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{
"id": "jvasp-28982",
"created_at": "2022-09-04T14:37:32.567771Z",
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"structure_string": "Te6 Mo2 W2 S2\n1.0\n3.453266 -0.000000 0.000001\n-1.726633 2.990654 0.000025\n0.000014 0.000337 39.335739\nTe Mo W S\n6 2 2 2\ndirect\n0.333360 0.666720 0.704915 Te\n0.666642 0.333282 0.046786 Te\n0.666649 0.333296 0.422406 Te\n0.666643 0.333283 0.141145 Te\n0.666649 0.333296 0.516813 Te\n0.333354 0.666708 0.610173 Te\n0.333314 0.666626 0.093858 Mo\n0.333296 0.666593 0.469663 Mo\n0.666697 0.333396 0.281772 W\n0.666690 0.333379 0.657623 W\n0.333356 0.666712 0.319837 S\n0.333353 0.666705 0.243756 S\n",
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{
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"structure_string": "Zr1 Sc1 Mn1 Ni3\n1.0\n4.283119 -0.000000 -2.479719\n-1.423741 4.039563 2.479719\n-0.023775 0.016829 4.897824\nZr Sc Mn Ni\n1 1 1 3\ndirect\n0.997323 0.002676 0.991971 Zr\n0.251248 0.748751 0.753745 Sc\n0.625198 0.374801 0.875595 Mn\n0.625020 0.374979 0.376228 Ni\n0.625020 0.873812 0.376228 Ni\n0.126187 0.374979 0.376228 Ni\n",
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{
"id": "jvasp-88380",
"created_at": "2022-09-04T14:36:18.516013Z",
"updated_at": "2022-09-04T14:36:18.516037Z",
"structure_string": "Na2 Zr2 Cu2 S6\n1.0\n3.707296 0.000000 -0.000000\n-1.853649 6.433699 0.000000\n0.000000 -0.000000 9.791211\nNa Zr Cu S\n2 2 2 6\ndirect\n0.750685 0.501368 0.750000 Na\n0.249316 0.498632 0.250000 Na\n0.000000 0.000000 0.500000 Zr\n0.000000 0.000000 0.000000 Zr\n0.468574 0.937148 0.750000 Cu\n0.531427 0.062852 0.250000 Cu\n0.920858 0.841717 0.250000 S\n0.366717 0.733434 0.941533 S\n0.079142 0.158284 0.750000 S\n0.366717 0.733434 0.558467 S\n0.633283 0.266566 0.058467 S\n0.633283 0.266566 0.441533 S\n",
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{
"id": "jvasp-57838",
"created_at": "2022-09-04T14:37:19.440679Z",
"updated_at": "2022-09-04T14:37:19.440705Z",
"structure_string": "Ho4 Se4 O12 F4\n1.0\n0.000000 6.602497 0.030501\n6.866468 0.000000 0.000000\n0.000000 -1.104126 -7.070181\nHo Se O F\n4 4 12 4\ndirect\n0.137752 0.140663 0.823854 Ho\n0.862248 0.859337 0.176146 Ho\n0.862247 0.640664 0.676146 Ho\n0.137753 0.359337 0.323854 Ho\n0.643750 0.383298 0.208626 Se\n0.356250 0.616703 0.791374 Se\n0.356251 0.883298 0.291374 Se\n0.643749 0.116702 0.708626 Se\n0.824868 0.535200 0.352383 O\n0.824868 0.964800 0.852383 O\n0.175132 0.035200 0.147617 O\n0.823049 0.304348 0.716695 O\n0.514535 0.811921 0.136886 O\n0.514534 0.688080 0.636886 O\n0.485465 0.311921 0.363114 O\n0.823049 0.195652 0.216695 O\n0.175132 0.464800 0.647617 O\n0.485465 0.188079 0.863114 O\n0.176951 0.695652 0.283305 O\n0.176951 0.804348 0.783305 O\n0.169203 0.110583 0.523331 F\n0.830797 0.610583 0.976669 F\n0.169203 0.389417 0.023331 F\n0.830797 0.889417 0.476669 F\n",
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{
"id": "jvasp-112864",
"created_at": "2022-09-04T14:38:44.011549Z",
"updated_at": "2022-09-04T14:38:44.011561Z",
