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{
"id": "jvasp-46765",
"created_at": "2022-09-04T14:38:01.939550Z",
"updated_at": "2022-09-04T14:38:01.939558Z",
"structure_string": "Li4 Si2 Ni2 O8\n1.0\n5.145032 -0.005501 0.014010\n-0.311809 5.387909 -0.109227\n-0.007294 -0.149035 6.134405\nLi Si Ni O\n4 2 2 8\ndirect\n0.799584 0.828016 0.241386 Li\n0.312167 0.685130 0.487443 Li\n0.691003 0.319843 0.009995 Li\n0.200107 0.170488 0.756348 Li\n0.820586 0.824815 0.742331 Si\n0.179250 0.174911 0.255981 Si\n0.307023 0.662502 0.990666 Ni\n0.687456 0.332182 0.521320 Ni\n0.210371 0.870617 0.241753 O\n0.141311 0.806416 0.745560 O\n0.695012 0.684538 0.956187 O\n0.693079 0.700138 0.513697 O\n0.312786 0.304180 0.041418 O\n0.303450 0.309833 0.482379 O\n0.860018 0.202495 0.259314 O\n0.784000 0.126703 0.754223 O\n",
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{
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"updated_at": "2022-09-04T14:38:01.870395Z",
"structure_string": "Mn2 Sb2 S4 Br2\n1.0\n3.639706 -0.000000 -0.000000\n-1.819853 6.261624 -0.161851\n-0.000000 -0.095943 8.856506\nMn Sb S Br\n2 2 4 2\ndirect\n0.000000 0.000000 0.000000 Mn\n0.000000 0.000000 0.500000 Mn\n0.707434 0.414867 0.789683 Sb\n0.292567 0.585132 0.210318 Sb\n0.620922 0.241844 0.045274 S\n0.057620 0.115240 0.750324 S\n0.379080 0.758156 0.954727 S\n0.942382 0.884760 0.249676 S\n0.371924 0.743846 0.550691 Br\n0.628078 0.256154 0.449309 Br\n",
"nsites": 10,
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],
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"formula_full": "Mn2 Sb2 S4 Br2",
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{
"id": "jvasp-40661",
"created_at": "2022-09-04T14:38:01.022850Z",
"updated_at": "2022-09-04T14:38:01.022877Z",
"structure_string": "Li4 Mn4 P4 O16\n1.0\n5.068959 0.000000 0.000000\n0.000000 6.808511 0.000000\n0.000000 0.000000 10.228955\nLi Mn P O\n4 4 4 16\ndirect\n0.753626 0.504170 0.155313 Li\n0.253626 0.004170 0.344688 Li\n0.753626 0.995830 0.655313 Li\n0.253626 0.495830 0.844688 Li\n0.756196 0.004424 0.155944 Mn\n0.256196 0.504424 0.344056 Mn\n0.756196 0.495576 0.655944 Mn\n0.256196 0.995576 0.844056 Mn\n0.749806 0.742792 0.905964 P\n0.249805 0.242792 0.594036 P\n0.749806 0.757208 0.405964 P\n0.249805 0.257208 0.094036 P\n0.878114 0.559037 0.843346 O\n0.860225 0.932681 0.840392 O\n0.360225 0.432681 0.659609 O\n0.378114 0.059037 0.656654 O\n0.947549 0.237482 0.620144 O\n0.808635 0.752821 0.554590 O\n0.308635 0.247179 0.445410 O\n0.947549 0.262518 0.120144 O\n0.878114 0.940963 0.343346 O\n0.860225 0.567319 0.340392 O\n0.360225 0.067319 0.159609 O\n0.378114 0.440963 0.156654 O\n0.447549 0.737482 0.879857 O\n0.808635 0.747179 0.054590 O\n0.447549 0.762518 0.379857 O\n0.308635 0.252821 0.945410 O\n",
"nsites": 28,
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"density_atomic": 0.07931509365543579,
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{
"id": "jvasp-29467",
"created_at": "2022-09-04T14:37:56.848001Z",
"updated_at": "2022-09-04T14:37:56.848031Z",
"structure_string": "Bi4 Te4 I4 O12\n1.0\n7.100558 0.000000 0.000000\n0.000000 7.809202 -2.012399\n0.000000 0.032756 9.144858\nBi Te I O\n4 4 4 12\ndirect\n0.133426 0.672709 0.405855 Bi\n0.866574 0.327291 0.594146 Bi\n0.633426 0.827291 0.594145 Bi\n0.366574 0.172710 0.405855 Bi\n0.820261 0.993294 0.261175 Te\n0.179739 0.006706 0.738825 Te\n0.679739 0.493295 0.261175 Te\n0.320261 0.506706 0.738825 Te\n0.659710 0.145802 0.869862 I\n0.840291 0.645802 0.869862 I\n0.340290 0.854198 0.130138 I\n0.159710 0.354198 0.130138 I\n0.879710 0.770782 0.287116 O\n0.506705 0.375001 0.611034 O\n0.651691 0.031341 0.434773 O\n0.151690 0.468660 0.565227 O\n0.120290 0.229218 0.712885 O\n0.006705 0.124999 0.388967 O\n0.348310 0.968659 0.565227 O\n0.993296 0.875001 0.611034 O\n0.620290 0.270782 0.287116 O\n0.848310 0.531341 0.434773 O\n0.493296 0.624999 0.388966 O\n0.379710 0.729218 0.712884 O\n",
