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{
"id": "jvasp-52544",
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"structure_string": "Ba4 Y2 Br14\n1.0\n8.706621 4.279726 -0.477934\n-8.706621 4.279726 0.477934\n-6.415061 0.000000 8.799743\nBa Y Br\n4 2 14\ndirect\n0.306472 0.683647 0.721771 Ba\n0.316353 0.693528 0.221771 Ba\n0.683647 0.306472 0.778229 Ba\n0.693528 0.316353 0.278229 Ba\n0.963054 0.963054 0.750000 Y\n0.036947 0.036947 0.250000 Y\n0.927546 0.752694 0.063169 Br\n0.892754 0.641440 0.450771 Br\n0.399483 0.399483 0.250000 Br\n0.247307 0.072455 0.563169 Br\n0.641440 0.892754 0.049229 Br\n0.358561 0.107247 0.950770 Br\n0.107247 0.358561 0.549229 Br\n0.600518 0.600518 0.750000 Br\n0.688099 0.069408 0.652277 Br\n0.072455 0.247307 0.936831 Br\n0.311901 0.930593 0.347722 Br\n0.069408 0.688099 0.847722 Br\n0.752694 0.927546 0.436831 Br\n0.930593 0.311901 0.152278 Br\n",
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{
"id": "jvasp-122442",
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"updated_at": "2022-09-04T14:38:53.959386Z",
"structure_string": "K4 Ag4 Te4 S12\n1.0\n10.680776 0.000000 0.000000\n-0.000000 7.011611 2.045657\n-0.000000 0.008372 8.407767\nK Ag Te S\n4 4 4 12\ndirect\n0.247159 0.486637 0.879395 K\n0.752841 0.513363 0.120606 K\n0.747159 0.513363 0.620606 K\n0.252841 0.486637 0.379395 K\n0.253733 0.913952 0.518094 Ag\n0.746267 0.086048 0.481907 Ag\n0.753733 0.086048 0.981907 Ag\n0.246267 0.913952 0.018094 Ag\n0.010061 0.088775 0.726121 Te\n0.989939 0.911225 0.273880 Te\n0.510061 0.911225 0.773880 Te\n0.489939 0.088775 0.226121 Te\n0.952919 0.289251 0.900729 S\n0.049039 0.722077 0.546940 S\n0.950961 0.277922 0.453061 S\n0.549040 0.277922 0.953061 S\n0.450961 0.722078 0.046940 S\n0.734722 0.854442 0.787389 S\n0.265279 0.145557 0.212611 S\n0.234722 0.145557 0.712612 S\n0.765279 0.854442 0.287389 S\n0.452919 0.710748 0.599272 S\n0.547082 0.289251 0.400729 S\n0.047082 0.710749 0.099272 S\n",
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"density_atomic": 0.03812730768116857,
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"formula_full": "K4 Ag4 Te4 S12",
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{
"id": "jvasp-12798",
"created_at": "2022-09-04T14:37:56.402555Z",
"updated_at": "2022-09-04T14:37:56.402577Z",
"structure_string": "Na12 Ga4 S12\n1.0\n6.907935 0.000000 0.000000\n0.000000 7.166408 -0.099427\n0.000000 -0.028362 12.704434\nNa Ga S\n12 4 12\ndirect\n0.463462 0.724229 0.790189 Na\n0.963462 0.775772 0.709810 Na\n0.536539 0.275772 0.209811 Na\n0.036539 0.224229 0.290189 Na\n0.503351 0.338226 0.610369 Na\n0.003350 0.161775 0.889631 Na\n0.496650 0.661775 0.389631 Na\n0.996651 0.838226 0.110369 Na\n0.502650 0.209742 0.898813 Na\n0.002650 0.290258 0.601186 Na\n0.497351 0.790258 0.101186 Na\n0.997351 0.709742 0.398814 Na\n0.357738 0.913899 0.583693 Ga\n0.642263 0.086102 0.416306 Ga\n0.142262 0.413899 0.083693 Ga\n0.857738 0.586102 0.916306 Ga\n0.742975 0.879885 0.926548 S\n0.699310 0.924157 0.570023 S\n0.199310 0.575844 0.929976 S\n0.300691 0.075844 0.429976 S\n0.800691 0.424156 0.070024 S\n0.257429 0.071742 0.728706 S\n0.757430 0.428258 0.771294 S\n0.742571 0.928258 0.271294 S\n0.242571 0.571742 0.228706 S\n0.257026 0.120116 0.073451 S\n0.757026 0.379884 0.426549 S\n0.242975 0.620116 0.573451 S\n",
