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{
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{
"id": "jvasp-18646",
"created_at": "2022-09-04T14:36:57.230955Z",
"updated_at": "2022-09-04T14:36:57.230963Z",
"structure_string": "Ca2 Zn2\n1.0\n3.893749 -0.000000 -1.409262\n0.000000 4.433219 -0.000000\n-0.024997 0.000000 6.014721\nCa Zn\n2 2\ndirect\n0.854467 0.250000 0.708935 Ca\n0.145532 0.750000 0.291065 Ca\n0.567081 0.250000 0.134161 Zn\n0.432919 0.750000 0.865839 Zn\n",
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{
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"structure_string": "Sc4 Be1 Zn1\n1.0\n-0.000000 3.967806 3.967806\n3.967806 0.000000 3.967806\n3.967806 3.967806 0.000000\nSc Be Zn\n4 1 1\ndirect\n0.124068 0.625311 0.625311 Sc\n0.625311 0.625311 0.625311 Sc\n0.625311 0.124068 0.625311 Sc\n0.625311 0.625311 0.124068 Sc\n0.000000 0.000000 0.000000 Be\n0.250000 0.250000 0.250000 Zn\n",
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{
"id": "jvasp-49920",
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"structure_string": "Li4 Nb2 S6\n1.0\n3.041334 5.392647 -0.016388\n-3.041334 5.392647 0.016388\n-2.072716 0.000000 6.094130\nLi Nb S\n4 2 6\ndirect\n0.844911 0.844911 0.500000 Li\n0.155089 0.155090 0.500000 Li\n0.500000 0.500001 0.500000 Li\n0.000000 0.000000 0.000000 Li\n0.320097 0.320097 0.000000 Nb\n0.679903 0.679903 -0.000000 Nb\n0.265291 0.734710 0.771718 S\n0.424113 0.917496 0.250038 S\n0.082505 0.575887 0.250038 S\n0.575887 0.082505 0.749962 S\n0.917495 0.424114 0.749962 S\n0.734709 0.265292 0.228282 S\n",
"nsites": 12,
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{
"id": "jvasp-117591",
"created_at": "2022-09-04T14:38:53.332897Z",
"updated_at": "2022-09-04T14:38:53.332923Z",
"structure_string": "Ba1 O1 F1\n1.0\n4.759993 0.012054 0.000000\n-2.389996 3.801356 0.000000\n0.000000 0.000000 4.673414\nBa O F\n1 1 1\ndirect\n0.332362 -0.001994 0.000000 Ba\n0.678487 0.690396 0.000000 O\n-0.010850 0.311597 0.000000 F\n",
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"volume": 84.6973893448929,
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{
"id": "jvasp-15625",
"created_at": "2022-09-04T14:37:14.578315Z",
"updated_at": "2022-09-04T14:37:14.578335Z",
"structure_string": "K2 Cu1 F4\n1.0\n3.877404 -0.000000 -1.202246\n-0.372774 3.859443 -1.202246\n0.076107 0.083811 7.099152\nK Cu F\n2 1 4\ndirect\n0.355894 0.355893 0.711787 K\n0.644106 0.644106 0.288212 K\n0.000000 0.000000 0.000000 Cu\n0.155124 0.155124 0.310248 F\n0.500000 0.000000 -0.000000 F\n0.844877 0.844875 0.689750 F\n0.000000 0.500000 -0.000000 F\n",
"nsites": 7,
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"volume": 107.0175005833829,
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{
"id": "jvasp-79163",
"created_at": "2022-09-04T14:37:57.001182Z",
"updated_at": "2022-09-04T14:37:57.001196Z",
"structure_string": "Mg3 Nb1\n1.0\n6.306030 0.328464 -0.000000\n-1.434277 2.484242 0.000000\n-0.000000 0.000000 5.050789\nMg Nb\n3 1\ndirect\n0.649772 0.649771 0.250000 Mg\n0.331448 0.331448 0.750000 Mg\n0.866631 0.366630 0.750000 Mg\n0.152147 0.652146 0.250000 Nb\n",
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{
"id": "jvasp-46914",
"created_at": "2022-09-04T14:38:07.353555Z",
"updated_at": "2022-09-04T14:38:07.353572Z",
"structure_string": "Li4 V3 O1 F11\n1.0\n5.539669 -0.000846 -0.036082\n-0.850039 6.020829 -0.027295\n-1.187278 -1.528452 5.993081\nLi V O F\n4 3 1 11\ndirect\n0.856523 0.663576 0.451424 Li\n0.615314 0.144733 0.361456 Li\n0.382629 0.872258 0.643899 Li\n0.136537 0.330493 0.541487 Li\n0.300236 0.618053 0.137638 V\n0.991450 0.974901 0.998872 V\n0.696422 0.399719 0.868968 V\n0.940751 0.673473 0.021349 O\n0.431138 0.600592 0.849168 F\n0.669131 0.051570 0.870911 F\n0.165741 0.576515 0.397869 F\n0.416604 0.204493 0.599413 F\n0.570919 0.410836 0.158495 F\n0.831503 0.415923 0.601568 F\n0.339991 0.954239 0.129675 F\n0.058886 0.898266 0.703562 F\n0.933988 0.104505 0.288124 F\n0.574687 0.799791 0.404078 F\n0.087541 0.306066 0.972040 F\n",