"structure_string": "Na4 Fe4 B4 O12\n1.0\n4.943602 -0.000216 0.958308\n0.000373 8.950508 0.000832\n0.019209 -0.000926 5.546486\nNa Fe B O\n4 4 4 12\ndirect\n-0.000008 0.335241 0.749958 Na\n0.500003 0.835222 0.750022 Na\n0.499994 0.164755 0.249985 Na\n0.000011 0.664781 0.250038 Na\n0.500010 0.499998 0.499974 Fe\n0.499997 0.499998 0.000021 Fe\n-0.000011 0.000001 0.500027 Fe\n0.000002 0.000002 0.999979 Fe\n0.000001 0.331660 0.249964 B\n0.500001 0.831674 0.250030 B\n0.499991 0.168338 0.749974 B\n0.000005 0.668326 0.750034 B\n0.214759 0.407694 0.314696 O\n0.500012 0.323278 0.749919 O\n-0.000031 0.823270 0.750021 O\n0.000028 0.176718 0.249982 O\n0.499998 0.676732 0.250075 O\n0.285204 0.092321 0.685263 O\n0.785244 0.592294 0.685305 O\n0.714748 0.092327 0.814740 O\n0.214807 0.592336 0.814768 O\n0.785209 0.407657 0.185222 O\n0.285229 0.907676 0.185274 O\n0.714787 0.907693 0.314741 O\n",
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{
"id": "jvasp-25637",
"created_at": "2022-09-04T14:37:42.519978Z",
"updated_at": "2022-09-04T14:37:42.519991Z",
"structure_string": "Tm4 Se4 O12 F4\n1.0\n0.000000 6.549535 0.020355\n6.832595 0.000000 0.000000\n0.000000 -1.051965 -7.000321\nTm Se O F\n4 4 12 4\ndirect\n0.864015 0.858424 0.175138 Tm\n0.135987 0.141577 0.824862 Tm\n0.864015 0.641577 0.675138 Tm\n0.135986 0.358423 0.324862 Tm\n0.356562 0.882153 0.291985 Se\n0.356562 0.617848 0.791985 Se\n0.643440 0.117848 0.708016 Se\n0.643440 0.382153 0.208016 Se\n0.176435 0.806930 0.782336 O\n0.481409 0.311942 0.363621 O\n0.481409 0.188059 0.863621 O\n0.826107 0.966463 0.852978 O\n0.518593 0.688059 0.636379 O\n0.176435 0.693071 0.282336 O\n0.823567 0.306930 0.717665 O\n0.518593 0.811942 0.136379 O\n0.823566 0.193070 0.217665 O\n0.826106 0.533538 0.352978 O\n0.173895 0.466462 0.647022 O\n0.173895 0.033538 0.147022 O\n0.166229 0.113457 0.524874 F\n0.833773 0.613457 0.975126 F\n0.166229 0.386543 0.024874 F\n0.833772 0.886544 0.475126 F\n",
"nsites": 24,
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"formula_full": "Tm4 Se4 O12 F4",
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{
"id": "jvasp-29145",
"created_at": "2022-09-04T14:37:37.598587Z",
"updated_at": "2022-09-04T14:37:37.598607Z",
"structure_string": "Te2 Mo2 W2 Se6\n1.0\n3.381961 0.000000 -0.000000\n-1.690980 2.928828 -0.000009\n-0.000000 -0.000111 38.353537\nTe Mo W Se\n2 2 2 6\ndirect\n0.333358 0.666716 0.706447 Te\n0.333355 0.666713 0.608544 Te\n0.333307 0.666614 0.093919 Mo\n0.666692 0.333384 0.657561 Mo\n0.333313 0.666626 0.469639 W\n0.666688 0.333376 0.281795 W\n0.333355 0.666710 0.325100 Se\n0.666637 0.333274 0.050918 Se\n0.666648 0.333296 0.426355 Se\n0.666646 0.333290 0.137033 Se\n0.666649 0.333297 0.512937 Se\n0.333353 0.666708 0.238498 Se\n",
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{
"id": "jvasp-21878",
"created_at": "2022-09-04T14:37:32.771461Z",
"updated_at": "2022-09-04T14:37:32.771482Z",
"structure_string": "K2 U2 Cu2 S6\n1.0\n3.920916 0.000000 0.000000\n-1.960458 6.900107 0.000000\n0.000000 -0.000000 10.183573\nK U Cu S\n2 2 2 6\ndirect\n0.257567 0.515134 0.250000 K\n0.742434 0.484867 0.750000 K\n0.000000 0.000000 0.500000 U\n0.000000 0.000000 0.000000 U\n0.464047 0.928095 0.750000 Cu\n0.535954 0.071906 0.250000 Cu\n0.372915 0.745830 0.559117 S\n0.627086 0.254170 0.440883 S\n0.627086 0.254170 0.059117 S\n0.062697 0.125393 0.750000 S\n0.937304 0.874608 0.250000 S\n0.372915 0.745830 0.940882 S\n",
