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{
"id": "jvasp-31671",
"created_at": "2022-09-04T14:37:11.903154Z",
"updated_at": "2022-09-04T14:37:11.903179Z",
"structure_string": "Li4 B4 H16\n1.0\n4.379227 -0.000000 0.000000\n-0.000000 6.643383 0.000000\n0.000000 0.000000 6.906875\nLi B H\n4 4 16\ndirect\n0.250000 0.111939 0.160326 Li\n0.750001 0.888061 0.839673 Li\n0.750001 0.611938 0.339674 Li\n0.250000 0.388061 0.660326 Li\n0.250000 0.435801 0.300248 B\n0.750001 0.564198 0.699751 B\n0.750001 0.935801 0.199752 B\n0.250000 0.064199 0.800247 B\n0.750001 0.719943 0.603052 H\n0.250000 0.280056 0.396948 H\n0.250000 0.582573 0.407853 H\n0.750001 0.417427 0.592147 H\n0.750001 0.082573 0.092147 H\n0.250000 0.917426 0.907852 H\n0.024939 0.435939 0.195033 H\n0.975062 0.564060 0.804966 H\n0.975062 0.935939 0.304966 H\n0.475062 0.064061 0.695033 H\n0.750001 0.780056 0.103052 H\n0.475062 0.435939 0.195033 H\n0.024939 0.064061 0.695033 H\n0.524939 0.935939 0.304966 H\n0.524939 0.564060 0.804966 H\n0.250000 0.219944 0.896947 H\n",
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{
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"structure_string": "P2 H8 Br2\n1.0\n5.972855 0.000000 0.000000\n0.000000 5.972855 -0.000000\n0.000000 -0.000000 4.345815\nP H Br\n2 8 2\ndirect\n0.000000 0.000000 0.000000 P\n0.500000 0.500000 0.000000 P\n0.500000 0.691819 0.808833 H\n0.808183 0.000000 0.808833 H\n0.000000 0.191818 0.191166 H\n0.691819 0.500000 0.191166 H\n0.308182 0.500000 0.191166 H\n0.000000 0.808183 0.191166 H\n0.500000 0.308182 0.808833 H\n0.191818 0.000000 0.808833 H\n0.500000 0.000000 0.388788 Br\n0.000000 0.500000 0.611211 Br\n",
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{
"id": "jvasp-43505",
"created_at": "2022-09-04T14:37:18.823051Z",
"updated_at": "2022-09-04T14:37:18.823083Z",
"structure_string": "Li2 Fe2 F8\n1.0\n0.000000 5.401372 0.000000\n-7.365513 2.700687 0.495832\n-3.455654 0.000000 3.948767\nLi Fe F\n2 2 8\ndirect\n0.500000 0.499999 0.500000 Li\n0.000000 0.500000 -0.000000 Li\n0.820051 -0.000001 0.750001 Fe\n0.179949 -0.000000 0.250000 Fe\n0.989768 0.810204 0.610307 F\n0.524278 0.717714 0.587646 F\n0.200029 0.810204 0.110306 F\n0.758007 0.717715 0.087646 F\n0.241994 0.282284 0.912355 F\n0.799972 0.189795 0.889694 F\n0.475723 0.282285 0.412354 F\n0.010233 0.189795 0.389694 F\n",
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{
"id": "jvasp-10186",
"created_at": "2022-09-04T14:37:17.150475Z",
"updated_at": "2022-09-04T14:37:17.150494Z",
"structure_string": "Mg2 U2 O8\n1.0\n5.440017 0.023073 -2.040610\n-2.868347 4.769570 -1.667990\n-0.003970 -0.023073 5.810151\nMg U O\n2 2 8\ndirect\n0.500000 -0.000000 0.500000 Mg\n0.500000 0.500000 -0.000000 Mg\n0.034616 0.250000 0.284616 U\n0.965383 0.750000 0.715383 U\n0.807833 0.475138 0.282972 O\n0.192167 0.524862 0.717028 O\n0.807833 0.024861 0.832695 O\n0.192166 0.975139 0.167304 O\n0.731617 0.948738 0.282880 O\n0.665858 0.448738 0.717120 O\n0.334142 0.551261 0.282880 O\n0.268382 0.051262 0.717120 O\n",
