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{
"id": "jvasp-12875",
"created_at": "2022-09-04T14:38:16.021822Z",
"updated_at": "2022-09-04T14:38:16.021846Z",
"structure_string": "Rb4 B4 S12\n1.0\n5.799129 -0.018156 0.000000\n-2.031175 6.729397 0.000000\n0.000000 0.000000 11.837633\nRb B S\n4 4 12\ndirect\n0.207315 0.258816 0.421094 Rb\n0.792684 0.741184 0.578906 Rb\n0.707315 0.258816 0.078906 Rb\n0.292684 0.741184 0.921094 Rb\n0.666377 0.703319 0.230466 B\n0.166377 0.703319 0.269534 B\n0.333623 0.296681 0.769534 B\n0.833623 0.296681 0.730466 B\n0.335813 0.063552 0.678669 S\n0.835813 0.063552 0.821330 S\n0.664186 0.936448 0.321330 S\n0.337148 0.805031 0.405225 S\n0.662851 0.194969 0.594774 S\n0.837148 0.805031 0.094774 S\n0.346617 0.547194 0.193549 S\n0.153383 0.452806 0.693549 S\n0.653383 0.452806 0.806451 S\n0.846617 0.547194 0.306451 S\n0.164186 0.936448 0.178669 S\n0.162851 0.194969 0.905225 S\n",
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{
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"updated_at": "2022-09-04T14:38:10.120214Z",
"structure_string": "Na6 In2 Cl12\n1.0\n3.438068 -5.954909 0.000000\n3.438068 5.954909 0.000000\n-0.000000 0.000000 12.414931\nNa In Cl\n6 2 12\ndirect\n0.333333 0.666667 0.038671 Na\n0.333333 0.666667 0.461329 Na\n0.000000 0.000000 0.750000 Na\n0.000000 0.000000 0.250000 Na\n0.666667 0.333333 0.961329 Na\n0.666667 0.333333 0.538671 Na\n0.333333 0.666667 0.750000 In\n0.666667 0.333333 0.250000 In\n0.955862 0.640397 0.372577 Cl\n0.359603 0.315466 0.372577 Cl\n0.044138 0.684534 0.872577 Cl\n0.315466 0.359603 0.872577 Cl\n0.640397 0.955862 0.872577 Cl\n0.955862 0.315466 0.127422 Cl\n0.640397 0.684534 0.627422 Cl\n0.684534 0.640397 0.127422 Cl\n0.044138 0.359603 0.627422 Cl\n0.359603 0.044138 0.127422 Cl\n0.315466 0.955862 0.627422 Cl\n0.684534 0.044138 0.372577 Cl\n",
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{
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"updated_at": "2022-09-04T14:38:10.056001Z",
"structure_string": "Sr6 W2 O12\n1.0\n4.940605 2.852459 3.841140\n-4.940605 2.852460 3.841140\n-0.000000 -5.704920 3.841140\nSr W O\n6 2 12\ndirect\n0.436084 0.935056 0.746367 Sr\n0.253633 0.563916 0.064944 Sr\n0.064944 0.253634 0.563915 Sr\n0.935056 0.746367 0.436085 Sr\n0.746367 0.436085 0.935056 Sr\n0.563916 0.064944 0.253633 Sr\n0.500000 0.500000 0.500000 W\n0.000000 0.000000 0.000000 W\n0.770882 0.453375 0.573544 O\n0.931632 0.729469 0.058272 O\n0.426456 0.229118 0.546625 O\n0.546625 0.426456 0.229118 O\n0.453375 0.573544 0.770882 O\n0.270530 0.941728 0.068368 O\n0.068368 0.270531 0.941728 O\n0.229118 0.546625 0.426456 O\n0.729470 0.058272 0.931632 O\n0.058272 0.931632 0.729469 O\n0.573544 0.770882 0.453375 O\n0.941728 0.068368 0.270531 O\n",
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{
"id": "jvasp-59030",
"created_at": "2022-09-04T14:38:16.261554Z",
"updated_at": "2022-09-04T14:38:16.261580Z",
