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{
"id": "jvasp-49846",
"created_at": "2022-09-04T14:36:04.525456Z",
"updated_at": "2022-09-04T14:36:04.525478Z",
"structure_string": "Tb6 Ta2 O14\n1.0\n5.321671 3.673437 -0.000000\n-5.321671 3.673437 -0.000000\n0.000000 0.000000 7.521052\nTb Ta O\n6 2 14\ndirect\n0.062024 0.518823 0.250000 Tb\n0.481178 0.937977 0.750000 Tb\n0.000000 0.000000 0.000000 Tb\n0.000000 0.000000 0.500000 Tb\n0.518823 0.062024 0.250000 Tb\n0.937977 0.481178 0.750000 Tb\n0.500000 0.500000 0.000000 Ta\n0.500000 0.500000 0.500000 Ta\n0.436775 0.178386 0.963012 O\n0.821615 0.563226 0.463012 O\n0.436775 0.178386 0.536988 O\n0.821615 0.563226 0.036988 O\n0.419051 0.419051 0.250000 O\n0.580950 0.580950 0.750000 O\n0.563226 0.821615 0.036988 O\n0.178386 0.436775 0.963012 O\n0.563226 0.821615 0.463012 O\n0.845706 0.109781 0.750000 O\n0.109781 0.845706 0.750000 O\n0.154295 0.890220 0.250000 O\n0.178386 0.436775 0.536988 O\n0.890220 0.154295 0.250000 O\n",
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{
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"structure_string": "H4 C12 S2 O6\n1.0\n4.556222 0.048683 1.028947\n0.714764 6.569448 2.047713\n0.179943 -0.056983 9.858585\nH C S O\n4 12 2 6\ndirect\n0.925363 0.610188 0.764022 H\n0.925364 0.110186 0.264023 H\n0.514458 0.821220 0.914292 H\n0.514458 0.321219 0.414292 H\n0.935473 0.663528 0.370992 C\n0.935473 0.163530 0.870991 C\n0.090184 0.072173 0.653253 C\n0.090185 0.572172 0.153253 C\n0.741204 0.336080 0.906653 C\n0.741203 0.836080 0.406653 C\n0.350212 0.533573 0.043039 C\n0.537066 0.156971 0.435162 C\n0.537067 0.656973 0.935162 C\n0.757224 0.043772 0.354458 C\n0.757223 0.543774 0.854458 C\n0.350211 0.033573 0.543039 C\n0.447090 0.279403 0.049829 S\n0.447088 0.779403 0.549829 S\n0.951602 0.492886 0.451432 O\n0.872182 0.482002 0.183908 O\n0.872181 0.982002 0.683908 O\n0.118491 0.705351 0.229303 O\n0.118490 0.205352 0.729302 O\n0.951603 0.992887 0.951431 O\n",
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{
"id": "jvasp-102874",
"created_at": "2022-09-04T14:36:35.412692Z",
"updated_at": "2022-09-04T14:36:35.412712Z",
"structure_string": "K2 Hg1 As1 Cl6\n1.0\n6.463869 -0.000000 3.731917\n2.154623 6.094194 3.731917\n-0.000000 -0.000000 7.463833\nK Hg As Cl\n2 1 1 6\ndirect\n0.750000 0.749999 0.750001 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Hg\n0.000000 0.000000 0.000000 As\n0.762864 0.237136 0.237137 Cl\n0.237136 0.237136 0.762864 Cl\n0.237136 0.762863 0.762864 Cl\n0.237136 0.762863 0.237137 Cl\n0.762864 0.237136 0.762864 Cl\n0.762864 0.762863 0.237137 Cl\n",
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{
"id": "jvasp-28585",
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"updated_at": "2022-09-04T14:37:30.567986Z",
"structure_string": "Mo3 W1 Se4 S4\n1.0\n3.255972 0.000150 -0.000156\n-1.627856 2.819903 0.000161\n-0.001250 0.000342 32.020905\nMo W Se S\n3 1 4 4\ndirect\n0.333212 0.666331 0.078724 Mo\n0.666806 0.334032 0.278932 Mo\n0.666827 0.333400 0.673184 Mo\n0.333163 0.666333 0.472079 W\n0.333390 0.666554 0.726185 Se\n0.666582 0.333012 0.025728 Se\n0.666686 0.333146 0.131772 Se\n0.333506 0.666881 0.620125 Se\n0.333345 0.667141 0.327207 S\n0.666508 0.332682 0.423564 S\n0.666566 0.333093 0.520618 S\n0.333390 0.667386 0.230630 S\n",
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{
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"created_at": "2022-09-04T14:38:09.529033Z",
"updated_at": "2022-09-04T14:38:09.529053Z",