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],
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"formula_full": "Bi4 Te4 I4 O12",
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},
{
"id": "jvasp-40542",
"created_at": "2022-09-04T14:37:47.390705Z",
"updated_at": "2022-09-04T14:37:47.390727Z",
"structure_string": "Rb2 Ta2 Ge2 S10\n1.0\n7.034489 0.024766 -0.045809\n1.795286 6.777878 -0.109876\n1.810642 2.664292 8.394517\nRb Ta Ge S\n2 2 2 10\ndirect\n0.582628 0.374073 0.314598 Rb\n0.417372 0.625928 0.685402 Rb\n0.239589 0.031811 0.005318 Ta\n0.760411 0.968190 0.994682 Ta\n0.979119 0.709439 0.378544 Ge\n0.020882 0.290562 0.621456 Ge\n0.070215 0.748192 -0.000127 S\n0.435681 0.238593 0.029582 S\n0.690335 0.882276 0.293755 S\n0.226976 0.873938 0.298841 S\n0.066183 0.384423 0.351098 S\n0.933817 0.615577 0.648902 S\n0.773024 0.126063 0.701159 S\n0.309665 0.117725 0.706245 S\n0.564319 0.761408 0.970418 S\n0.929786 0.251809 0.000127 S\n",
"nsites": 16,
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],
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"density_atomic": 0.03977471601071274,
"volume": 402.2655999779014,
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"formula_full": "Rb2 Ta2 Ge2 S10",
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},
{
"id": "jvasp-57083",
"created_at": "2022-09-04T14:37:46.795543Z",
"updated_at": "2022-09-04T14:37:46.795565Z",
"structure_string": "K1 Tl2 Mo1 F6\n1.0\n5.561330 -0.000000 3.210836\n1.853777 5.243273 3.210836\n-0.000000 -0.000000 6.421671\nK Tl Mo F\n1 2 1 6\ndirect\n0.500000 0.500000 0.500001 K\n0.750001 0.750000 0.750001 Tl\n0.250000 0.250000 0.250000 Tl\n0.000000 0.000000 0.000000 Mo\n0.226436 0.773565 0.773565 F\n0.226436 0.773565 0.226435 F\n0.773565 0.226435 0.773566 F\n0.226435 0.226435 0.773565 F\n0.773565 0.226435 0.226436 F\n0.773566 0.773565 0.226436 F\n",
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],
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"volume": 187.2531742443025,
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"formula_full": "K1 Tl2 Mo1 F6",
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"formula_anonymous": "ABC2D6",
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},
{
"id": "jvasp-109007",
"created_at": "2022-09-04T14:37:46.786721Z",
"updated_at": "2022-09-04T14:37:46.786743Z",
"structure_string": "K1 Y1 Cu2 O4\n1.0\n3.868882 -0.000000 0.000000\n0.000000 3.868882 0.000000\n-0.000000 -0.000000 6.999335\nK Y Cu O\n1 1 2 4\ndirect\n0.000000 0.000000 0.000000 K\n0.000000 0.000000 0.500000 Y\n0.500000 0.500000 0.727838 Cu\n0.500000 0.500000 0.272162 Cu\n-0.000000 0.500000 0.703193 O\n0.500000 0.000000 0.703193 O\n-0.000000 0.500000 0.296806 O\n0.500000 0.000000 0.296806 O\n",
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{
"id": "jvasp-33746",
"created_at": "2022-09-04T14:38:02.021130Z",
"updated_at": "2022-09-04T14:38:02.021141Z",
"structure_string": "Ni1 H12 S1 O9\n1.0\n5.875699 -0.035684 -0.039614\n-0.589498 5.846162 -0.039614\n-0.589498 -0.647963 5.810277\nNi H S O\n1 12 1 9\ndirect\n0.006639 0.006639 0.006639 Ni\n0.802377 0.369334 0.189933 H\n0.548036 0.955653 0.024887 H\n0.641072 0.738736 0.140318 H\n0.409017 0.277946 0.072084 H\n0.369333 0.189933 0.802378 H\n0.738735 0.140318 0.641073 H\n0.189932 0.802378 0.369334 H\n0.140317 0.641072 0.738736 H\n0.072084 0.409017 0.277946 H\n0.024886 0.548037 0.955653 H\n0.955653 0.024887 0.548037 H\n0.277946 0.072084 0.409017 H\n0.507358 0.507359 0.507359 S\n0.891602 0.089871 0.687619 O\n0.089870 0.687619 0.891603 O\n0.141444 0.956684 0.340934 O\n0.254376 0.563526 0.484659 O\n0.340933 0.141445 0.956684 O\n0.484658 0.254377 0.563527 O\n0.563526 0.484659 0.254377 O\n0.687618 0.891603 0.089871 O\n0.956684 0.340934 0.141446 O\n",
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{
