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{
"id": "jvasp-54838",
"created_at": "2022-09-04T14:37:43.846302Z",
"updated_at": "2022-09-04T14:37:43.846321Z",
"structure_string": "Sr6 Ga6 N10\n1.0\n5.992450 0.017825 -0.006112\n-0.667785 7.193823 0.006614\n-2.083257 -2.952078 7.952091\nSr Ga N\n6 6 10\ndirect\n0.668093 0.862946 0.873061 Sr\n0.331907 0.137054 0.126938 Sr\n0.183157 0.591191 0.392169 Sr\n0.655501 0.653893 0.201394 Sr\n0.344499 0.346107 0.798605 Sr\n0.816844 0.408809 0.607831 Sr\n0.124726 0.876828 0.716951 Ga\n0.875275 0.123172 0.283049 Ga\n0.908041 0.315486 0.972715 Ga\n0.289840 0.046712 0.432874 Ga\n0.710160 0.953288 0.567125 Ga\n0.091959 0.684514 0.027285 Ga\n0.234994 0.472106 0.095515 N\n0.611487 0.052113 0.380019 N\n0.739102 0.225063 0.107859 N\n0.042834 0.891003 0.223241 N\n0.159173 0.289943 0.474832 N\n0.957167 0.108997 0.776758 N\n0.260899 0.774937 0.892141 N\n0.388514 0.947886 0.619981 N\n0.765006 0.527894 0.904485 N\n0.840828 0.710057 0.525168 N\n",
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{
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"structure_string": "Ta4 Cr8\n1.0\n2.440865 -4.227701 0.000000\n2.440865 4.227701 -0.000000\n0.000000 -0.000000 8.029333\nTa Cr\n4 8\ndirect\n0.333332 0.666666 0.560051 Ta\n0.666666 0.333332 0.060051 Ta\n0.666666 0.333332 0.439948 Ta\n0.333332 0.666666 0.939948 Ta\n0.169869 0.830130 0.250000 Cr\n0.169869 0.339739 0.250000 Cr\n0.339739 0.169869 0.750000 Cr\n0.830130 0.169869 0.750000 Cr\n0.000000 0.000000 0.000000 Cr\n0.660259 0.830129 0.250000 Cr\n0.830129 0.660259 0.750000 Cr\n0.000000 0.000000 0.500000 Cr\n",
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{
"id": "jvasp-54835",
"created_at": "2022-09-04T14:37:41.361933Z",
"updated_at": "2022-09-04T14:37:41.361952Z",
"structure_string": "Cd2 Bi2 Se4 I2\n1.0\n4.245405 -0.000000 0.000000\n-2.122702 6.895957 -0.138236\n0.000000 -0.050097 10.211763\nCd Bi Se I\n2 2 4 2\ndirect\n-0.000000 -0.000000 0.500000 Cd\n0.000000 0.000000 0.000000 Cd\n0.282865 0.565731 0.688425 Bi\n0.717134 0.434269 0.311574 Bi\n0.357211 0.714422 0.440223 Se\n0.642788 0.285578 0.559776 Se\n0.919866 0.839733 0.741681 Se\n0.080133 0.160267 0.258318 Se\n0.640328 0.280656 0.925123 I\n0.359671 0.719344 0.074876 I\n",
"nsites": 10,
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"elements": [
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"density": 6.7349551383276705,
"density_atomic": 0.03345247945200673,
"volume": 298.93150414595425,
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"formula_full": "Cd2 Bi2 Se4 I2",
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"spacegroup": 12
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{
"id": "jvasp-54834",
"created_at": "2022-09-04T14:37:37.230499Z",
"updated_at": "2022-09-04T14:37:37.230520Z",
"structure_string": "Hf4 Os8\n1.0\n2.610728 -4.521912 -0.000000\n2.610728 4.521912 0.000000\n0.000000 0.000000 8.572655\nHf Os\n4 8\ndirect\n0.333333 0.666667 0.432888 Hf\n0.666667 0.333333 0.567112 Hf\n0.666667 0.333333 0.932887 Hf\n0.333333 0.666667 0.067112 Hf\n0.172746 0.345492 0.750000 Os\n0.172746 0.827254 0.750000 Os\n0.345492 0.172746 0.250000 Os\n0.827255 0.654509 0.250000 Os\n0.654509 0.827255 0.750000 Os\n0.000000 0.000000 0.000000 Os\n0.827254 0.172746 0.250000 Os\n0.000000 0.000000 0.500000 Os\n",