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{
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"created_at": "2022-09-04T14:37:41.892089Z",
"updated_at": "2022-09-04T14:37:41.892105Z",
"structure_string": "Rb2 Sb2 Br2 F6\n1.0\n4.415251 -0.009793 -0.056299\n-1.799316 7.415549 -0.012300\n-1.485996 -3.543253 8.092635\nRb Sb Br F\n2 2 2 6\ndirect\n0.983132 0.305839 0.648997 Rb\n0.016866 0.694162 0.351003 Rb\n0.305997 0.159447 0.207918 Sb\n0.694002 0.840554 0.792083 Sb\n0.429995 0.761360 0.064769 Br\n0.570003 0.238641 0.935232 Br\n0.597600 0.549680 0.677720 F\n0.695665 0.885740 0.583031 F\n0.304333 0.114261 0.416970 F\n0.402398 0.450321 0.322280 F\n0.211087 0.762997 0.698131 F\n0.788912 0.237004 0.301869 F\n",
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{
"id": "jvasp-104695",
"created_at": "2022-09-04T14:36:55.535697Z",
"updated_at": "2022-09-04T14:36:55.535728Z",
"structure_string": "Sm1 Mn1 Co3 Cu1\n1.0\n5.002144 0.000000 0.000000\n-2.501071 4.331984 0.000000\n0.000000 -0.000000 3.880781\nSm Mn Co Cu\n1 1 3 1\ndirect\n0.666666 0.333333 -0.000000 Sm\n0.333333 0.666666 -0.000000 Mn\n0.666034 0.833017 0.500000 Co\n0.166982 0.833017 0.500000 Co\n0.166983 0.333965 0.500000 Co\n0.000000 0.000000 0.000000 Cu\n",
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{
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"created_at": "2022-09-04T14:36:54.888859Z",
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"structure_string": "Te2 Mo2 W2 S6\n1.0\n3.288161 0.000000 0.000000\n-1.644081 2.846995 0.000023\n0.000000 0.000269 38.677376\nTe Mo W S\n2 2 2 6\ndirect\n0.666734 0.333467 0.419336 Te\n0.666732 0.333463 0.519251 Te\n0.333341 0.666682 0.469252 Mo\n0.666660 0.333320 0.281030 Mo\n0.333309 0.666619 0.093906 W\n0.666699 0.333398 0.658794 W\n0.333247 0.666495 0.320655 S\n0.333305 0.666611 0.698528 S\n0.666706 0.333413 0.054069 S\n0.666706 0.333412 0.133784 S\n0.333247 0.666494 0.241296 S\n0.333309 0.666618 0.618848 S\n",
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"formula_full": "Te2 Mo2 W2 S6",
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{
"id": "jvasp-10669",
"created_at": "2022-09-04T14:37:17.305324Z",
"updated_at": "2022-09-04T14:37:17.305353Z",
"structure_string": "Ba2 Y2 Cu2 Te6\n1.0\n4.437290 0.000000 -0.000000\n-2.218646 7.435869 -0.000000\n0.000000 -0.000000 11.386429\nBa Y Cu Te\n2 2 2 6\ndirect\n0.249611 0.499224 0.250000 Ba\n0.750388 0.500776 0.750000 Ba\n0.000000 0.000000 0.500000 Y\n0.000000 0.000000 0.000000 Y\n0.466372 0.932745 0.750000 Cu\n0.533627 0.067255 0.250000 Cu\n0.362176 0.724354 0.940915 Te\n0.929320 0.858641 0.250000 Te\n0.637823 0.275646 0.440915 Te\n0.637823 0.275646 0.059085 Te\n0.362176 0.724354 0.559085 Te\n0.070679 0.141359 0.750000 Te\n",
"nsites": 12,
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],
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}
]
}