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{
"id": "jvasp-71251",
"created_at": "2022-09-04T14:35:55.143430Z",
"updated_at": "2022-09-04T14:35:55.143456Z",
"structure_string": "Sr2 Be1 Ru1\n1.0\n3.348522 0.000000 0.000000\n0.000000 3.348522 0.000000\n0.000000 0.000000 8.669677\nSr Be Ru\n2 1 1\ndirect\n0.000000 0.000000 0.913530 Sr\n0.500000 0.500000 0.335424 Sr\n0.000000 0.000000 0.596128 Be\n0.500000 0.500000 0.654919 Ru\n",
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{
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"structure_string": "Tm2 Mg6\n1.0\n6.598648 0.000000 0.000000\n-3.299325 5.714598 -0.000000\n0.000000 -0.000000 5.155757\nTm Mg\n2 6\ndirect\n0.666668 0.333332 0.250000 Tm\n0.333334 0.666667 0.750001 Tm\n0.164604 0.329206 0.250000 Mg\n0.164604 0.835398 0.250000 Mg\n0.670796 0.835398 0.250000 Mg\n0.329206 0.164603 0.750001 Mg\n0.835396 0.164603 0.750001 Mg\n0.835399 0.670796 0.750001 Mg\n",
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{
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"structure_string": "K1 Mg6 Cr1\n1.0\n7.623576 -2.042595 0.000000\n-5.580727 9.666102 0.000000\n0.000000 0.000000 3.121073\nK Mg Cr\n1 6 1\ndirect\n0.249971 0.374985 0.250000 K\n0.750085 0.375062 0.250000 Mg\n0.750085 0.875021 0.250000 Mg\n0.250070 0.074857 0.749999 Mg\n0.250069 0.675212 0.749999 Mg\n0.649567 0.074784 0.749999 Mg\n0.850270 0.675136 0.749999 Mg\n0.249882 0.874941 0.250000 Cr\n",
"nsites": 8,
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"elements": [
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},
{
"id": "jvasp-94905",
"created_at": "2022-09-04T14:36:32.622815Z",
"updated_at": "2022-09-04T14:36:32.622840Z",
"structure_string": "Pr1 In5 Ir1\n1.0\n4.717284 0.000000 0.000000\n0.000000 4.717284 -0.000000\n0.000000 -0.000000 7.644254\nPr In Ir\n1 5 1\ndirect\n0.000000 0.000000 0.000000 Pr\n0.500000 0.500000 0.000000 In\n0.500000 0.000000 0.695422 In\n0.000000 0.500000 0.695422 In\n0.500000 0.000000 0.304578 In\n0.000000 0.500000 0.304578 In\n0.000000 0.000000 0.500000 Ir\n",
"nsites": 7,
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"elements": [
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"volume": 170.105813368556,
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"spacegroup": 123
},
{
"id": "jvasp-21845",
"created_at": "2022-09-04T14:37:36.722949Z",
"updated_at": "2022-09-04T14:37:36.722973Z",
"structure_string": "Pr4 Cd2 Pd4\n1.0\n7.855883 0.000000 -0.000000\n0.000000 7.855883 -0.000000\n-0.000000 0.000000 3.937542\nPr Cd Pd\n4 2 4\ndirect\n0.325605 0.825605 0.500000 Pr\n0.825605 0.674395 0.500000 Pr\n0.174395 0.325605 0.500000 Pr\n0.674395 0.174395 0.500000 Pr\n0.000000 0.000000 0.000000 Cd\n0.500000 0.500000 0.000000 Cd\n0.373085 0.126914 0.000000 Pd\n0.873085 0.373085 0.000000 Pd\n0.126914 0.626914 0.000000 Pd\n0.626914 0.873085 0.000000 Pd\n",
"nsites": 10,
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"formula_anonymous": "AB2C2",
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"spacegroup": 127
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{
"id": "jvasp-39839",
"created_at": "2022-09-04T14:37:54.089358Z",
"updated_at": "2022-09-04T14:37:54.089379Z",
"structure_string": "Li2 Ac1 Pb1\n1.0\n-0.000000 3.649327 3.649327\n3.649327 -0.000000 3.649327\n3.649327 3.649327 0.000000\nLi Ac Pb\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.500000 Li\n0.250001 0.250001 0.250001 Ac\n0.750002 0.750002 0.750002 Pb\n",