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{
"id": "jvasp-8801",
"created_at": "2022-09-04T14:37:09.450645Z",
"updated_at": "2022-09-04T14:37:09.450666Z",
"structure_string": "Ho1 Ta1 O4\n1.0\n3.582672 0.000000 0.000000\n0.000000 3.582672 0.000000\n-0.000000 0.000000 5.377428\nHo Ta O\n1 1 4\ndirect\n0.500000 0.500000 0.500000 Ho\n0.000000 0.000000 0.000000 Ta\n0.500000 0.000000 0.821362 O\n0.500000 0.000000 0.269394 O\n0.000000 0.500000 0.178639 O\n0.000000 0.500000 0.730607 O\n",
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{
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"created_at": "2022-09-04T14:37:11.851590Z",
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"structure_string": "Sr4 Ca4 I16\n1.0\n0.000000 7.875978 -1.396382\n15.674496 0.000000 0.000000\n0.000000 0.883446 -7.935911\nSr Ca I\n4 4 16\ndirect\n0.396652 0.860432 0.150095 Sr\n0.396652 0.639569 0.650094 Sr\n0.603349 0.360432 0.349905 Sr\n0.603349 0.139568 0.849905 Sr\n0.101429 0.137375 0.357174 Ca\n0.101429 0.362625 0.857174 Ca\n0.898572 0.637375 0.142826 Ca\n0.898572 0.862625 0.642825 Ca\n0.656841 0.716480 0.888118 I\n0.863293 0.216622 0.095756 I\n0.758346 0.028861 0.486580 I\n0.758472 0.967571 -0.013841 I\n0.656841 0.783521 0.388118 I\n0.758346 0.471139 -0.013420 I\n0.241654 0.528861 0.013419 I\n0.136708 0.783378 0.904243 I\n0.241528 0.032430 0.013841 I\n0.241654 0.971139 0.513419 I\n0.758472 0.532430 0.486159 I\n0.343160 0.283521 0.111882 I\n0.241529 0.467571 0.513841 I\n0.136707 0.716622 0.404243 I\n0.343160 0.216479 0.611882 I\n0.863293 0.283378 0.595756 I\n",
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{
"id": "jvasp-12666",
"created_at": "2022-09-04T14:37:06.208962Z",
"updated_at": "2022-09-04T14:37:06.208980Z",
"structure_string": "V2 Bi2 O8\n1.0\n4.788157 -0.000000 -1.931901\n-0.779473 4.724286 -1.931901\n-0.002725 -0.003212 6.892847\nV Bi O\n2 2 8\ndirect\n0.875000 0.625000 0.750001 V\n0.124999 0.375001 0.250000 V\n0.375001 0.125000 0.750001 Bi\n0.625001 0.875001 0.250001 Bi\n0.936081 0.295976 0.591554 O\n0.295577 0.436082 0.091554 O\n0.795977 0.155473 0.091555 O\n0.655473 0.795578 0.591555 O\n0.344528 0.204423 0.408447 O\n0.204024 0.844528 0.908447 O\n0.063919 0.704023 0.408446 O\n0.704423 0.563919 0.908448 O\n",
"nsites": 12,
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"density": 6.902056660633553,
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"volume": 155.86107464210977,
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"spacegroup": 88
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{
"id": "jvasp-10993",
"created_at": "2022-09-04T14:37:19.983348Z",
"updated_at": "2022-09-04T14:37:19.983381Z",
