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{
"id": "jvasp-57459",
"created_at": "2022-09-04T14:38:35.722855Z",
"updated_at": "2022-09-04T14:38:35.722886Z",
"structure_string": "Cd4 Bi4 S8 Cl4\n1.0\n4.015101 0.000000 0.000000\n0.000000 9.493691 0.000000\n0.000000 0.000000 12.703806\nCd Bi S Cl\n4 4 8 4\ndirect\n0.750000 0.496537 0.738300 Cd\n0.250000 0.503462 0.261700 Cd\n0.750000 0.996537 0.761700 Cd\n0.250000 0.003463 0.238300 Cd\n0.250000 0.300467 0.976289 Bi\n0.250000 0.800467 0.523712 Bi\n0.750000 0.199533 0.476289 Bi\n0.750000 0.699533 0.023712 Bi\n0.250000 0.748080 0.167928 S\n0.250000 0.553929 0.889103 S\n0.750000 0.446070 0.110897 S\n0.750000 0.751920 0.667928 S\n0.250000 0.248080 0.332073 S\n0.750000 0.946070 0.389103 S\n0.750000 0.251920 0.832073 S\n0.250000 0.053930 0.610897 S\n0.250000 0.427548 0.604142 Cl\n0.750000 0.572452 0.395858 Cl\n0.750000 0.072452 0.104142 Cl\n0.250000 0.927548 0.895859 Cl\n",
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{
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"updated_at": "2022-09-04T14:38:35.723447Z",
"structure_string": "K2 Br2 F8\n1.0\n5.540860 -0.000000 -2.691991\n-1.307886 5.384289 -2.691991\n0.015022 0.019108 7.079225\nK Br F\n2 2 8\ndirect\n0.250000 0.250000 0.500000 K\n0.749999 0.750000 0.500000 K\n-0.000000 0.500000 -0.000000 Br\n0.500000 0.000000 0.000000 Br\n0.965160 0.465160 0.246044 F\n0.719116 0.219116 0.753956 F\n0.034839 0.534840 0.753956 F\n0.219116 0.034840 0.753956 F\n0.280883 0.780884 0.246044 F\n0.465160 0.280884 0.246044 F\n0.780883 0.965161 0.246044 F\n0.534839 0.719116 0.753956 F\n",
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{
"id": "jvasp-36937",
"created_at": "2022-09-04T14:38:35.723452Z",
"updated_at": "2022-09-04T14:38:35.723477Z",
"structure_string": "Ba4 Zr4 Se12\n1.0\n4.057031 0.000000 0.000000\n0.000000 9.096798 0.000000\n0.000000 0.000000 15.056458\nBa Zr Se\n4 4 12\ndirect\n0.750000 0.068130 0.325985 Ba\n0.250000 0.931871 0.674016 Ba\n0.750000 0.568130 0.174016 Ba\n0.250000 0.431871 0.825985 Ba\n0.250000 0.163546 0.059831 Zr\n0.750000 0.836454 0.940169 Zr\n0.250000 0.663546 0.440169 Zr\n0.750000 0.336454 0.559831 Zr\n0.750000 0.712290 0.785771 Se\n0.250000 0.287710 0.214229 Se\n0.750000 0.473815 0.393853 Se\n0.250000 0.526185 0.606147 Se\n0.750000 0.973815 0.106147 Se\n0.250000 0.667700 0.005106 Se\n0.250000 0.167700 0.494894 Se\n0.750000 0.832300 0.505106 Se\n0.250000 0.787711 0.285771 Se\n0.750000 0.332300 0.994895 Se\n0.250000 0.026185 0.893853 Se\n0.750000 0.212290 0.714229 Se\n",
"nsites": 20,
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{
"id": "jvasp-21780",
"created_at": "2022-09-04T14:38:35.728872Z",
"updated_at": "2022-09-04T14:38:35.728903Z",