"structure_string": "K4 Mn4 Br12\n1.0\n4.044341 0.000000 0.000000\n0.000000 9.241954 0.000000\n0.000000 0.000000 15.021558\nK Mn Br\n4 4 12\ndirect\n0.750000 0.566015 0.825036 K\n0.250000 0.433985 0.174964 K\n0.750000 0.066015 0.674965 K\n0.250000 0.933985 0.325036 K\n0.250000 0.165097 0.943918 Mn\n0.750000 0.834903 0.056082 Mn\n0.250000 0.665097 0.556082 Mn\n0.750000 0.334903 0.443918 Mn\n0.750000 0.977186 0.897079 Br\n0.250000 0.022814 0.102921 Br\n0.250000 0.169657 0.507280 Br\n0.750000 0.830342 0.492720 Br\n0.250000 0.669657 0.992720 Br\n0.750000 0.715804 0.210257 Br\n0.750000 0.215804 0.289743 Br\n0.250000 0.784196 0.710257 Br\n0.250000 0.522814 0.397079 Br\n0.250000 0.284196 0.789743 Br\n0.750000 0.330343 0.007280 Br\n0.750000 0.477186 0.602921 Br\n",
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{
"id": "jvasp-25879",
"created_at": "2022-09-04T14:38:16.387967Z",
"updated_at": "2022-09-04T14:38:16.387995Z",
"structure_string": "Ag2 Bi2 P4 S12\n1.0\n6.454761 0.013207 -0.019569\n-0.696243 7.181981 0.169374\n-0.191704 -0.627203 9.647036\nAg Bi P S\n2 2 4 12\ndirect\n0.060317 0.019130 0.301262 Ag\n0.939684 0.980871 0.698738 Ag\n0.534543 0.373756 0.770333 Bi\n0.465458 0.626245 0.229666 Bi\n0.942003 0.610414 0.070540 P\n0.437633 0.880512 0.565282 P\n0.562367 0.119489 0.434718 P\n0.057998 0.389587 0.929460 P\n0.314906 0.301203 0.028205 S\n0.873715 0.489409 0.250814 S\n0.333521 0.002517 0.745461 S\n0.820539 0.178322 0.920829 S\n0.666480 0.997484 0.254539 S\n0.679079 0.722375 0.591963 S\n0.320922 0.277626 0.408037 S\n0.126286 0.510592 0.749186 S\n0.801668 0.258366 0.548736 S\n0.179462 0.821679 0.079171 S\n0.685095 0.698798 0.971795 S\n0.198332 0.741635 0.451263 S\n",
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{
"id": "jvasp-19374",
"created_at": "2022-09-04T14:38:16.468719Z",
"updated_at": "2022-09-04T14:38:16.468745Z",
"structure_string": "Ca4 Ni4 O12\n1.0\n5.256853 0.000000 0.000000\n0.000000 5.327508 0.000000\n0.000000 0.000000 7.428875\nCa Ni O\n4 4 12\ndirect\n0.988371 0.053959 0.250000 Ca\n0.488371 0.446041 0.750000 Ca\n0.511628 0.553959 0.250000 Ca\n0.011629 0.946042 0.750000 Ca\n0.500000 0.000000 0.000000 Ni\n-0.000000 0.500000 0.000000 Ni\n-0.000000 0.500000 0.500000 Ni\n0.500000 0.000000 0.500000 Ni\n0.202503 0.204995 0.959109 O\n0.702503 0.295005 0.040890 O\n0.297497 0.704995 0.959109 O\n0.797496 0.795005 0.040890 O\n0.202503 0.204995 0.540890 O\n0.418317 0.987010 0.250000 O\n0.081682 0.487009 0.250000 O\n0.581682 0.012991 0.750000 O\n0.297497 0.704995 0.540890 O\n0.918317 0.512991 0.750000 O\n0.702503 0.295005 0.459109 O\n0.797496 0.795005 0.459109 O\n",
"nsites": 20,
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"density_atomic": 0.09612957039798398,
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},
{
"id": "jvasp-32304",
"created_at": "2022-09-04T14:38:14.831965Z",
"updated_at": "2022-09-04T14:38:14.831988Z",