"nsites": 19,
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"elements": [
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"density_atomic": 0.09531005725179954,
"volume": 199.34937138694522,
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"formula_full": "Li4 V3 O1 F11",
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{
"id": "jvasp-114564",
"created_at": "2022-09-04T14:38:42.542369Z",
"updated_at": "2022-09-04T14:38:42.542397Z",
"structure_string": "Ba1 Cl2\n1.0\n4.261805 -0.103145 0.053012\n-2.263350 -5.163732 0.496771\n0.045517 -0.461521 -4.555270\nBa Cl\n1 2\ndirect\n0.004089 0.034795 0.071157 Ba\n0.439456 0.905372 0.571162 Cl\n0.713143 0.452962 0.070686 Cl\n",
"nsites": 3,
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"elements": [
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"formula_full": "Ba1 Cl2",
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{
"id": "jvasp-16915",
"created_at": "2022-09-04T14:36:55.224493Z",
"updated_at": "2022-09-04T14:36:55.224507Z",
"structure_string": "Fe2 S4\n1.0\n4.512998 -0.000000 -2.052559\n-0.933525 4.415390 -2.052560\n-0.020567 -0.025370 5.942462\nFe S\n2 4\ndirect\n0.249999 0.750000 0.499999 Fe\n0.000000 0.000000 0.000000 Fe\n0.889957 0.875000 0.250000 S\n0.625000 0.110042 0.750000 S\n0.360041 0.375000 0.250000 S\n0.124999 0.639958 0.749999 S\n",
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{
"id": "jvasp-47240",
"created_at": "2022-09-04T14:38:09.256175Z",
"updated_at": "2022-09-04T14:38:09.256206Z",
"structure_string": "Li4 V4 F16\n1.0\n0.000000 7.251101 -0.021095\n4.971560 0.000000 0.000000\n0.000000 -1.556457 -7.297494\nLi V F\n4 4 16\ndirect\n0.337979 0.250876 0.641419 Li\n0.837979 0.249124 0.641419 Li\n0.162020 0.750876 0.358580 Li\n0.662020 0.749123 0.358580 Li\n0.182992 0.745774 0.816657 V\n0.682992 0.754226 0.816657 V\n0.317007 0.245774 0.183342 V\n0.817007 0.254226 0.183342 V\n0.566162 0.411901 0.188167 F\n0.917644 0.573394 0.305157 F\n0.066162 0.088099 0.188167 F\n0.417644 0.926606 0.305158 F\n0.806370 0.079266 0.409258 F\n0.306370 0.420734 0.409258 F\n0.693630 0.579266 0.590741 F\n0.082356 0.426606 0.694841 F\n0.582356 0.073394 0.694841 F\n0.933837 0.911901 0.811832 F\n0.194702 0.566991 0.053868 F\n0.433838 0.588099 0.811832 F\n0.805298 0.433009 0.946131 F\n0.305298 0.066991 0.946131 F\n0.193630 0.920734 0.590741 F\n0.694702 0.933009 0.053868 F\n",
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{
"id": "jvasp-112160",
"created_at": "2022-09-04T14:38:43.707408Z",
"updated_at": "2022-09-04T14:38:43.707432Z",
"structure_string": "Hf1 H8 C6 O4\n1.0\n3.785697 -0.145322 -0.525944\n-1.443890 4.375311 -0.749995\n-0.856865 0.269221 9.764484\nHf H C O\n1 8 6 4\ndirect\n0.704136 0.815390 0.686867 Hf\n0.175984 0.364388 0.074008 H\n0.514454 0.187042 0.094061 H\n0.720758 0.890896 0.140179 H\n0.051868 0.704968 0.166242 H\n0.483132 0.207459 0.326333 H\n-0.009255 0.337515 0.373409 H\n0.000395 0.887542 0.397813 H\n0.498754 0.744593 0.343258 H\n0.471058 0.399254 0.068929 C\n0.763823 0.685082 0.174306 C\n0.751123 0.693506 0.329872 C\n0.745029 0.426340 0.543040 C\n0.744512 0.401305 0.386744 C\n0.467551 0.395310 0.914346 C\n0.681749 0.634009 0.880439 O\n0.681218 0.139321 0.581134 O\n0.111198 0.644416 0.636749 O\n0.259891 0.148386 0.824277 O\n",
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{
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"created_at": "2022-09-04T14:37:57.887059Z",
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"structure_string": "Rb3 P1\n1.0\n-2.922869 2.922869 4.133950\n2.922869 -2.922869 4.133950\n2.922869 2.922869 -4.133950\nRb P\n3 1\ndirect\n0.750000 0.250000 0.500000 Rb\n0.250000 0.750000 0.500000 Rb\n0.499999 0.499999 0.000000 Rb\n0.000000 0.000000 0.000000 P\n",
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}