"structure_string": "Dy4 B4 O12\n1.0\n6.129556 -0.060506 -0.101793\n-1.924583 6.094596 0.003779\n-1.961805 -0.887005 6.014136\nDy B O\n4 4 12\ndirect\n0.558134 0.273177 0.848121 Dy\n0.441866 0.726823 0.151881 Dy\n0.938565 0.819050 0.719540 Dy\n0.061436 0.180950 0.280461 Dy\n0.990389 0.281509 0.769248 B\n0.009612 0.718491 0.230753 B\n0.474300 0.760989 0.710635 B\n0.525701 0.239010 0.289366 B\n0.871503 0.128421 0.883613 O\n0.128498 0.871578 0.116388 O\n0.347599 0.877457 0.780936 O\n0.652402 0.122543 0.219065 O\n0.120685 0.204529 0.661387 O\n0.589204 0.644936 0.866510 O\n0.528686 0.770839 0.520014 O\n0.471314 0.229161 0.479987 O\n0.041648 0.518301 0.232927 O\n0.410796 0.355064 0.133491 O\n0.879316 0.795470 0.338615 O\n0.958353 0.481699 0.767074 O\n",
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{
"id": "jvasp-119155",
"created_at": "2022-09-04T14:38:35.732918Z",
"updated_at": "2022-09-04T14:38:35.732936Z",
"structure_string": "Nd10 Si3 Ge3\n1.0\n8.796014 0.000000 0.000000\n-4.398007 7.617572 0.000000\n-0.000000 -0.000000 6.674343\nNd Si Ge\n10 3 3\ndirect\n0.666666 0.333333 0.752700 Nd\n0.333333 0.666667 0.752700 Nd\n0.333333 0.666667 0.247300 Nd\n0.666666 0.333333 0.247300 Nd\n0.752647 0.752647 0.500000 Nd\n0.247352 -0.000000 0.500000 Nd\n-0.000000 0.247352 0.500000 Nd\n0.246035 0.246035 -0.000000 Nd\n0.753965 -0.000000 -0.000000 Nd\n-0.000000 0.753965 -0.000000 Nd\n0.607731 0.607732 -0.000000 Si\n0.392268 -0.000000 -0.000000 Si\n-0.000000 0.392268 -0.000000 Si\n0.391918 0.391918 0.500000 Ge\n0.608081 -0.000000 0.500000 Ge\n-0.000000 0.608082 0.500000 Ge\n",
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"volume": 447.20948016434096,
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"formula_full": "Nd10 Si3 Ge3",
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"formula_anonymous": "A3B3C10",
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{
"id": "jvasp-19164",
"created_at": "2022-09-04T14:38:35.736143Z",
"updated_at": "2022-09-04T14:38:35.736157Z",
"structure_string": "Ta4 Zn4 Sn2 O16\n1.0\n5.433725 0.001451 -0.040195\n-0.002083 5.938185 -0.001524\n-0.344574 -2.967852 10.450940\nTa Zn Sn O\n4 4 2 16\ndirect\n0.711971 0.283627 0.250764 Ta\n0.785683 0.032992 0.749213 Ta\n0.285689 0.716754 0.749228 Ta\n0.211975 0.967380 0.250771 Ta\n0.778517 0.431089 0.561044 Zn\n0.719113 0.869962 0.438938 Zn\n0.219152 0.569310 0.438948 Zn\n0.278542 0.130432 0.561048 Zn\n0.248817 0.311184 0.000143 Sn\n0.748833 0.689165 -0.000149 Sn\n0.850143 0.547640 0.397887 O\n0.647528 0.149804 0.602095 O\n0.147519 0.452752 0.602095 O\n0.350130 0.850600 0.397897 O\n0.085418 0.931243 0.637942 O\n0.412275 0.293197 0.362084 O\n0.112611 0.682899 0.139163 O\n0.981813 0.833838 0.839261 O\n0.885051 0.317457 0.860835 O\n0.612526 0.456383 0.139146 O\n0.515755 0.994492 0.160701 O\n0.912240 0.069156 0.362047 O\n0.481908 0.005874 0.839291 O\n0.015835 0.166506 0.160713 O\n0.385144 0.543977 0.860835 O\n0.585374 0.707197 0.637891 O\n",
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"density": 7.2845179324729346,
"density_atomic": 0.07712665372447713,
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"formula_full": "Ta4 Zn4 Sn2 O16",
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{
"id": "jvasp-54910",
"created_at": "2022-09-04T14:38:35.744273Z",
"updated_at": "2022-09-04T14:38:35.744302Z",
