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{
"id": "jvasp-3222",
"created_at": "2022-09-04T14:36:17.235041Z",
"updated_at": "2022-09-04T14:36:17.235073Z",
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{
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"structure_string": "Ce2 As2 Ru2 O2\n1.0\n4.108097 -0.000000 0.000000\n0.000000 4.108097 -0.000000\n0.000000 -0.000000 8.013324\nCe As Ru O\n2 2 2 2\ndirect\n0.750001 0.750001 0.853824 Ce\n0.250000 0.250000 0.146176 Ce\n0.750001 0.750001 0.336086 As\n0.250000 0.250000 0.663913 As\n0.750001 0.250000 0.500000 Ru\n0.250000 0.750001 0.500000 Ru\n0.750001 0.250000 0.000000 O\n0.250000 0.750001 0.000000 O\n",
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{
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"updated_at": "2022-09-04T14:36:39.086748Z",
"structure_string": "Sr2 Fe2 As2 F2\n1.0\n3.985701 0.000000 -0.000000\n0.000000 3.985701 0.000000\n0.000000 -0.000000 8.751672\nSr Fe As F\n2 2 2 2\ndirect\n0.750000 0.750000 0.666446 Sr\n0.250000 0.250000 0.333554 Sr\n0.250000 0.750000 0.000000 Fe\n0.750000 0.250000 0.000000 Fe\n0.750000 0.750000 0.140528 As\n0.250000 0.250000 0.859472 As\n0.250000 0.750000 0.500000 F\n0.750000 0.250000 0.500000 F\n",
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"elements": [
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"density_atomic": 0.05754260557624283,
"volume": 139.0274201156942,
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"formula_full": "Sr2 Fe2 As2 F2",
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"spacegroup": 129
},
{
"id": "jvasp-18257",
"created_at": "2022-09-04T14:38:09.625464Z",
"updated_at": "2022-09-04T14:38:09.625488Z",
"structure_string": "Ce2 Zn2 Sb2 O2\n1.0\n4.145998 0.000000 -0.000000\n0.000000 4.145998 0.000000\n-0.000000 0.000000 9.579562\nCe Zn Sb O\n2 2 2 2\ndirect\n0.500000 0.000000 0.378969 Ce\n0.000000 0.500000 0.621031 Ce\n0.500000 0.500000 0.000000 Zn\n0.000000 0.000000 0.000000 Zn\n0.000000 0.500000 0.189659 Sb\n0.500000 0.000000 0.810341 Sb\n0.000000 0.000000 0.500000 O\n0.500000 0.500000 0.500000 O\n",
"nsites": 8,
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"elements": [
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],
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"density": 6.923557958333613,
"density_atomic": 0.04858320459596999,
"volume": 164.66595949217407,
"volume_molar": 12.395519830529128,
"formula_full": "Ce2 Zn2 Sb2 O2",
"formula_reduced": "CeZnSbO",
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"spacegroup": 129
},
{
"id": "jvasp-18060",
"created_at": "2022-09-04T14:38:14.306193Z",
"updated_at": "2022-09-04T14:38:14.306220Z",
"structure_string": "Ce2 P2 Ru2 O2\n1.0\n4.021147 0.000000 0.000000\n0.000000 4.021147 0.000000\n0.000000 0.000000 7.956631\nCe P Ru O\n2 2 2 2\ndirect\n0.500000 0.000000 0.848235 Ce\n0.000000 0.500000 0.151765 Ce\n0.000000 0.500000 0.649853 P\n0.500000 0.000000 0.350147 P\n0.500000 0.500000 0.500000 Ru\n0.000000 0.000000 0.500000 Ru\n0.000000 0.000000 0.000000 O\n0.500000 0.500000 0.000000 O\n",
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"elements": [
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],
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"volume": 128.65572517650162,
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"formula_full": "Ce2 P2 Ru2 O2",
"formula_reduced": "CePRuO",
"formula_anonymous": "ABCD",
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"spacegroup": 129
},
{
"id": "jvasp-110133",
"created_at": "2022-09-04T14:38:14.657331Z",
"updated_at": "2022-09-04T14:38:14.657349Z",
"structure_string": "Y1 In1 Pd1 Au1\n1.0\n4.219982 -0.000000 2.436408\n1.406661 3.978637 2.436408\n-0.000000 -0.000000 4.872816\nY In Pd Au\n1 1 1 1\ndirect\n0.000000 0.000000 0.000000 Y\n0.500000 0.500000 0.500001 In\n0.250000 0.250000 0.250000 Pd\n0.749999 0.750001 0.750001 Au\n",
