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{
"id": "jvasp-23751",
"created_at": "2022-09-04T14:37:32.830086Z",
"updated_at": "2022-09-04T14:37:32.830110Z",
"structure_string": "Tb4 Sn4 Pt4\n1.0\n4.556574 -0.000000 0.000000\n-0.000000 7.222323 0.000000\n0.000000 0.000000 8.073920\nTb Sn Pt\n4 4 4\ndirect\n0.749999 0.489317 0.806499 Tb\n0.250000 0.010683 0.306499 Tb\n0.749999 0.989317 0.693501 Tb\n0.250000 0.510682 0.193501 Tb\n0.250000 0.675550 0.583861 Sn\n0.250000 0.175550 0.916139 Sn\n0.749999 0.324450 0.416139 Sn\n0.749999 0.824449 0.083861 Sn\n0.250000 0.778261 0.908526 Pt\n0.250000 0.278261 0.591474 Pt\n0.749999 0.721738 0.408526 Pt\n0.749999 0.221739 0.091474 Pt\n",
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"structure_string": "Li4 Co6 W2 O16\n1.0\n5.740260 0.000004 0.000475\n-2.870126 4.971203 -0.000948\n-0.000820 0.001419 9.310285\nLi Co W O\n4 6 2 16\ndirect\n0.333337 0.666679 0.901020 Li\n-0.000060 -0.000013 0.995898 Li\n0.000061 0.000048 0.495898 Li\n0.666662 0.333340 0.401020 Li\n0.831606 0.663166 0.714462 Co\n0.336895 0.168456 0.714464 Co\n0.831610 0.168461 0.714464 Co\n0.168389 0.336851 0.214465 Co\n0.168392 0.831559 0.214463 Co\n0.663104 0.831560 0.214464 Co\n0.333355 0.666689 0.491848 W\n0.666644 0.333332 0.991848 W\n0.335407 0.167714 0.095109 O\n0.832235 0.664542 0.095121 O\n0.666700 0.333358 0.612466 O\n0.518882 0.037717 0.838812 O\n0.518878 0.481179 0.838813 O\n0.664591 0.832305 0.595108 O\n0.481118 0.518835 0.338812 O\n0.037687 0.518854 0.338825 O\n0.167759 0.335482 0.595124 O\n0.000044 0.000033 0.807487 O\n0.999955 0.999986 0.307487 O\n0.333298 0.666657 0.112466 O\n0.962312 0.481168 0.838824 O\n0.167763 0.832309 0.595121 O\n0.481120 0.962300 0.338813 O\n0.832240 0.167720 0.095124 O\n",
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{
"id": "jvasp-38229",
"created_at": "2022-09-04T14:37:58.553804Z",
"updated_at": "2022-09-04T14:37:58.553816Z",
"structure_string": "Rb3 Li1\n1.0\n6.428566 0.000000 -0.000000\n0.000000 6.428566 0.000000\n-0.000000 -0.000000 6.428566\nRb Li\n3 1\ndirect\n0.000000 0.500000 0.500000 Rb\n0.500000 0.000000 0.500000 Rb\n0.500000 0.500000 0.000000 Rb\n0.000000 0.000000 0.000000 Li\n",
"nsites": 4,
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{
"id": "jvasp-106038",
"created_at": "2022-09-04T14:35:52.822624Z",
"updated_at": "2022-09-04T14:35:52.822657Z",
"structure_string": "Mg3 Mn1 Te4\n1.0\n4.551611 0.000000 -0.000000\n0.000000 4.551611 0.000000\n0.000000 0.000000 12.820899\nMg Mn Te\n3 1 4\ndirect\n0.000000 0.000000 0.753735 Mg\n0.500000 0.500000 0.500000 Mg\n0.000000 0.000000 0.246265 Mg\n0.500000 0.500000 0.000000 Mn\n0.000000 0.500000 0.373066 Te\n0.500000 0.000000 0.118809 Te\n0.000000 0.500000 0.881191 Te\n0.500000 0.000000 0.626935 Te\n",
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"volume": 265.6126504832784,
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{
"id": "jvasp-42048",
"created_at": "2022-09-04T14:37:46.163998Z",
"updated_at": "2022-09-04T14:37:46.164012Z",