"nsites": 12,
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"elements": [
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"density": 18.34226543904146,
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"volume": 202.408653251847,
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"formula_full": "Hf4 Os8",
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"formula_anonymous": "AB2",
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{
"id": "jvasp-54833",
"created_at": "2022-09-04T14:37:35.699819Z",
"updated_at": "2022-09-04T14:37:35.699846Z",
"structure_string": "Dy4 Cd2 Se8\n1.0\n7.187253 -0.000000 4.149563\n2.395752 6.776208 4.149563\n0.000000 0.000000 8.299126\nDy Cd Se\n4 2 8\ndirect\n0.500000 0.500000 -0.000000 Dy\n-0.000000 0.500000 0.500000 Dy\n0.500000 0.000000 0.500000 Dy\n0.500000 0.500000 0.500000 Dy\n0.125000 0.125000 0.125000 Cd\n0.874999 0.875000 0.875000 Cd\n0.270341 0.743220 0.743220 Se\n0.256780 0.256780 0.729659 Se\n0.256780 0.729659 0.256780 Se\n0.743219 0.743220 0.743220 Se\n0.256780 0.256780 0.256780 Se\n0.743219 0.743220 0.270342 Se\n0.729658 0.256780 0.256780 Se\n0.743219 0.270342 0.743220 Se\n",
"nsites": 14,
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{
"id": "jvasp-54829",
"created_at": "2022-09-04T14:37:32.849770Z",
"updated_at": "2022-09-04T14:37:32.849780Z",
"structure_string": "Na1 Li2 N1\n1.0\n5.138069 -0.012103 0.000000\n-2.555255 4.457640 0.000000\n0.000000 0.000000 4.117642\nNa Li N\n1 2 1\ndirect\n0.500000 0.500000 0.500000 Na\n0.833244 0.166756 0.500000 Li\n0.166755 0.833244 0.500000 Li\n0.500000 0.500000 0.000000 N\n",
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"elements": [
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"volume": 94.18173695043436,
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"formula_full": "Na1 Li2 N1",
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"formula_anonymous": "ABC2",
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"spacegroup": 191
},
{
"id": "jvasp-54828",
"created_at": "2022-09-04T14:37:31.217496Z",
"updated_at": "2022-09-04T14:37:31.217513Z",
"structure_string": "Li4 Ca4 Ga4 N8\n1.0\n0.000000 5.794493 -0.005911\n6.931587 0.000000 0.000000\n0.000000 -0.001405 -5.907588\nLi Ca Ga N\n4 4 4 8\ndirect\n0.632941 0.105177 0.588925 Li\n0.367058 0.894823 0.411075 Li\n0.632942 0.394823 0.088925 Li\n0.367057 0.605177 0.911075 Li\n0.021610 0.626998 0.243159 Ca\n0.978389 0.373003 0.756841 Ca\n0.021609 0.873003 0.743159 Ca\n0.978390 0.126998 0.256841 Ca\n0.623940 0.859534 0.080070 Ga\n0.623939 0.640466 0.580070 Ga\n0.376059 0.140466 0.919930 Ga\n0.376059 0.359534 0.419930 Ga\n0.259954 0.135627 0.595658 N\n0.740044 0.635627 0.904342 N\n0.722842 0.111994 0.928265 N\n0.740045 0.864374 0.404342 N\n0.722842 0.388006 0.428265 N\n0.277157 0.888006 0.071735 N\n0.277157 0.611994 0.571735 N\n0.259954 0.364374 0.095658 N\n",
"nsites": 20,
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"formula_full": "Li4 Ca4 Ga4 N8",