"structure_string": "Yb4 Br8\n1.0\n6.503057 -0.000000 0.000000\n0.000000 7.179854 0.000000\n0.000000 0.000000 8.036257\nYb Br\n4 8\ndirect\n0.000000 0.250000 0.645001 Yb\n0.500000 0.250000 0.145001 Yb\n0.500000 0.750000 0.854999 Yb\n0.000000 0.750000 0.354999 Yb\n0.754494 0.922158 0.609840 Br\n0.254494 0.077842 0.890161 Br\n0.745507 0.922158 0.109840 Br\n0.245506 0.577842 0.609840 Br\n0.245506 0.077842 0.390160 Br\n0.754494 0.422158 0.390160 Br\n0.745507 0.422158 0.890161 Br\n0.254494 0.577842 0.109840 Br\n",
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"volume": 375.22087408966854,
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"formula_full": "Yb4 Br8",
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{
"id": "jvasp-56870",
"created_at": "2022-09-04T14:38:35.746483Z",
"updated_at": "2022-09-04T14:38:35.746514Z",
"structure_string": "Ti1 Ga1 Rh1\n1.0\n3.606699 -0.000000 2.082329\n1.202233 3.400428 2.082329\n0.000000 0.000000 4.164657\nTi Ga Rh\n1 1 1\ndirect\n0.500000 0.500000 0.500001 Ti\n0.250000 0.250000 0.250000 Ga\n0.000000 0.000000 0.000000 Rh\n",
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{
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"created_at": "2022-09-04T14:38:35.752538Z",
"updated_at": "2022-09-04T14:38:35.752566Z",
"structure_string": "Mn4 Si4 Ir4\n1.0\n3.943793 0.000000 0.000000\n0.000000 5.117155 0.000000\n0.000000 0.000000 7.486305\nMn Si Ir\n4 4 4\ndirect\n0.749999 0.970781 0.221193 Mn\n0.250000 0.029218 0.778807 Mn\n0.749999 0.470782 0.278807 Mn\n0.250000 0.529217 0.721192 Mn\n0.250000 0.186238 0.109003 Si\n0.749999 0.813761 0.890997 Si\n0.250000 0.686237 0.390997 Si\n0.749999 0.313762 0.609002 Si\n0.250000 0.682060 0.060000 Ir\n0.749999 0.317939 0.940000 Ir\n0.250000 0.182061 0.440000 Ir\n0.749999 0.817938 0.559999 Ir\n",
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{
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"structure_string": "Ag4 Cl4 O12\n1.0\n6.798989 0.401332 -2.342451\n-3.464397 5.797489 -2.502294\n0.239823 -0.401333 7.187199\nAg Cl O\n4 4 12\ndirect\n0.500000 0.750000 0.250000 Ag\n-0.000000 0.302835 0.302835 Ag\n-0.000000 0.697166 0.697166 Ag\n0.500000 0.250000 0.750000 Ag\n0.454833 0.260491 0.194342 Cl\n0.933850 0.194342 0.739509 Cl\n0.066149 0.805659 0.260492 Cl\n0.545167 0.739509 0.805659 Cl\n0.662126 0.905433 0.066889 O\n0.161456 0.066889 0.404762 O\n0.318522 0.574130 0.744393 O\n0.662126 0.595239 0.756696 O\n0.161455 0.756695 0.094568 O\n0.838544 0.933112 0.595239 O\n0.337873 0.094568 0.933112 O\n0.681477 0.425870 0.255608 O\n0.829736 0.255608 0.574130 O\n0.170263 0.744393 0.425871 O\n0.337873 0.404762 0.243305 O\n0.838544 0.243305 0.905433 O\n",
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{
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"formula_full": "Dy10 Sn6",
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{
"id": "jvasp-57689",
"created_at": "2022-09-04T14:38:35.760434Z",
"updated_at": "2022-09-04T14:38:35.760453Z",
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}