904 0.819115 Ca\n0.399703 0.267212 0.819115 Ca\n0.627509 0.224748 0.411633 Ga\n0.127509 0.813116 0.588367 Ga\n0.127509 0.186885 0.411633 Ga\n0.627509 0.775252 0.588367 Ga\n0.358463 0.651821 0.784710 B\n0.858463 0.132889 0.784710 B\n0.358463 0.348180 0.215290 B\n0.858463 0.867111 0.215290 B\n0.166564 0.719166 0.742595 O\n0.666564 0.023429 0.742594 O\n0.882780 0.309549 0.543644 O\n0.075887 0.064156 0.729602 O\n0.666564 0.976572 0.257406 O\n0.575886 0.334553 0.270398 O\n0.382780 0.234095 0.543643 O\n0.323095 0.428798 0.113533 O\n0.075887 0.935844 0.270398 O\n0.323095 0.571203 0.886467 O\n0.823095 0.315267 0.886467 O\n0.882780 0.690451 0.456357 O\n0.823095 0.684734 0.113533 O\n0.166564 0.280834 0.257406 O\n0.382780 0.765906 0.456357 O\n0.575886 0.665448 0.729602 O\n",
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{
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"created_at": "2022-09-04T14:38:08.525594Z",
"updated_at": "2022-09-04T14:38:08.525625Z",
"structure_string": "Li4 Ge4 O10\n1.0\n5.007285 0.001625 -0.000641\n-0.001757 5.548069 -2.187817\n0.000879 0.055061 8.268193\nLi Ge O\n4 4 10\ndirect\n0.605795 0.703472 0.110488 Li\n0.105794 0.592983 0.889511 Li\n0.105786 0.403220 0.110487 Li\n0.605787 0.292733 0.889512 Li\n0.100210 0.013659 0.708482 Ge\n0.100218 0.982546 0.291511 Ge\n0.600210 0.305178 0.291518 Ge\n0.600218 0.691034 0.708488 Ge\n0.498720 0.498128 0.499998 O\n0.955177 0.746476 0.731027 O\n0.455176 0.015449 0.268972 O\n0.455178 0.980778 0.731031 O\n0.955179 0.249745 0.268968 O\n0.989463 0.723554 0.131425 O\n0.989456 0.272669 0.868565 O\n0.489455 0.404104 0.131434 O\n0.489463 0.592130 0.868574 O\n-0.001281 0.998130 0.500001 O\n",
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"spacegroup": 37
},
{
"id": "jvasp-20967",
"created_at": "2022-09-04T14:38:34.620095Z",
"updated_at": "2022-09-04T14:38:34.620110Z",
"structure_string": "Li4 Si4 O10\n1.0\n4.817435 -0.000329 0.000130\n0.000430 5.412220 -2.148644\n-0.000214 0.011504 7.919721\nLi Si O\n4 4 10\ndirect\n0.596818 0.705366 0.113925 Li\n0.096818 0.591442 0.886076 Li\n0.096818 0.402179 0.113923 Li\n0.596819 0.288257 0.886077 Li\n0.094384 0.005783 0.705029 Si\n0.094383 0.987838 0.294971 Si\n0.594384 0.300754 0.294970 Si\n0.594384 0.692868 0.705030 Si\n0.534822 0.496810 0.500001 O\n0.931268 0.763790 0.726380 O\n0.431267 0.037411 0.273620 O\n0.431267 0.956210 0.726380 O\n0.931267 0.229831 0.273620 O\n-0.003376 0.735338 0.141470 O\n-0.003376 0.258283 0.858529 O\n0.496624 0.399755 0.141471 O\n0.496625 0.593869 0.858531 O\n0.034821 0.996809 0.499999 O\n",
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],
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{
"id": "jvasp-122085",
"created_at": "2022-09-04T14:38:55.260981Z",
"updated_at": "2022-09-04T14:38:55.261011Z",
"structure_string": "Ni14 P14\n1.0\n12.442872 -0.003081 0.000000\n-11.001486 5.813121 0.000000\n0.000000 0.000000 4.936898\nNi P\n14 14\ndirect\n0.507263 0.383533 0.424969 Ni\n0.949531 0.949532 0.896212 Ni\n0.235646 0.647380 0.878494 Ni\n0.647379 0.235646 0.878494 Ni\n0.764354 0.352620 0.378494 Ni\n0.352620 0.764354 0.378494 Ni\n0.907475 0.205216 0.912510 Ni\n0.050468 0.050468 0.396212 Ni\n0.092525 0.794784 0.412510 Ni\n0.794784 0.092525 0.412510 Ni\n0.616467 0.492736 0.924969 Ni\n0.492736 0.616467 0.924969 Ni\n0.383532 0.507264 0.424969 Ni\n0.205215 0.907475 0.912510 Ni\n0.018418 0.595841 0.721973 P\n0.595841 0.018419 0.721973 P\n0.981581 0.404159 0.221972 P\n0.404159 0.981581 0.221972 P\n0.162687 0.452545 0.569218 P\n0.452545 0.162687 0.569218 P\n0.884313 0.746325 0.596401 P\n0.547454 0.837313 0.069218 P\n0.746324 0.884313 0.596401 P\n0.115687 0.253675 0.096401 P\n0.253675 0.115687 0.096401 P\n0.687705 0.687705 0.232962 P\n0.837313 0.547455 0.069218 P\n0.312295 0.312295 0.732962 P\n",
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{
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"created_at": "2022-09-04T14:38:54.919835Z",
"updated_at": "2022-09-04T14:38:54.919851Z",