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"created_at": "2022-09-04T14:37:38.298369Z",
"updated_at": "2022-09-04T14:37:38.298387Z",
"structure_string": "Mn1 Cu2 Si1 Te4\n1.0\n6.088496 0.000000 -0.000000\n0.000000 6.088496 0.000000\n-3.044248 -3.044248 5.945847\nMn Cu Si Te\n1 2 1 4\ndirect\n0.000000 0.000000 0.000000 Mn\n0.250000 0.750000 0.500000 Cu\n0.750000 0.250000 0.500000 Cu\n0.500000 0.500000 0.000000 Si\n0.388595 0.388595 0.259553 Te\n0.870959 0.870959 0.259553 Te\n0.129042 0.611405 0.740447 Te\n0.611405 0.129042 0.740447 Te\n",
"nsites": 8,
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{
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"created_at": "2022-09-04T14:37:46.713828Z",
"updated_at": "2022-09-04T14:37:46.713846Z",
"structure_string": "K4 Sn1 Sb2 F14\n1.0\n6.714871 -0.004058 -0.019419\n-3.202407 6.730780 -0.022452\n-0.210850 -0.473142 7.588216\nK Sn Sb F\n4 1 2 14\ndirect\n0.282538 0.553201 0.145083 K\n0.851913 0.730206 0.413268 K\n0.717461 0.446799 0.854918 K\n0.148087 0.269794 0.586733 K\n0.000000 0.000000 0.000000 Sn\n0.402764 0.817168 0.688530 Sb\n0.597235 0.182832 0.311470 Sb\n0.594710 0.426306 0.181543 F\n0.405290 0.573695 0.818457 F\n0.154751 0.142404 0.229612 F\n0.080186 0.626961 0.672128 F\n0.845248 0.857596 0.770389 F\n0.052630 0.764432 0.063378 F\n0.714551 0.886792 0.122511 F\n0.947370 0.235568 0.936623 F\n0.721362 0.057083 0.509819 F\n0.429082 0.657517 0.480987 F\n0.285449 0.113208 0.877490 F\n0.919813 0.373039 0.327873 F\n0.278638 0.942917 0.490182 F\n0.570918 0.342483 0.519014 F\n",
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{
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"created_at": "2022-09-04T14:37:56.863455Z",
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"structure_string": "C2 S4 N2 F10\n1.0\n4.780462 0.102294 -0.054660\n-0.092861 7.129852 -0.873470\n-0.000816 0.068553 7.747957\nC S N F\n2 4 2 10\ndirect\n0.627875 0.484337 0.219535 C\n0.372124 0.515661 0.780466 C\n0.110628 0.193191 0.771929 S\n0.889371 0.806808 0.228071 S\n0.473850 0.323886 0.293439 S\n0.526149 0.676113 0.706562 S\n0.746903 0.603461 0.145731 N\n0.253096 0.396538 0.854269 N\n0.048149 0.712872 0.383802 F\n0.969051 -0.003546 0.697964 F\n0.842639 0.235850 0.893392 F\n0.951850 0.287127 0.616198 F\n0.259918 0.087685 0.920157 F\n0.157360 0.764148 0.106608 F\n0.740081 0.912314 0.079843 F\n0.371566 0.136971 0.643484 F\n0.030948 0.003545 0.302036 F\n0.628433 0.863028 0.356517 F\n",
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{
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"created_at": "2022-09-04T14:37:46.688136Z",
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"structure_string": "K12 V4 S8 O8\n1.0\n7.310451 0.000000 0.000000\n0.000000 9.520420 -4.319170\n0.000000 -0.054606 10.806155\nK V S O\n12 4 8 8\ndirect\n0.258340 0.054482 0.116788 K\n0.131481 0.320042 0.839947 K\n0.741659 0.945517 0.883212 K\n0.241660 0.554482 0.616788 K\n0.868519 0.679958 0.160053 K\n0.276258 0.439249 0.213058 K\n0.631481 0.179958 0.660053 K\n0.776258 0.060751 0.286942 K\n0.723742 0.560750 0.786942 K\n0.223742 0.939249 0.713058 K\n0.758340 0.445518 0.383212 K\n0.368519 0.820042 0.339947 K\n0.698211 0.338660 0.029663 V\n0.801789 0.838660 0.529663 V\n0.301789 0.661339 0.970337 V\n0.198211 0.161340 0.470337 V\n0.078549 0.767708 0.908533 S\n0.921451 0.232292 0.091468 S\n0.964000 0.307178 0.555733 S\n0.578549 0.732291 0.591468 S\n0.036000 0.692822 0.444268 S\n0.421451 0.267708 0.408532 S\n0.536000 0.807178 0.055732 S\n0.464000 0.192821 0.944268 S\n0.871169 0.979022 0.670336 O\n0.717208 0.893460 0.414040 O\n0.371169 0.520977 0.829664 O\n0.217208 0.606540 0.085960 O\n0.782792 0.393460 0.914040 O\n0.128831 0.020978 0.329664 O\n0.282792 0.106540 0.585960 O\n0.628831 0.479022 0.170336 O\n",
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}