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"id": "jvasp-99752",
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"updated_at": "2022-09-04T14:36:11.137682Z",
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{
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{
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"structure_string": "Mg6 Al1 Cd1\n1.0\n6.239797 -0.022038 0.000000\n-3.138983 5.392803 0.000000\n0.000000 0.000000 5.151614\nMg Al Cd\n6 1 1\ndirect\n0.163858 0.838572 0.250000 Mg\n0.661428 0.336142 0.250000 Mg\n0.665575 0.834424 0.250000 Mg\n0.334747 0.658387 0.749999 Mg\n0.841613 0.165252 0.749999 Mg\n0.834057 0.665943 0.749999 Mg\n0.158443 0.341557 0.250000 Al\n0.340281 0.159719 0.749999 Cd\n",
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"volume": 172.99541767121542,
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"formula_full": "Mg6 Al1 Cd1",
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{
"id": "jvasp-63031",
"created_at": "2022-09-04T14:36:11.140725Z",
"updated_at": "2022-09-04T14:36:11.140751Z",
"structure_string": "Ce1 Si2 Au2\n1.0\n-2.178421 2.178421 5.086108\n2.178421 -2.178421 5.086108\n2.178421 2.178421 -5.086108\nCe Si Au\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ce\n0.614472 0.614472 0.000000 Si\n0.385529 0.385529 0.000000 Si\n0.750000 0.250000 0.500000 Au\n0.250000 0.750000 0.500000 Au\n",
"nsites": 5,
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"elements": [
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"volume": 96.54486933893392,
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"formula_full": "Ce1 Si2 Au2",
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"spacegroup": 139
},
{
"id": "jvasp-65759",
"created_at": "2022-09-04T14:36:11.142241Z",
"updated_at": "2022-09-04T14:36:11.142251Z",
"structure_string": "Ba1 Ti4 Br1\n1.0\n0.000000 4.239039 4.239039\n4.239039 -0.000000 4.239039\n4.239039 4.239039 0.000000\nBa Ti Br\n1 4 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.169384 0.610205 0.610205 Ti\n0.610205 0.610205 0.610205 Ti\n0.610205 0.169384 0.610205 Ti\n0.610205 0.610205 0.169384 Ti\n0.000000 0.000000 0.000000 Br\n",
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"formula_full": "Ba1 Ti4 Br1",
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},
{
"id": "jvasp-74004",
"created_at": "2022-09-04T14:36:11.147739Z",
"updated_at": "2022-09-04T14:36:11.147750Z",
"structure_string": "Li1 Be1 Ni2\n1.0\n2.623710 0.000000 0.000000\n0.000000 2.623710 -0.000000\n0.000000 0.000000 6.113401\nLi Be Ni\n1 1 2\ndirect\n0.500000 0.500000 0.743589 Li\n0.000000 0.000000 0.462980 Be\n0.000000 0.000000 0.011697 Ni\n0.500000 0.500000 0.281733 Ni\n",
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"elements": [
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{
"id": "jvasp-69294",
"created_at": "2022-09-04T14:36:11.155068Z",
"updated_at": "2022-09-04T14:36:11.155093Z",
"structure_string": "Ba1 Y1 Sb2\n1.0\n6.050674 -0.000000 -0.000000\n-0.000000 6.050674 0.000000\n0.000000 0.000000 3.442315\nBa Y Sb\n1 1 2\ndirect\n0.000000 0.000000 0.499999 Ba\n0.500000 0.500000 0.499999 Y\n0.500000 0.000000 0.000000 Sb\n0.000000 0.500000 0.000000 Sb\n",
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{
"id": "jvasp-75014",
"created_at": "2022-09-04T14:36:11.160134Z",
"updated_at": "2022-09-04T14:36:11.160162Z",
"structure_string": "Be1 Zn1 Pd1\n1.0\n1.397331 -2.420248 0.000000\n1.397331 2.420248 -0.000000\n0.000000 -0.000000 5.849222\nBe Zn Pd\n1 1 1\ndirect\n0.000000 0.000000 0.984811 Be\n0.666667 0.333333 0.319056 Zn\n0.333333 0.666667 0.696132 Pd\n",
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"spacegroup": 156
},
{
"id": "jvasp-94827",
"created_at": "2022-09-04T14:36:11.162480Z",
"updated_at": "2022-09-04T14:36:11.162502Z",
"structure_string": "Mg1 Mn2 O4\n1.0\n-1.435023 -2.502762 -0.000515\n0.102106 -0.057615 -5.165254\n3.934268 -2.256126 1.595704\nMg Mn O\n1 2 4\ndirect\n0.500002 0.499997 0.999988 Mg\n0.000000 0.000002 0.000007 Mn\n0.499999 -0.000006 0.499993 Mn\n0.499992 0.215189 0.227967 O\n-0.000007 0.232154 0.748925 O\n0.000008 0.767834 0.251071 O\n0.500007 0.784818 0.772041 O\n",
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"spacegroup": 10
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{
"id": "jvasp-14637",
"created_at": "2022-09-04T14:36:11.169207Z",
"updated_at": "2022-09-04T14:36:11.169227Z",
"structure_string": "Pu1 C1\n1.0\n3.057325 -0.000000 1.765147\n1.019108 2.882474 1.765147\n-0.000000 -0.000000 3.530295\nPu C\n1 1\ndirect\n0.500000 0.499999 0.500000 Pu\n0.000000 0.000000 0.000000 C\n",
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{
"id": "jvasp-74350",
"created_at": "2022-09-04T14:36:11.169624Z",
"updated_at": "2022-09-04T14:36:11.169641Z",
"structure_string": "Mg1 Be2 Sn1\n1.0\n-1.975431 1.975431 4.097342\n1.975431 -1.975431 4.097342\n1.975431 1.975431 -4.097342\nMg Be Sn\n1 2 1\ndirect\n0.500000 0.500000 0.000000 Mg\n0.000000 0.000000 0.000000 Be\n0.250000 0.750000 0.500000 Be\n0.750000 0.250000 0.500000 Sn\n",
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{
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"structure_string": "Be1 Nb4 Pd1\n1.0\n0.000000 3.769606 3.769606\n3.769606 -0.000000 3.769606\n3.769606 3.769606 0.000000\nBe Nb Pd\n1 4 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.374019 0.374019 0.374019 Nb\n0.374019 0.877947 0.374019 Nb\n0.374019 0.374019 0.877947 Nb\n0.877947 0.374019 0.374019 Nb\n0.750001 0.750001 0.750001 Pd\n",
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