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{
"id": "jvasp-54823",
"created_at": "2022-09-04T14:37:32.356853Z",
"updated_at": "2022-09-04T14:37:32.356875Z",
"structure_string": "B10 W4\n1.0\n1.547161 -2.679762 -0.000000\n1.547161 2.679762 0.000000\n0.000000 -0.000000 14.395001\nB W\n10 4\ndirect\n0.333333 0.666666 0.973192 B\n0.666666 0.333333 0.473192 B\n0.000000 0.000000 0.000000 B\n0.333333 0.666666 0.526808 B\n0.000000 0.000000 0.250000 B\n0.666666 0.333333 0.250000 B\n0.666666 0.333333 0.026808 B\n0.333333 0.666666 0.750000 B\n0.000000 0.000000 0.750000 B\n0.000000 0.000000 0.500000 B\n0.666666 0.333333 0.865338 W\n0.333333 0.666666 0.134662 W\n0.333333 0.666666 0.365338 W\n0.666666 0.333333 0.634662 W\n",
"nsites": 14,
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"formula_full": "B10 W4",
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{
"id": "jvasp-54821",
"created_at": "2022-09-04T14:37:31.205093Z",
"updated_at": "2022-09-04T14:37:31.205112Z",
"structure_string": "Li2 I2\n1.0\n2.246625 -3.891267 0.000000\n2.246625 3.891267 0.000000\n0.000000 -0.000000 7.314859\nLi I\n2 2\ndirect\n0.333332 0.666666 0.999414 Li\n0.666666 0.333332 0.499413 Li\n0.333332 0.666666 0.375587 I\n0.666666 0.333332 0.875587 I\n",
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{
"id": "jvasp-54820",
"created_at": "2022-09-04T14:37:31.044238Z",
"updated_at": "2022-09-04T14:37:31.044254Z",
"structure_string": "Nd2 Pt2\n1.0\n3.681133 0.000000 -1.314666\n0.000000 4.555513 0.000000\n-0.003298 -0.000000 5.801780\nNd Pt\n2 2\ndirect\n0.863025 0.250000 0.726052 Nd\n0.136974 0.749999 0.273947 Nd\n0.410140 0.749999 0.820282 Pt\n0.589859 0.250000 0.179717 Pt\n",
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{
"id": "jvasp-5482",
"created_at": "2022-09-04T14:35:42.857773Z",
"updated_at": "2022-09-04T14:35:42.857804Z",
"structure_string": "C1 S1 O1\n1.0\n3.943233 0.021983 -0.592906\n-0.691926 3.882115 -0.592906\n0.018307 0.021983 3.987518\nC S O\n1 1 1\ndirect\n0.201539 0.201539 0.201539 C\n0.468297 0.468296 0.468297 S\n-0.000037 -0.000037 -0.000037 O\n",
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{
"id": "jvasp-54819",
"created_at": "2022-09-04T14:37:29.772866Z",
"updated_at": "2022-09-04T14:37:29.772889Z",
"structure_string": "Sr2 Li6 Mn2 N6\n1.0\n5.328629 -0.000033 4.801361\n2.136658 4.881493 4.801361\n-0.000051 -0.000033 7.172681\nSr Li Mn N\n2 6 2 6\ndirect\n0.662684 0.662684 0.662683 Sr\n0.337317 0.337317 0.337316 Sr\n0.105563 0.523918 0.763394 Li\n0.763394 0.105563 0.523917 Li\n0.476082 0.236606 0.894437 Li\n0.523919 0.763394 0.105562 Li\n0.236606 0.894437 0.476081 Li\n0.894438 0.476082 0.236605 Li\n0.932557 0.932557 0.932555 Mn\n0.067444 0.067444 0.067444 Mn\n0.794626 0.382246 0.094884 N\n0.905116 0.205375 0.617753 N\n0.205375 0.617754 0.905115 N\n0.617755 0.905115 0.205374 N\n0.094885 0.794625 0.382245 N\n0.382246 0.094885 0.794625 N\n",
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"volume": 186.57558332535746,
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"formula_full": "Sr2 Li6 Mn2 N6",
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}
]
}