"structure_string": "Li8 P4 O14\n1.0\n5.489584 -0.022955 0.001954\n-0.862439 5.677765 -0.030198\n-1.308957 -2.539527 9.451671\nLi P O\n8 4 14\ndirect\n0.195451 0.894270 0.193795 Li\n0.804548 0.105731 0.806204 Li\n0.589130 0.315197 0.420234 Li\n0.410869 0.684804 0.579765 Li\n0.697810 0.760808 0.302044 Li\n0.302189 0.239193 0.697955 Li\n0.694929 0.688723 0.000133 Li\n0.305070 0.311279 -0.000134 Li\n0.968459 0.777149 0.569122 P\n0.031540 0.222852 0.430877 P\n0.833346 0.291294 0.131380 P\n0.166653 0.708707 0.868619 P\n0.057279 0.759180 0.003930 O\n0.694772 0.669325 0.485470 O\n0.305227 0.330676 0.514529 O\n0.327778 0.979284 0.875067 O\n0.672220 0.020717 0.124932 O\n0.942720 0.240821 0.996069 O\n0.043088 0.369403 0.263125 O\n0.535902 0.025091 0.247663 O\n0.353278 0.533097 0.866741 O\n0.646721 0.466904 0.133259 O\n0.956910 0.630597 0.736874 O\n0.033243 0.957053 0.345973 O\n0.464097 0.974910 0.752336 O\n0.966755 0.042948 0.654027 O\n",
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{
"id": "jvasp-109800",
"created_at": "2022-09-04T14:38:20.662093Z",
"updated_at": "2022-09-04T14:38:20.662120Z",
"structure_string": "K4 Zn2 Se4\n1.0\n6.268991 0.004577 -5.131227\n-1.189816 5.819162 -5.509215\n-0.047401 -0.004577 8.101079\nK Zn Se\n4 2 4\ndirect\n0.817030 0.643645 0.173386 K\n0.182970 0.356355 0.826613 K\n0.470258 0.143645 0.326614 K\n0.529741 0.856355 0.673386 K\n-0.000001 0.749999 0.750000 Zn\n-0.000000 0.250000 0.250000 Zn\n0.699419 0.393804 0.305615 Se\n0.300580 0.606195 0.694385 Se\n0.088187 0.893804 0.194385 Se\n0.911812 0.106196 0.805615 Se\n",
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{
"id": "jvasp-19101",
"created_at": "2022-09-04T14:37:04.436968Z",
"updated_at": "2022-09-04T14:37:04.436995Z",
"structure_string": "Ca4 Nb4 O14\n1.0\n6.463548 -0.000000 3.731731\n2.154516 6.093892 3.731731\n-0.000000 0.000000 7.463463\nCa Nb O\n4 4 14\ndirect\n0.500000 0.000000 0.500000 Ca\n0.000000 0.500000 0.500000 Ca\n0.500001 0.500000 -0.000000 Ca\n0.500001 0.500000 0.499999 Ca\n0.000000 0.500000 -0.000000 Nb\n0.000000 0.000000 0.500000 Nb\n0.000000 0.000000 0.000000 Nb\n0.500000 0.000000 -0.000000 Nb\n0.068817 0.681184 0.068816 O\n0.681184 0.068816 0.681183 O\n0.681184 0.068816 0.068816 O\n0.625001 0.625000 0.624999 O\n0.931184 0.318816 0.318816 O\n0.318817 0.931184 0.318816 O\n0.318816 0.318816 0.931183 O\n0.931185 0.931184 0.318815 O\n0.931184 0.318816 0.931183 O\n0.068817 0.681184 0.681183 O\n0.318817 0.931184 0.931183 O\n0.375000 0.375000 0.375000 O\n0.681185 0.681184 0.068816 O\n0.068816 0.068816 0.681184 O\n",
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{
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"created_at": "2022-09-04T14:38:47.694725Z",
"updated_at": "2022-09-04T14:38:47.694748Z",
"structure_string": "Li4 Mn4 P4 O16\n1.0\n4.924394 0.000020 -0.000023\n-0.000021 6.358216 0.000738\n0.000047 -0.001065 9.388737\nLi Mn P O\n4 4 4 16\ndirect\n0.018583 0.250012 0.666337 Li\n0.481418 0.249999 0.166337 Li\n0.981415 0.750001 0.333660 Li\n0.518585 0.749989 0.833660 Li\n0.999979 0.500017 0.000010 Mn\n0.499980 0.499978 0.499986 Mn\n0.000013 0.000016 0.999989 Mn\n0.500028 0.999977 0.500014 Mn\n0.478455 0.750004 0.179521 P\n0.021546 0.750005 0.679521 P\n0.521537 0.249997 0.820480 P\n0.978463 0.249995 0.320480 P\n0.151719 0.548530 0.618771 O\n0.348286 0.548531 0.118770 O\n0.651706 0.451471 0.881232 O\n0.848298 0.451469 0.381234 O\n0.651699 0.048520 0.881232 O\n0.848297 0.048521 0.381230 O\n0.789044 0.750002 0.144499 O\n0.583719 0.249999 0.655040 O\n0.210946 0.250001 0.855499 O\n0.289054 0.249998 0.355498 O\n0.083717 0.750002 0.844962 O\n0.416284 0.750000 0.344961 O\n0.348284 0.951480 0.118774 O\n0.916281 0.250000 0.155041 O\n0.710954 0.750000 0.644499 O\n0.151712 0.951481 0.618772 O\n",