"structure_string": "Sr2 Pd2 F8\n1.0\n5.301052 0.000000 -2.515299\n-1.193486 5.164954 -2.515299\n-0.030076 -0.037818 6.780310\nSr Pd F\n2 2 8\ndirect\n0.249999 0.250000 0.499999 Sr\n0.749999 0.749999 0.499999 Sr\n-0.000000 0.500000 -0.000000 Pd\n0.500000 -0.000000 -0.000000 Pd\n0.962522 0.462523 0.264696 F\n0.697825 0.197826 0.735302 F\n0.037476 0.537476 0.735302 F\n0.197826 0.037477 0.735303 F\n0.302173 0.802173 0.264696 F\n0.462522 0.302173 0.264696 F\n0.802172 0.962522 0.264696 F\n0.537475 0.697825 0.735302 F\n",
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{
"id": "jvasp-34640",
"created_at": "2022-09-04T14:37:13.415326Z",
"updated_at": "2022-09-04T14:37:13.415352Z",
"structure_string": "Nd4 As4 O16\n1.0\n0.000000 6.759889 0.006969\n7.162159 0.000000 0.000000\n0.000000 -4.948138 -6.729976\nNd As O\n4 4 16\ndirect\n0.816068 0.848823 0.219747 Nd\n0.183932 0.151177 0.780253 Nd\n0.183932 0.348823 0.280253 Nd\n0.816068 0.651177 0.719748 Nd\n0.688166 0.161863 0.801682 As\n0.311834 0.661864 0.698319 As\n0.688166 0.338137 0.301682 As\n0.311834 0.838137 0.198319 As\n0.170527 0.494774 0.745898 O\n0.611776 0.712170 0.886648 O\n0.893660 0.344466 0.893008 O\n0.350662 0.892492 0.017781 O\n0.649338 0.392492 0.482219 O\n0.106340 0.655534 0.106992 O\n0.893660 0.155534 0.393008 O\n0.350662 0.607509 0.517782 O\n0.829473 0.994774 0.754103 O\n0.388225 0.287830 0.113352 O\n0.106340 0.844466 0.606993 O\n0.829473 0.505226 0.254103 O\n0.388225 0.212170 0.613353 O\n0.611776 0.787830 0.386648 O\n0.170527 0.005226 0.245898 O\n0.649338 0.107508 0.982219 O\n",
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{
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"structure_string": "Be1 Ga4 W1\n1.0\n0.000000 3.550388 3.550388\n3.550388 -0.000000 3.550388\n3.550388 3.550388 -0.000000\nBe Ga W\n1 4 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.123092 0.625637 0.625637 Ga\n0.625637 0.625637 0.625637 Ga\n0.625637 0.123092 0.625637 Ga\n0.625637 0.625637 0.123092 Ga\n0.250000 0.250000 0.250000 W\n",
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{
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"structure_string": "Be1 Nb4 Ru1\n1.0\n0.000000 3.741972 3.741972\n3.741972 -0.000000 3.741972\n3.741972 3.741972 -0.000000\nBe Nb Ru\n1 4 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.124557 0.625147 0.625147 Nb\n0.625147 0.625147 0.625147 Nb\n0.625147 0.124557 0.625147 Nb\n0.625147 0.625147 0.124557 Nb\n0.250000 0.250000 0.250000 Ru\n",
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{
"id": "jvasp-64577",
"created_at": "2022-09-04T14:36:18.036785Z",
"updated_at": "2022-09-04T14:36:18.036813Z",
"structure_string": "Ba4 Sr1 Rh1\n1.0\n-0.000000 5.083075 5.083075\n5.083075 -0.000000 5.083075\n5.083075 5.083075 -0.000000\nBa Sr Rh\n4 1 1\ndirect\n0.132658 0.622448 0.622448 Ba\n0.622448 0.622448 0.622448 Ba\n0.622448 0.132658 0.622448 Ba\n0.622448 0.622448 0.132658 Ba\n0.000000 0.000000 0.000000 Sr\n0.250000 0.250000 0.250000 Rh\n",
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}
]
}