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{
"id": "jvasp-37333",
"created_at": "2022-09-04T14:38:02.816208Z",
"updated_at": "2022-09-04T14:38:02.816227Z",
"structure_string": "Sr1 Ac1 Zn2\n1.0\n0.000000 3.889358 3.889358\n3.889358 -0.000000 3.889358\n3.889358 3.889358 -0.000000\nSr Ac Zn\n1 1 2\ndirect\n0.750000 0.750000 0.750000 Sr\n0.249999 0.249999 0.249999 Ac\n0.000000 0.000000 0.000000 Zn\n0.500001 0.500001 0.500001 Zn\n",
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{
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"structure_string": "Te2 Mo1 W3 Se6\n1.0\n3.385845 -0.000006 0.000000\n-1.692928 2.932248 -0.000005\n0.000001 -0.000124 35.555608\nTe Mo W Se\n2 1 3 6\ndirect\n0.333351 0.666708 0.712914 Te\n0.333335 0.666675 0.606476 Te\n0.333326 0.666657 0.465150 Mo\n0.333300 0.666603 0.096817 W\n0.666662 0.333319 0.281204 W\n0.666680 0.333363 0.659746 W\n0.333320 0.666647 0.327934 Se\n0.666650 0.333300 0.050141 Se\n0.666648 0.333298 0.418648 Se\n0.666665 0.333331 0.143551 Se\n0.666679 0.333359 0.511687 Se\n0.333369 0.666739 0.234482 Se\n",
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{
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"updated_at": "2022-09-04T14:36:35.434974Z",
"structure_string": "Ac2 Mg6\n1.0\n7.188754 -0.000000 0.000000\n-3.594377 6.225643 0.000000\n0.000000 0.000000 5.258136\nAc Mg\n2 6\ndirect\n0.666666 0.333333 0.250000 Ac\n0.333333 0.666666 0.750001 Ac\n0.151814 0.303629 0.250000 Mg\n0.151813 0.848186 0.250000 Mg\n0.696370 0.848186 0.250000 Mg\n0.303629 0.151814 0.750001 Mg\n0.848185 0.151814 0.750001 Mg\n0.848185 0.696371 0.750001 Mg\n",
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"volume": 235.32585765474465,
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"formula_full": "Ac2 Mg6",
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{
"id": "jvasp-41737",
"created_at": "2022-09-04T14:37:41.535650Z",
"updated_at": "2022-09-04T14:37:41.535683Z",
"structure_string": "Li1 Ac2 Si1\n1.0\n0.000000 3.889195 3.889195\n3.889195 0.000000 3.889195\n3.889195 3.889195 0.000000\nLi Ac Si\n1 2 1\ndirect\n0.250000 0.250000 0.250000 Li\n0.500000 0.500000 0.500000 Ac\n0.000000 0.000000 0.000000 Ac\n0.750001 0.750001 0.750001 Si\n",
"nsites": 4,
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"elements": [
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"volume": 117.65466508086017,
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"formula_full": "Li1 Ac2 Si1",
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"spacegroup": 225
},
{
"id": "jvasp-106794",
"created_at": "2022-09-04T14:36:55.262111Z",
"updated_at": "2022-09-04T14:36:55.262135Z",
"structure_string": "K1 Nb1 Cl6\n1.0\n5.951926 -0.067065 3.553087\n1.984566 5.611722 3.553087\n-0.095996 -0.067065 6.931136\nK Nb Cl\n1 1 6\ndirect\n0.743192 0.743190 0.743193 K\n0.992982 0.992979 0.992982 Nb\n0.236498 0.749648 0.749650 Cl\n0.749650 0.749648 0.236499 Cl\n0.749649 0.236497 0.749650 Cl\n0.749554 0.236351 0.236353 Cl\n0.236352 0.236351 0.749555 Cl\n0.236353 0.749553 0.236353 Cl\n",
"nsites": 8,
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"elements": [
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"density": 2.4326586724889507,
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"volume": 235.30858798919743,
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"formula_full": "K1 Nb1 Cl6",
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"spacegroup": 216
},
{
"id": "jvasp-110856",
"created_at": "2022-09-04T14:38:36.689706Z",
"updated_at": "2022-09-04T14:38:36.689740Z",
"structure_string": "Sn3 Bi1\n1.0\n4.900059 -0.000000 0.000000\n0.000000 4.900059 0.000000\n-0.000000 -0.000000 4.900059\nSn Bi\n3 1\ndirect\n-0.000000 0.500000 0.500000 Sn\n0.500000 0.000000 0.500000 Sn\n0.500000 0.500000 -0.000000 Sn\n0.000000 0.000000 0.000000 Bi\n",
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"spacegroup": 221
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{
"id": "jvasp-36899",
"created_at": "2022-09-04T14:38:03.048677Z",
"updated_at": "2022-09-04T14:38:03.048693Z",