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{
"id": "jvasp-98227",
"created_at": "2022-09-04T14:35:49.887183Z",
"updated_at": "2022-09-04T14:35:49.887209Z",
"structure_string": "Ca6 Ru4 O14\n1.0\n5.185529 -0.000000 -1.425853\n0.000000 5.589149 -0.000000\n0.000013 0.000000 10.142316\nCa Ru O\n6 4 14\ndirect\n0.733206 0.811584 0.000000 Ca\n0.266794 0.311584 0.000000 Ca\n0.933102 0.690942 0.377882 Ca\n0.066898 0.190942 0.622119 Ca\n0.444780 0.190942 0.377882 Ca\n0.555220 0.690942 0.622119 Ca\n0.850976 0.249823 0.197588 Ru\n0.346612 0.749823 0.197588 Ru\n0.653388 0.249823 0.802413 Ru\n0.149023 0.749823 0.802412 Ru\n0.522517 0.772758 0.398177 O\n0.477483 0.272758 0.601824 O\n0.065295 0.953142 0.235764 O\n0.843831 0.226278 0.000000 O\n0.156169 0.726278 0.000000 O\n0.365994 0.050355 0.840469 O\n0.634006 0.550355 0.159531 O\n0.474474 0.550355 0.840469 O\n0.525525 0.050355 0.159531 O\n0.829531 0.953142 0.764237 O\n0.170468 0.453142 0.235764 O\n0.934704 0.453142 0.764237 O\n0.124340 0.772758 0.601824 O\n0.875660 0.272758 0.398177 O\n",
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{
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"created_at": "2022-09-04T14:38:10.199980Z",
"updated_at": "2022-09-04T14:38:10.200011Z",
"structure_string": "Bi4 S8\n1.0\n-1.236441 3.861332 0.000000\n-6.680704 -0.010608 -4.838275\n-6.569548 0.024985 6.639002\nBi S\n4 8\ndirect\n0.294682 0.301735 0.108899 Bi\n0.396766 0.826172 0.380293 Bi\n0.603232 0.173826 0.619708 Bi\n0.705316 0.698265 0.891102 Bi\n0.345468 0.469740 0.839322 S\n0.786911 0.078354 0.347822 S\n0.923410 0.619688 0.533488 S\n0.213086 0.921645 0.652179 S\n0.036284 0.876408 0.051022 S\n0.076587 0.380311 0.466514 S\n0.654530 0.530258 0.160679 S\n0.963714 0.123591 0.948979 S\n",
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{
"id": "jvasp-42681",
"created_at": "2022-09-04T14:37:00.473200Z",
"updated_at": "2022-09-04T14:37:00.473233Z",
"structure_string": "Ti2 Co3 Te3 O16\n1.0\n6.125802 0.003733 0.012116\n-3.059668 5.299539 -0.000005\n0.005402 0.003046 9.050168\nTi Co Te O\n2 3 3 16\ndirect\n0.365315 0.682664 0.509898 Ti\n0.710941 0.355481 0.971924 Ti\n0.653735 0.826876 0.204927 Co\n0.840462 0.667160 0.704021 Co\n0.840462 0.173320 0.704018 Co\n0.155967 0.826142 0.214784 Te\n0.155967 0.329843 0.214780 Te\n0.341519 0.170769 0.713369 Te\n0.832944 0.664661 0.103317 O\n0.654403 0.327209 0.597620 O\n0.518980 0.049790 0.846250 O\n0.518978 0.469206 0.846251 O\n0.663436 0.831723 0.598911 O\n0.320358 0.160189 0.102766 O\n0.458511 0.515136 0.335979 O\n-0.007534 -0.003753 0.325026 O\n0.189332 0.348092 0.598803 O\n0.014672 0.007348 0.809183 O\n0.961413 0.480717 0.840786 O\n0.306899 0.653456 0.091930 O\n0.022443 0.511228 0.343090 O\n0.189330 0.841256 0.598803 O\n0.458513 0.943390 0.335981 O\n0.832949 0.168301 0.103314 O\n",
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],
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"formula_full": "Ti2 Co3 Te3 O16",
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{
"id": "jvasp-38100",
"created_at": "2022-09-04T14:38:00.627296Z",
"updated_at": "2022-09-04T14:38:00.627320Z",
"structure_string": "Rb2 Na1 Tl1 Cl6\n1.0\n0.000000 5.277059 5.277059\n5.277059 -0.000000 5.277059\n5.277059 5.277059 -0.000000\nRb Na Tl Cl\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750000 0.750000 Rb\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Tl\n0.246401 0.753599 0.753599 Cl\n0.246401 0.753599 0.246401 Cl\n0.753599 0.246401 0.753599 Cl\n0.753599 0.753599 0.246401 Cl\n0.246401 0.246401 0.753599 Cl\n0.753599 0.246401 0.246401 Cl\n",
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}
]
}