"structure_string": "K2 Tl6\n1.0\n3.752414 -6.499371 -0.000000\n3.752414 6.499371 0.000000\n-0.000000 0.000000 5.444838\nK Tl\n2 6\ndirect\n0.666666 0.333333 0.750000 K\n0.333333 0.666666 0.250000 K\n0.846690 0.153309 0.250000 Tl\n0.846690 0.693380 0.250000 Tl\n0.306619 0.153309 0.250000 Tl\n0.153309 0.846690 0.750000 Tl\n0.153309 0.306619 0.750000 Tl\n0.693380 0.846690 0.750000 Tl\n",
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{
"id": "jvasp-42560",
"created_at": "2022-09-04T14:36:05.905815Z",
"updated_at": "2022-09-04T14:36:05.905841Z",
"structure_string": "Sr4 Ta4 N4 O8\n1.0\n3.997777 4.114729 0.000190\n-3.997777 4.114729 -0.000190\n0.000439 0.000000 8.072289\nSr Ta N O\n4 4 4 8\ndirect\n-0.003479 -0.003479 0.250000 Sr\n0.506257 0.506257 0.250000 Sr\n0.507750 0.507749 0.750000 Sr\n0.995601 0.995601 0.750000 Sr\n-0.001331 0.491746 0.508931 Ta\n0.015203 0.510468 0.997780 Ta\n0.491747 -0.001331 0.991069 Ta\n0.510468 0.015202 0.502220 Ta\n0.748836 0.249471 0.495277 N\n0.459614 0.036523 0.750058 N\n0.036523 0.459614 0.749943 N\n0.249471 0.748836 0.004723 N\n0.247422 0.746789 0.490394 O\n0.540975 0.953812 0.250756 O\n0.248326 0.248200 0.049030 O\n0.748961 0.748855 0.534675 O\n0.248200 0.248326 0.450970 O\n0.748855 0.748961 0.965325 O\n0.953812 0.540975 0.249244 O\n0.746789 0.247422 0.009606 O\n",
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"density_atomic": 0.07530841318156684,
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{
"id": "jvasp-19354",
"created_at": "2022-09-04T14:38:35.062099Z",
"updated_at": "2022-09-04T14:38:35.062119Z",
"structure_string": "Zn4 Bi4 O12\n1.0\n5.597291 0.000081 0.000905\n-0.000154 5.656353 -0.003111\n-0.001346 -0.222056 8.388373\nZn Bi O\n4 4 12\ndirect\n0.982193 0.976261 0.755138 Zn\n0.517807 0.476268 0.255134 Zn\n0.482193 0.523731 0.744866 Zn\n0.017806 0.023737 0.244861 Zn\n0.000000 0.500000 0.000000 Bi\n0.500000 -0.000000 -0.000000 Bi\n0.500000 -0.000000 0.500000 Bi\n-0.000000 0.499999 0.500000 Bi\n0.857216 0.834955 0.070463 O\n0.668800 0.361613 0.910427 O\n0.331200 0.638386 0.089572 O\n0.142784 0.165044 0.929536 O\n0.831194 0.861612 0.410424 O\n0.133106 0.637560 0.766310 O\n0.633105 0.862434 0.733687 O\n0.866894 0.362439 0.233689 O\n0.357215 0.665043 0.429529 O\n0.366895 0.137564 0.266312 O\n0.642785 0.334956 0.570470 O\n0.168806 0.138387 0.589575 O\n",
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{
"id": "jvasp-64762",
"created_at": "2022-09-04T14:36:08.237509Z",
"updated_at": "2022-09-04T14:36:08.237529Z",
"structure_string": "Ba4 Sc1 Tl1\n1.0\n-0.000000 5.101728 5.101728\n5.101728 -0.000000 5.101728\n5.101728 5.101728 -0.000000\nBa Sc Tl\n4 1 1\ndirect\n0.123944 0.625353 0.625353 Ba\n0.625353 0.625353 0.625353 Ba\n0.625353 0.123944 0.625353 Ba\n0.625353 0.625353 0.123944 Ba\n0.250000 0.250000 0.250000 Sc\n0.000000 0.000000 0.000000 Tl\n",
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{
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"created_at": "2022-09-04T14:37:10.376688Z",