"structure_string": "K1 Ge1 Cl3\n1.0\n5.280102 0.059600 0.063131\n0.154231 5.281657 0.073367\n0.141718 0.150245 5.278947\nK Ge Cl\n1 1 3\ndirect\n0.050233 0.045548 0.041589 K\n0.522880 0.512652 0.510760 Ge\n0.498585 0.485913 0.977263 Cl\n-0.009874 0.487049 0.485754 Cl\n0.498174 0.978840 0.484639 Cl\n",
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"volume": 147.0657262631051,
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"formula_full": "K1 Ge1 Cl3",
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"spacegroup": 160
},
{
"id": "jvasp-69364",
"created_at": "2022-09-04T14:36:20.146576Z",
"updated_at": "2022-09-04T14:36:20.146609Z",
"structure_string": "Ba1 Co2 Cl1\n1.0\n4.401996 -0.000000 0.000000\n-0.000000 4.448900 0.000000\n0.000000 0.000000 6.006965\nBa Co Cl\n1 2 1\ndirect\n0.500000 0.500000 0.000000 Ba\n0.000000 0.000000 0.826987 Co\n0.000000 0.000000 0.173012 Co\n0.500000 0.500000 0.500000 Cl\n",
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"volume": 117.64064286503064,
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"formula_full": "Ba1 Co2 Cl1",
"formula_reduced": "BaCo2Cl",
"formula_anonymous": "ABC2",
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"spacegroup": 123
},
{
"id": "jvasp-114788",
"created_at": "2022-09-04T14:38:41.283002Z",
"updated_at": "2022-09-04T14:38:41.283020Z",
"structure_string": "Na1 Sn1 Cl3\n1.0\n5.545583 -0.204058 1.140110\n0.021878 5.550615 1.130186\n1.410654 1.374051 5.355463\nNa Sn Cl\n1 1 3\ndirect\n0.965807 0.977953 0.567292 Na\n0.440323 0.451872 0.677117 Sn\n0.461705 -0.039785 0.556134 Cl\n-0.051757 0.473677 0.556818 Cl\n0.623919 0.636281 0.132637 Cl\n",
"nsites": 5,
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],
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"formula_full": "Na1 Sn1 Cl3",
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"spacegroup": 8
},
{
"id": "jvasp-92678",
"created_at": "2022-09-04T14:36:21.493825Z",
"updated_at": "2022-09-04T14:36:21.493857Z",
"structure_string": "Rb2 Pd1 Se2\n1.0\n0.000000 -0.000000 3.834337\n-5.051680 3.795546 1.917168\n-5.051680 -3.795546 1.917168\nRb Pd Se\n2 1 2\ndirect\n0.195567 0.304433 0.304433 Rb\n0.804434 0.695567 0.695567 Rb\n0.000000 0.000000 0.000000 Pd\n0.500001 0.216416 0.783584 Se\n0.500001 0.783584 0.216416 Se\n",
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"formula_full": "Rb2 Pd1 Se2",
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{
"id": "jvasp-87869",
"created_at": "2022-09-04T14:35:51.023558Z",
"updated_at": "2022-09-04T14:35:51.023579Z",
"structure_string": "Ba8 Si16\n1.0\n6.772015 -0.000000 0.000000\n0.000000 8.983549 0.000000\n0.000000 0.000000 11.599846\nBa Si\n8 16\ndirect\n0.749999 0.985090 0.307330 Ba\n0.749999 0.485090 0.192670 Ba\n0.250000 0.514910 0.807330 Ba\n0.749999 0.160166 0.906037 Ba\n0.250000 0.839834 0.093963 Ba\n0.749999 0.660166 0.593963 Ba\n0.250000 0.339834 0.406037 Ba\n0.250000 0.014910 0.692670 Ba\n0.250000 0.918312 0.409529 Si\n0.749999 0.081688 0.590472 Si\n0.250000 0.418312 0.090472 Si\n0.749999 0.581688 0.909529 Si\n0.929236 0.306170 0.645675 Si\n0.250000 0.196876 0.964712 Si\n0.749999 0.803124 0.035288 Si\n0.929236 0.806170 0.854326 Si\n0.429237 0.193830 0.145675 Si\n0.570763 0.306170 0.645675 Si\n0.070763 0.693830 0.354326 Si\n0.070763 0.193830 0.145675 Si\n0.570763 0.806170 0.854326 Si\n0.429237 0.693830 0.354326 Si\n0.749999 0.303124 0.464712 Si\n0.250000 0.696876 0.535288 Si\n",
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"formula_full": "Ba8 Si16",
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{
"id": "jvasp-3918",
"created_at": "2022-09-04T14:35:44.837121Z",
"updated_at": "2022-09-04T14:35:44.837148Z",
"structure_string": "Sm2 Br6\n1.0\n4.041974 0.000000 0.000000\n-2.020987 6.372230 0.000000\n0.000000 0.000000 9.132642\nSm Br\n2 6\ndirect\n0.742789 0.485579 0.250000 Sm\n0.257209 0.514420 0.750000 Sm\n0.354448 0.708896 0.434305 Br\n0.645551 0.291104 0.565694 Br\n0.918025 0.836053 0.750000 Br\n0.081973 0.163947 0.250000 Br\n0.354448 0.708896 0.065694 Br\n0.645551 0.291104 0.934305 Br\n",
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}