"nsites": 28,
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"volume": 628.9145497291344,
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"formula_full": "Na12 Ga4 S12",
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{
"id": "jvasp-112545",
"created_at": "2022-09-04T14:38:41.753639Z",
"updated_at": "2022-09-04T14:38:41.753655Z",
"structure_string": "Ho16 In6 Co2\n1.0\n10.242143 0.000000 0.000000\n-5.121072 8.869956 0.000000\n-0.000000 -0.000000 6.918806\nHo In Co\n16 6 2\ndirect\n0.535070 0.070140 0.504781 Ho\n0.000000 0.000000 0.992957 Ho\n0.000000 0.000000 0.492957 Ho\n0.333334 0.666667 0.395828 Ho\n0.666667 0.333333 0.895828 Ho\n0.356526 0.178264 0.212100 Ho\n0.821737 0.643474 0.212100 Ho\n0.178264 0.821737 0.712101 Ho\n0.821736 0.178264 0.212100 Ho\n0.178264 0.356526 0.712101 Ho\n0.464930 0.535070 0.004781 Ho\n0.070140 0.535070 0.004781 Ho\n0.464930 0.929861 0.004781 Ho\n0.535070 0.464930 0.504781 Ho\n0.929860 0.464930 0.504781 Ho\n0.643474 0.821737 0.712101 Ho\n0.836992 0.673985 0.752383 In\n0.326015 0.163008 0.752383 In\n0.836992 0.163008 0.752383 In\n0.163008 0.326015 0.252382 In\n0.673985 0.836993 0.252382 In\n0.163008 0.836993 0.252382 In\n0.666667 0.333333 0.282446 Co\n0.333334 0.666667 0.782447 Co\n",
"nsites": 24,
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"elements": [
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],
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{
"id": "jvasp-25918",
"created_at": "2022-09-04T14:38:16.921535Z",
"updated_at": "2022-09-04T14:38:16.921556Z",
"structure_string": "K4 Zr4 Sn4 F28\n1.0\n5.958326 0.000000 -0.000000\n0.000000 8.432195 0.000000\n-0.000000 0.000000 12.508035\nK Zr Sn F\n4 4 4 28\ndirect\n0.786667 0.750000 0.750000 K\n0.786667 0.250000 0.750000 K\n0.213334 0.250000 0.250000 K\n0.213334 0.750000 0.250000 K\n0.749747 0.000000 0.085998 Zr\n0.250253 0.000000 0.914002 Zr\n0.250253 0.500000 0.585999 Zr\n0.749747 0.500000 0.414002 Zr\n0.757294 0.500000 0.092101 Sn\n0.242707 0.500000 0.907899 Sn\n0.757294 0.000000 0.407899 Sn\n0.242707 0.000000 0.592101 Sn\n0.874890 0.000000 0.584195 F\n0.497720 0.500000 0.304096 F\n0.844934 0.733845 0.390225 F\n0.874890 0.500000 0.915805 F\n0.906982 0.000000 0.240565 F\n0.500000 0.644427 0.500000 F\n0.093018 0.500000 0.740565 F\n0.502281 0.500000 0.695905 F\n0.128247 0.500000 0.427959 F\n0.500000 0.855572 0.000000 F\n0.497720 0.000000 0.195904 F\n0.125111 0.500000 0.084195 F\n0.871753 0.500000 0.572042 F\n0.500000 0.355572 0.500000 F\n0.500000 0.144427 0.000000 F\n0.155067 0.766154 0.890225 F\n0.844934 0.766154 0.109775 F\n0.155067 0.733845 0.609775 F\n0.155067 0.233845 0.890225 F\n0.093018 0.000000 0.759436 F\n0.906982 0.500000 0.259435 F\n0.125111 0.000000 0.415805 F\n0.128247 0.000000 0.072041 F\n0.844934 0.233845 0.109775 F\n0.844934 0.266155 0.390225 F\n0.502281 0.000000 0.804096 F\n0.871753 0.000000 0.927959 F\n0.155067 0.266155 0.609775 F\n",