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},
{
"id": "jvasp-114771",
"created_at": "2022-09-04T14:38:43.572740Z",
"updated_at": "2022-09-04T14:38:43.572761Z",
"structure_string": "N1 Cl3\n1.0\n4.738770 -0.002710 0.360462\n0.379337 -3.602432 -0.125254\n-1.101491 -3.359649 -5.921590\nN Cl\n1 3\ndirect\n0.549291 0.739679 0.547118 N\n0.020347 0.760044 0.011545 Cl\n0.244463 0.604605 0.583789 Cl\n0.678582 0.546266 0.130049 Cl\n",
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"volume": 97.19773797454515,
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"spacegroup": 1
},
{
"id": "jvasp-118054",
"created_at": "2022-09-04T14:38:52.188285Z",
"updated_at": "2022-09-04T14:38:52.188306Z",
"structure_string": "Sb1 H1 Cl2\n1.0\n4.160736 -0.000000 -0.000000\n-0.000000 4.160736 -0.000000\n0.000000 -0.000000 5.614333\nSb H Cl\n1 1 2\ndirect\n0.500001 0.500001 0.522212 Sb\n0.000000 0.000000 0.022913 H\n0.000000 0.000000 0.513489 Cl\n0.500001 0.500001 -0.048615 Cl\n",
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"formula_full": "Sb1 H1 Cl2",
"formula_reduced": "SbHCl2",
"formula_anonymous": "ABC2",
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"spacegroup": 99
},
{
"id": "jvasp-68418",
"created_at": "2022-09-04T14:35:54.522715Z",
"updated_at": "2022-09-04T14:35:54.522731Z",
"structure_string": "Be1 Tl2 Hg1\n1.0\n3.318656 0.000000 -0.000000\n0.000000 3.318656 0.000000\n-0.000000 -0.000000 8.824942\nBe Tl Hg\n1 2 1\ndirect\n0.000000 0.000000 0.574625 Be\n0.000000 0.000000 0.962940 Tl\n0.500001 0.500001 0.296954 Tl\n0.500001 0.500001 0.665480 Hg\n",
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},
{
"id": "jvasp-110450",
"created_at": "2022-09-04T14:38:38.802311Z",
"updated_at": "2022-09-04T14:38:38.802336Z",
"structure_string": "Mg2 Sn2\n1.0\n5.764442 -0.030441 1.531227\n4.774641 3.229943 1.531227\n0.003780 0.001147 5.180750\nMg Sn\n2 2\ndirect\n0.372546 0.372547 0.773289 Mg\n0.627454 0.627453 0.226712 Mg\n0.114154 0.114155 0.737993 Sn\n0.885845 0.885845 0.262009 Sn\n",
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},
{
"id": "jvasp-107677",
"created_at": "2022-09-04T14:36:59.265910Z",
"updated_at": "2022-09-04T14:36:59.265937Z",
"structure_string": "Mn1 Sn3\n1.0\n4.190063 0.230075 -4.273448\n-0.538580 4.161670 -4.273448\n-0.191294 -0.230075 5.981839\nMn Sn\n1 3\ndirect\n0.000000 0.000000 0.000000 Mn\n0.750000 0.250000 0.500000 Sn\n0.250000 0.750000 0.500000 Sn\n0.500000 0.500001 -0.000000 Sn\n",
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{
"id": "jvasp-28972",
"created_at": "2022-09-04T14:37:15.198301Z",
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"structure_string": "Mo2 W2 Se4 S4\n1.0\n3.257344 0.000000 0.000000\n-1.628672 2.821021 0.001315\n0.000000 0.014425 31.727910\nMo W Se S\n2 2 4 4\ndirect\n0.334940 0.669881 0.476483 Mo\n0.665632 0.331264 0.275028 Mo\n0.333505 0.667010 0.072457 W\n0.665998 0.331998 0.678966 W\n0.332198 0.664397 0.328552 Se\n0.332185 0.664371 0.732747 Se\n0.332290 0.664581 0.221530 Se\n0.332972 0.665944 0.625066 Se\n0.667086 0.334171 0.023537 S\n0.668567 0.337134 0.427723 S\n0.666635 0.333271 0.121431 S\n0.667985 0.335970 0.525227 S\n",
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