"structure_string": "Rb4 Mo2 O4 F8\n1.0\n7.654376 0.019840 0.000000\n-5.340053 5.483950 0.000000\n-0.000000 -0.000000 7.070162\nRb Mo O F\n4 2 4 8\ndirect\n0.773750 0.226250 0.498033 Rb\n0.226251 0.773750 0.998033 Rb\n0.545926 0.454074 0.005738 Rb\n0.454075 0.545926 0.505738 Rb\n0.883638 0.116362 0.982921 Mo\n0.116363 0.883638 0.482922 Mo\n0.344927 0.105050 0.329041 O\n0.655074 0.894950 0.829040 O\n0.894951 0.655073 0.329041 O\n0.105050 0.344927 0.829040 O\n0.981691 0.018309 0.523740 F\n0.745870 0.254131 0.026989 F\n0.254131 0.745869 0.526989 F\n0.105876 0.344553 0.205249 F\n0.894125 0.655447 0.705249 F\n0.344553 0.105876 0.705249 F\n0.655448 0.894124 0.205249 F\n0.018309 0.981691 0.023740 F\n",
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{
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"updated_at": "2022-09-04T14:38:54.729012Z",
"structure_string": "La6 Al2 O12\n1.0\n7.527890 -0.004024 0.000000\n-1.683141 7.337314 0.000000\n-0.000000 -0.000000 5.650887\nLa Al O\n6 2 12\ndirect\n0.085197 0.300370 0.468124 La\n0.300370 0.085197 0.968125 La\n0.606144 0.393856 0.432541 La\n0.393856 0.606144 0.932541 La\n0.699630 0.914803 0.468124 La\n0.914803 0.699630 0.968125 La\n0.807187 0.192813 0.007325 Al\n0.192813 0.807187 0.507325 Al\n0.405865 0.889655 0.658900 O\n0.889656 0.405866 0.158900 O\n0.049957 0.950042 0.618507 O\n0.213147 0.786853 0.194378 O\n0.786853 0.213147 0.694378 O\n0.352176 0.329704 0.703576 O\n0.594135 0.110345 0.158900 O\n0.110344 0.594134 0.658900 O\n0.647825 0.670296 0.203576 O\n0.329704 0.352175 0.203576 O\n0.950043 0.049958 0.118507 O\n0.670296 0.647824 0.703576 O\n",
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],
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"spacegroup": 36
},
{
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"created_at": "2022-09-04T14:35:42.145187Z",
"updated_at": "2022-09-04T14:35:42.145220Z",
"structure_string": "H8 O4\n1.0\n2.179855 3.807327 0.000000\n-2.179855 3.807327 0.000000\n0.000000 0.000000 7.085356\nH O\n8 4\ndirect\n0.340021 0.340021 0.701212 H\n0.659980 0.659980 0.201212 H\n0.470574 0.470574 0.518436 H\n0.529426 0.529426 0.018435 H\n0.927501 0.555107 0.481789 H\n0.555107 0.927501 0.481789 H\n0.072500 0.444894 0.981789 H\n0.444894 0.072500 0.981789 H\n0.343769 0.343769 0.559045 O\n0.656232 0.656232 0.059045 O\n0.675617 0.675617 0.435731 O\n0.324384 0.324384 0.935731 O\n",
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"formula_full": "H8 O4",
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},
{
"id": "jvasp-48694",
"created_at": "2022-09-04T14:35:42.307515Z",
"updated_at": "2022-09-04T14:35:42.307553Z",
"structure_string": "Li4 Fe4 O2 F8\n1.0\n2.860657 0.000000 0.000000\n-1.430329 4.863668 0.000000\n0.000000 0.000000 12.762734\nLi Fe O F\n4 4 2 8\ndirect\n0.225100 0.450200 0.888174 Li\n0.774901 0.549801 0.388175 Li\n0.488811 0.977620 0.992314 Li\n0.511190 0.022380 0.492314 Li\n0.037829 0.075658 0.257992 Fe\n0.249404 0.498807 0.616536 Fe\n0.962172 0.924343 0.757992 Fe\n0.750597 0.501193 0.116536 Fe\n0.675929 0.351856 0.254233 O\n0.324072 0.648145 0.754233 O\n0.127177 0.254353 0.028431 F\n0.151318 0.302638 0.465949 F\n0.421562 0.843124 0.143613 F\n0.420727 0.841453 0.352755 F\n0.578439 0.156877 0.643613 F\n0.872824 0.745647 0.528431 F\n0.579274 0.158548 0.852755 F\n0.848683 0.697363 0.965949 F\n",
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"formula_full": "Li4 Fe4 O2 F8",
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{
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"updated_at": "2022-09-04T14:35:42.645583Z",
"structure_string": "K4 Os2 N2 Cl10\n1.0\n8.206559 0.000000 0.000000\n0.000000 7.440443 -2.193160\n0.000000 0.582262 7.735058\nK Os N Cl\n4 2 2 10\ndirect\n0.874628 0.562501 0.437499 K\n0.561488 0.095605 0.904395 K\n0.374628 0.437498 0.562501 K\n0.061488 0.904394 0.095605 K\n0.521472 0.765196 0.234804 Os\n0.021472 0.234804 0.765196 Os\n0.214559 0.192032 0.807968 N\n0.714559 0.807967 0.192032 N\n0.914958 0.945369 0.721614 Cl\n0.548952 0.455255 0.204838 Cl\n0.214034 0.679531 0.320469 Cl\n0.414958 0.721614 0.945369 Cl\n0.714034 0.320469 0.679531 Cl\n0.548952 0.795162 0.544744 Cl\n0.414958 0.054631 0.278386 Cl\n0.048952 0.204837 0.455256 Cl\n0.048952 0.544744 0.795163 Cl\n0.914958 0.278386 0.054631 Cl\n",
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}
]
}