"structure_string": "Sc7 N1 Cl12\n1.0\n7.626196 -0.006408 -2.399118\n-3.268030 6.890493 -2.399118\n-0.004057 -0.006408 7.994663\nSc N Cl\n7 1 12\ndirect\n0.500000 0.500000 0.499999 Sc\n0.100732 0.303616 0.029778 Sc\n0.029778 0.100731 0.303616 Sc\n0.696383 0.970221 0.899267 Sc\n0.899268 0.696383 0.970221 Sc\n0.970222 0.899268 0.696382 Sc\n0.303617 0.029778 0.100731 Sc\n0.000000 0.000000 0.000000 N\n0.772819 0.312890 0.922674 Cl\n0.463708 0.384294 0.152141 Cl\n0.687110 0.077325 0.227181 Cl\n0.227181 0.687109 0.077325 Cl\n0.077325 0.227181 0.687109 Cl\n0.152142 0.463708 0.384294 Cl\n0.384294 0.152142 0.463708 Cl\n0.536291 0.615705 0.847857 Cl\n0.847858 0.536291 0.615705 Cl\n0.615705 0.847858 0.536291 Cl\n0.312890 0.922674 0.772818 Cl\n0.922675 0.772818 0.312890 Cl\n",
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"formula_full": "Sc7 N1 Cl12",
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{
"id": "jvasp-32794",
"created_at": "2022-09-04T14:38:04.299440Z",
"updated_at": "2022-09-04T14:38:04.299456Z",
"structure_string": "Nb4 Se4 Cl12\n1.0\n6.191459 0.000000 -0.961761\n0.000000 6.733385 0.000000\n-0.001336 0.000000 12.039999\nNb Se Cl\n4 4 12\ndirect\n0.073921 0.354599 0.145600 Nb\n0.073920 0.645402 0.645600 Nb\n0.926079 0.354599 0.354400 Nb\n0.926079 0.645402 0.854400 Nb\n0.174201 0.068743 0.302246 Se\n0.825799 0.068743 0.197754 Se\n0.174201 0.931258 0.802246 Se\n0.825798 0.931258 0.697754 Se\n0.747117 0.551595 0.195334 Cl\n0.841537 0.320203 0.955385 Cl\n0.747117 0.448406 0.695334 Cl\n0.841538 0.679798 0.455385 Cl\n0.361856 0.794517 0.567029 Cl\n0.638144 0.794517 0.932972 Cl\n0.158462 0.679798 0.044615 Cl\n0.252883 0.448406 0.804666 Cl\n0.361856 0.205484 0.067029 Cl\n0.638144 0.205484 0.432972 Cl\n0.252883 0.551595 0.304666 Cl\n0.158462 0.320203 0.544615 Cl\n",
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"spacegroup": 13
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{
"id": "jvasp-35264",
"created_at": "2022-09-04T14:38:05.084123Z",
"updated_at": "2022-09-04T14:38:05.084136Z",
"structure_string": "Na8 Zn4 Se8\n1.0\n0.000000 7.172996 0.014435\n7.373204 0.000000 0.000000\n0.000000 -0.483773 -9.114575\nNa Zn Se\n8 4 8\ndirect\n0.539996 0.684064 0.676740 Na\n0.960005 0.184065 0.323261 Na\n0.460005 0.315935 0.323261 Na\n0.039996 0.815935 0.676740 Na\n0.512210 0.765013 0.058480 Na\n0.987792 0.265013 0.941522 Na\n0.487792 0.234986 0.941521 Na\n0.012209 0.734986 0.058480 Na\n0.342341 0.906792 0.371674 Zn\n0.157660 0.406793 0.628327 Zn\n0.657660 0.093207 0.628327 Zn\n0.842341 0.593207 0.371674 Zn\n0.299886 0.101732 0.599235 Se\n0.200114 0.601731 0.400766 Se\n0.700115 0.898268 0.400766 Se\n0.799887 0.398268 0.599235 Se\n0.244544 0.046500 0.140631 Se\n0.255457 0.546499 0.859370 Se\n0.755458 0.953500 0.859370 Se\n0.744544 0.453500 0.140631 Se\n",
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{
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"created_at": "2022-09-04T14:38:10.128943Z",