"nsites": 40,
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"formula_full": "K4 Zr4 Sn4 F28",
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{
"id": "jvasp-62567",
"created_at": "2022-09-04T14:36:04.361994Z",
"updated_at": "2022-09-04T14:36:04.362021Z",
"structure_string": "Ba2 Na2 B18 O30\n1.0\n6.671540 -5.568724 0.012251\n6.671540 5.568724 0.012251\n2.007831 -0.000000 8.455111\nBa Na B O\n2 2 18 30\ndirect\n0.501974 0.501974 0.501974 Ba\n0.001974 0.001974 0.001974 Ba\n0.719523 0.719523 0.719523 Na\n0.219523 0.219523 0.219523 Na\n0.442573 0.932283 0.789218 B\n0.716185 0.839642 0.283346 B\n0.283346 0.716184 0.839642 B\n0.216185 0.783346 0.339642 B\n0.783346 0.339642 0.216184 B\n0.339642 0.216185 0.783346 B\n0.127404 0.276601 0.615185 B\n0.839642 0.283347 0.716184 B\n0.276601 0.615185 0.127404 B\n0.115186 0.776600 0.627404 B\n0.776601 0.627404 0.115185 B\n0.627404 0.115186 0.776601 B\n0.942573 0.289219 0.432283 B\n0.432283 0.942573 0.289218 B\n0.289219 0.432283 0.942573 B\n0.932283 0.789219 0.442573 B\n0.789219 0.442573 0.932283 B\n0.615185 0.127404 0.276601 B\n0.793340 0.774143 0.137600 O\n0.774142 0.137600 0.793340 O\n0.508157 0.237800 0.749969 O\n0.749969 0.508157 0.237800 O\n0.237800 0.749969 0.508157 O\n0.249969 0.737800 0.008157 O\n0.284155 0.928418 0.266968 O\n0.008157 0.249969 0.737800 O\n0.266968 0.284155 0.928418 O\n0.928418 0.266969 0.284155 O\n0.428418 0.784155 0.766968 O\n0.137600 0.793339 0.774142 O\n0.737800 0.008158 0.249969 O\n0.293340 0.637600 0.274142 O\n0.284977 0.461076 0.097130 O\n0.274143 0.293340 0.637600 O\n0.817327 0.314447 0.548759 O\n0.548760 0.817327 0.314447 O\n0.314447 0.548760 0.817327 O\n0.048760 0.814447 0.317327 O\n0.814447 0.317327 0.048760 O\n0.317327 0.048760 0.814447 O\n0.097130 0.284977 0.461076 O\n0.461076 0.097130 0.284977 O\n0.784155 0.766968 0.428418 O\n0.961076 0.784977 0.597130 O\n0.784977 0.597130 0.961076 O\n0.597130 0.961076 0.784977 O\n0.637600 0.274143 0.293340 O\n0.766968 0.428418 0.784155 O\n",
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"formula_full": "Ba2 Na2 B18 O30",
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{
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"created_at": "2022-09-04T14:37:43.575146Z",
"updated_at": "2022-09-04T14:37:43.575177Z",
"structure_string": "Sb2 S2 Cl18\n1.0\n7.054386 -0.005294 -1.919556\n-3.361993 6.487411 -0.244130\n-0.073651 -0.021869 13.751012\nSb S Cl\n2 2 18\ndirect\n0.000000 0.000000 0.000000 Sb\n0.000000 0.500000 0.500000 Sb\n0.565827 0.150494 0.716320 S\n0.434174 0.849507 0.283680 S\n0.172936 0.794870 0.967807 Cl\n0.891640 0.701235 0.592873 Cl\n0.148111 0.036970 0.185080 Cl\n0.827065 0.205130 0.032193 Cl\n0.384352 0.211870 0.596222 Cl\n0.772368 0.431132 0.802215 Cl\n0.366333 0.687910 0.612857 Cl\n0.693161 0.693161 -0.000000 Cl\n0.615649 0.788131 0.403778 Cl\n0.306840 0.306840 -0.000000 Cl\n0.108362 0.298765 0.407127 Cl\n0.075052 0.753475 0.387142 Cl\n0.628918 0.970152 0.197784 Cl\n0.924950 0.246526 0.612857 Cl\n0.633668 0.312090 0.387142 Cl\n0.227633 0.568868 0.197785 Cl\n0.371084 0.029848 0.802215 Cl\n0.851891 0.963031 0.814920 Cl\n",