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],
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{
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"created_at": "2022-09-04T14:38:28.614357Z",
"updated_at": "2022-09-04T14:38:28.614382Z",
"structure_string": "U2 Cu2 P2 O2\n1.0\n3.762306 0.000000 0.000000\n0.000000 3.762306 -0.000000\n0.000000 0.000000 8.300150\nU Cu P O\n2 2 2 2\ndirect\n0.500001 0.000000 0.336746 U\n0.000000 0.500001 0.663254 U\n0.500001 0.500001 0.000000 Cu\n0.000000 0.000000 0.000000 Cu\n0.000000 0.500001 0.179436 P\n0.500001 0.000000 0.820564 P\n0.000000 0.000000 0.500000 O\n0.500001 0.500001 0.500000 O\n",
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"density_atomic": 0.06809195691231645,
"volume": 117.48817867434445,
"volume_molar": 8.844129370161657,
"formula_full": "U2 Cu2 P2 O2",
"formula_reduced": "UCuPO",
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"spacegroup": 129
},
{
"id": "jvasp-109125",
"created_at": "2022-09-04T14:38:10.204106Z",
"updated_at": "2022-09-04T14:38:10.204128Z",
"structure_string": "Zn1 Ga1 P1 S1\n1.0\n3.706157 0.002453 5.599429\n1.687050 3.299920 5.599429\n0.004006 0.002453 6.714849\nZn Ga P S\n1 1 1 1\ndirect\n0.001775 0.001775 0.001775 Zn\n0.498840 0.498838 0.498838 Ga\n0.125862 0.125861 0.125861 P\n0.623527 0.623525 0.623526 S\n",
"nsites": 4,
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"elements": [
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],
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"density": 4.013382208120578,
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"formula_full": "Zn1 Ga1 P1 S1",
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},
{
"id": "jvasp-109153",
"created_at": "2022-09-04T14:38:19.707347Z",
"updated_at": "2022-09-04T14:38:19.707372Z",
"structure_string": "Pr1 Th1 C1 N1\n1.0\n3.592197 -0.001216 5.379184\n1.630079 3.201050 5.379184\n-0.001985 -0.001216 6.468346\nPr Th C N\n1 1 1 1\ndirect\n0.749155 0.749153 0.749155 Pr\n0.248271 0.248271 0.248271 Th\n0.995513 0.995509 0.995512 C\n0.507064 0.507061 0.507063 N\n",
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],
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"formula_full": "Pr1 Th1 C1 N1",
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},
{
"id": "jvasp-53273",
"created_at": "2022-09-04T14:38:29.351271Z",
"updated_at": "2022-09-04T14:38:29.351301Z",
"structure_string": "Cu2 C2 S2 N2\n1.0\n3.783844 0.019096 10.583023\n1.850763 3.300381 10.583023\n0.032415 0.019096 11.239074\nCu C S N\n2 2 2 2\ndirect\n0.000838 0.000838 0.000838 Cu\n0.500837 0.500839 0.500837 Cu\n0.093603 0.093603 0.093603 C\n0.593602 0.593604 0.593603 C\n0.143791 0.143791 0.143791 S\n0.643790 0.643792 0.643790 S\n0.558107 0.558109 0.558108 N\n0.058108 0.058108 0.058108 N\n",
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{
"id": "jvasp-109798",
"created_at": "2022-09-04T14:38:20.182059Z",
"updated_at": "2022-09-04T14:38:20.182084Z",
"structure_string": "Ag1 Sb1 Se1 S1\n1.0\n3.968810 0.000000 0.000000\n0.000000 3.968810 0.000000\n0.000000 0.000000 5.751665\nAg Sb Se S\n1 1 1 1\ndirect\n0.000000 0.000000 0.000000 Ag\n0.500000 0.500000 0.500000 Sb\n0.500000 0.500000 -0.000000 Se\n0.000000 0.000000 0.500000 S\n",
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{
"id": "jvasp-109402",
"created_at": "2022-09-04T14:38:19.080500Z",
"updated_at": "2022-09-04T14:38:19.080528Z",
"structure_string": "Ga2 Ag2 Te2 Se2\n1.0\n5.688247 0.022016 -4.607083\n-1.260515 5.442686 -4.729706\n0.032202 -0.022016 7.319859\nGa Ag Te Se\n2 2 2 2\ndirect\n0.130922 0.880923 0.250000 Ga\n0.369077 0.619077 0.750000 Ga\n0.639401 0.389401 0.250000 Ag\n0.860599 0.110599 0.750001 Ag\n0.250000 0.510323 0.260323 Te\n0.750000 0.989678 0.239677 Te\n0.466242 0.250000 0.716243 Se\n0.033756 0.750000 0.783757 Se\n",
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}