"updated_at": "2022-09-04T14:38:10.128960Z",
"structure_string": "Li4 Ti2 Co4 O10\n1.0\n5.050100 -0.005592 0.000516\n1.598163 4.756393 -0.000661\n2.523991 -0.001122 7.335378\nLi Ti Co O\n4 2 4 10\ndirect\n0.199538 0.999958 0.600904 Li\n0.002604 0.000072 0.994680 Li\n0.700477 0.499945 0.599099 Li\n0.897336 0.500000 0.205322 Li\n0.098853 0.499949 0.802340 Ti\n0.801160 0.999975 0.397660 Ti\n0.302261 0.499955 0.395462 Co\n0.497565 0.500181 0.004789 Co\n0.597717 0.999882 0.804537 Co\n0.402394 0.000019 0.195211 Co\n0.950030 0.749960 0.599983 O\n0.042444 0.235582 0.398382 O\n0.340807 0.735632 0.801602 O\n0.450012 0.249960 0.600018 O\n0.133846 0.757025 0.207186 O\n0.241097 0.257026 0.992813 O\n0.857524 0.264431 0.801644 O\n0.658946 0.243034 0.207181 O\n0.559187 0.764380 0.398373 O\n0.766189 0.743035 0.992819 O\n",
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"formula_full": "Li4 Ti2 Co4 O10",
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{
"id": "jvasp-35177",
"created_at": "2022-09-04T14:38:05.209813Z",
"updated_at": "2022-09-04T14:38:05.209839Z",
"structure_string": "Mg2 S4 O14\n1.0\n4.912412 -0.049795 0.004557\n-2.008967 6.717178 -0.011725\n-0.653514 -0.575053 8.148945\nMg S O\n2 4 14\ndirect\n-0.000000 0.500000 0.000000 Mg\n0.500000 -0.000000 0.500000 Mg\n0.521834 0.652639 0.770617 S\n0.478166 0.347361 0.229384 S\n0.134156 0.254099 0.685742 S\n0.865844 0.745901 0.314258 S\n0.654454 0.851506 0.321462 O\n0.345546 0.148494 0.678539 O\n0.095522 0.804964 0.444800 O\n0.904478 0.195036 0.555200 O\n0.706435 0.514969 0.361118 O\n0.293565 0.485031 0.638882 O\n0.635670 0.321557 0.091900 O\n0.599124 0.822466 0.672813 O\n0.046879 0.270819 0.849394 O\n0.364329 0.678443 0.908101 O\n0.244190 0.428115 0.189457 O\n0.755809 0.571886 0.810544 O\n0.400875 0.177534 0.327188 O\n0.953121 0.729181 0.150606 O\n",
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},
{
"id": "jvasp-44525",
"created_at": "2022-09-04T14:38:09.964189Z",
"updated_at": "2022-09-04T14:38:09.964204Z",
"structure_string": "Li4 Fe3 Te1 O12\n1.0\n0.000000 4.788770 -0.012102\n8.097378 0.000000 0.000000\n0.000000 -0.075143 -4.917047\nLi Fe Te O\n4 3 1 12\ndirect\n0.000000 0.698616 0.000000 Li\n0.500000 0.802056 -0.000000 Li\n0.000000 0.333537 0.500000 Li\n0.500000 0.204215 0.500000 Li\n0.500000 0.424671 -0.000000 Fe\n0.000000 0.897085 0.500000 Fe\n0.500000 0.606791 0.500000 Fe\n0.000000 0.101778 0.000000 Te\n0.794054 0.918051 0.175583 O\n0.304945 0.433983 0.313486 O\n0.207480 0.079392 0.336285 O\n0.246664 0.755231 0.357349 O\n0.753336 0.755231 0.642651 O\n0.301205 0.587089 0.817630 O\n0.695055 0.433983 0.686514 O\n0.205947 0.918051 0.824417 O\n0.698796 0.587089 0.182370 O\n0.252030 0.262420 0.839046 O\n0.792520 0.079392 0.663715 O\n0.747971 0.262420 0.160954 O\n",
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"formula_full": "Li4 Fe3 Te1 O12",
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}
]
}