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{
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"updated_at": "2022-09-04T14:37:37.139248Z",
"structure_string": "Y6 Os1 I10\n1.0\n7.622901 -0.046928 -0.048082\n-2.456378 9.246769 -0.077539\n-1.167517 -3.261524 8.962585\nY Os I\n6 1 10\ndirect\n0.113671 0.038814 0.754472 Y\n0.886328 0.961186 0.245528 Y\n0.973297 0.287990 0.086646 Y\n0.026703 0.712011 0.913355 Y\n0.359840 0.131035 0.170990 Y\n0.640160 0.868965 0.829011 Y\n0.000000 0.000000 0.000000 Os\n0.548565 0.187627 0.906768 I\n0.451434 0.812373 0.093233 I\n0.910962 0.628617 0.184372 I\n0.089038 0.371384 0.815628 I\n0.634580 0.536547 0.722841 I\n0.271181 0.090226 0.466000 I\n0.795548 0.269667 0.359353 I\n0.365420 0.463454 0.277160 I\n0.728819 0.909775 0.534001 I\n0.204452 0.730334 0.640647 I\n",
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{
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"created_at": "2022-09-04T14:36:02.917066Z",
"updated_at": "2022-09-04T14:36:02.917085Z",
"structure_string": "Rb12 In4 O12\n1.0\n0.000000 7.766285 -0.030276\n7.089905 0.000000 0.000000\n0.000000 -0.827064 -11.389224\nRb In O\n12 4 12\ndirect\n0.359671 0.323186 0.926512 Rb\n0.947357 0.623273 0.843932 Rb\n0.370868 0.806638 0.808343 Rb\n0.629134 0.306637 0.691657 Rb\n0.052644 0.123273 0.656067 Rb\n0.640331 0.823186 0.573488 Rb\n0.359670 0.176815 0.426512 Rb\n0.947357 0.876728 0.343933 Rb\n0.370868 0.693363 0.308343 Rb\n0.629133 0.193363 0.191657 Rb\n0.052644 0.376727 0.156068 Rb\n0.640331 0.676815 0.073488 Rb\n0.161246 0.911164 0.068646 In\n0.838755 0.411163 0.431354 In\n0.161246 0.588837 0.568646 In\n0.838755 0.088837 0.931354 In\n0.745292 0.356037 0.959038 O\n0.107570 0.044218 0.900410 O\n0.698043 0.937728 0.804969 O\n0.301958 0.437728 0.695031 O\n0.892431 0.544218 0.599590 O\n0.254709 0.856037 0.540962 O\n0.745292 0.143963 0.459038 O\n0.107570 0.455782 0.400410 O\n0.698043 0.562273 0.304969 O\n0.301958 0.062272 0.195031 O\n0.892431 0.955783 0.099590 O\n0.254709 0.643964 0.040962 O\n",
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{
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"updated_at": "2022-09-04T14:36:36.408295Z",
"structure_string": "Fe1 Cu1 Rh2\n1.0\n-7.757886 0.000000 -4.479018\n-8.188188 0.003340 5.224323\n-5.316932 8.124477 0.251163\nFe Cu Rh\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Fe\n0.500000 0.000000 -0.000000 Cu\n0.767895 0.000000 -0.000000 Rh\n0.232106 0.000000 -0.000000 Rh\n",
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{
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