"updated_at": "2022-09-04T14:37:10.376704Z",
"structure_string": "Ca6 Zn2\n1.0\n4.038928 0.000000 0.000000\n-2.019464 6.601962 0.000000\n0.000000 0.000000 9.958762\nCa Zn\n6 2\ndirect\n0.432033 0.864065 0.750000 Ca\n0.567968 0.135935 0.250000 Ca\n0.142413 0.284826 0.938145 Ca\n0.857588 0.715174 0.061855 Ca\n0.857588 0.715174 0.438145 Ca\n0.142413 0.284826 0.561855 Ca\n0.755468 0.510935 0.750000 Zn\n0.244533 0.489065 0.250000 Zn\n",
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{
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"created_at": "2022-09-04T14:38:06.988530Z",
"updated_at": "2022-09-04T14:38:06.988552Z",
"structure_string": "Sn1 Br6 N2\n1.0\n-5.101497 -5.101497 0.000000\n-5.101497 -0.000000 -5.101497\n0.000000 -5.101497 -5.101497\nSn Br N\n1 6 2\ndirect\n0.000000 0.000000 0.000000 Sn\n0.743034 0.256967 0.256967 Br\n0.743034 0.256967 0.743034 Br\n0.743034 0.743034 0.256967 Br\n0.256967 0.743034 0.743034 Br\n0.256967 0.743034 0.256967 Br\n0.256967 0.256967 0.743034 Br\n0.250000 0.250000 0.250000 N\n0.750000 0.750000 0.750000 N\n",
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{
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"created_at": "2022-09-04T14:36:03.427021Z",
"updated_at": "2022-09-04T14:36:03.427044Z",
"structure_string": "Li14 Fe2 O8 F4\n1.0\n-5.347230 0.065616 0.654077\n2.527265 5.042868 -1.653782\n1.023399 0.180008 -9.962955\nLi Fe O F\n14 2 8 4\ndirect\n0.076436 0.022072 0.783651 Li\n0.028185 0.121490 0.250362 Li\n0.448515 0.557199 0.721379 Li\n0.486119 -0.016700 0.402212 Li\n0.002020 0.521473 0.118126 Li\n0.966549 0.196742 0.468055 Li\n0.501220 0.779820 0.933511 Li\n0.524250 0.856494 0.176114 Li\n0.527691 0.347837 0.029105 Li\n0.016479 0.724325 0.574158 Li\n0.982065 0.458104 0.880608 Li\n0.586819 0.157727 0.643807 Li\n0.505442 0.390779 0.244844 Li\n0.007540 0.639770 0.346930 Li\n0.068532 -0.024852 0.031871 Fe\n0.488500 0.540260 0.444008 Fe\n0.785319 0.875689 0.383118 O\n0.213782 0.462527 0.287722 O\n0.281413 0.636837 0.527660 O\n0.223720 0.303748 0.887839 O\n0.173466 0.776241 0.956936 O\n0.668826 0.317522 0.444331 O\n0.305014 0.052300 0.198803 O\n0.723942 0.674867 0.101356 O\n0.799163 0.212581 0.063908 F\n0.188736 0.053491 0.618825 F\n0.747335 0.470702 0.710841 F\n0.672939 0.890974 0.769903 F\n",
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"created_at": "2022-09-04T14:36:20.326460Z",
"updated_at": "2022-09-04T14:36:20.326486Z",
"structure_string": "Rb2 Te1 Cl6\n1.0\n6.247943 0.000000 3.607251\n2.082647 5.890618 3.607251\n0.000000 0.000000 7.214503\nRb Te Cl\n2 1 6\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750000 0.749999 Rb\n0.000000 0.000000 0.000000 Te\n0.251436 0.748565 0.748564 Cl\n0.251436 0.748565 0.251435 Cl\n0.748564 0.251436 0.748564 Cl\n0.748564 0.251436 0.251436 Cl\n0.748564 0.748565 0.251435 Cl\n0.251436 0.251436 0.748564 Cl\n",
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"formula_full": "Rb2 Te1 Cl6",
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]
}