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{
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"formula_full": "Al8 Sn4 Cl24 O4",
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{
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"structure_string": "Al4 S6 O24\n1.0\n7.591506 -4.070878 0.000000\n7.591506 4.070878 0.000000\n5.408533 0.000000 6.704534\nAl S O\n4 6 24\ndirect\n0.144191 0.144191 0.144191 Al\n0.855809 0.855809 0.855809 Al\n0.351663 0.351663 0.351663 Al\n0.648337 0.648337 0.648337 Al\n0.539263 0.963321 0.248675 S\n0.248675 0.539263 0.963321 S\n0.963321 0.248674 0.539263 S\n0.751325 0.460737 0.036679 S\n0.460737 0.036679 0.751325 S\n0.036679 0.751325 0.460737 S\n0.187726 0.549251 0.470450 O\n0.470450 0.187726 0.549251 O\n0.549251 0.470450 0.187726 O\n0.812274 0.450749 0.529550 O\n0.529550 0.812274 0.450749 O\n0.450749 0.529550 0.812274 O\n0.106894 0.899342 0.266683 O\n0.266683 0.106894 0.899342 O\n0.899342 0.266683 0.106894 O\n0.893106 0.100658 0.733317 O\n0.209540 0.377138 0.991586 O\n0.377138 0.991586 0.209540 O\n0.991586 0.209540 0.377138 O\n0.790460 0.622862 0.008414 O\n0.622862 0.008414 0.790460 O\n0.008414 0.790460 0.622862 O\n0.232309 0.518941 0.153914 O\n0.518941 0.153914 0.232309 O\n0.153914 0.232309 0.518941 O\n0.767691 0.481059 0.846086 O\n0.481059 0.846086 0.767691 O\n0.846086 0.767691 0.481059 O\n0.100658 0.733317 0.893106 O\n0.733317 0.893106 0.100658 O\n",
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"formula_full": "Al4 S6 O24",
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{
"id": "mp-1183257",
"created_at": "2022-09-04T14:41:01.423455Z",
"structure_string": "Al2 Tc2 O5\n1.0\n3.574968 0.000000 0.000000\n0.000000 3.574968 0.000000\n0.000000 0.000000 7.395679\nAl Tc O\n2 2 5\ndirect\n0.500000 0.500000 0.248083 Al\n0.500000 0.500000 0.751917 Al\n0.000000 0.000000 0.000000 Tc\n0.000000 0.000000 0.500000 Tc\n0.500000 0.000000 0.174653 O\n0.500000 0.000000 0.825347 O\n0.000000 0.500000 0.174653 O\n0.000000 0.500000 0.825347 O\n0.500000 0.500000 0.500000 O\n",
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"formula_full": "Al2 Tc2 O5",
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"formula_anonymous": "A2B2C5",
"energy": -69.14909191,
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{
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"created_at": "2022-09-04T14:46:56.694559Z",
"structure_string": "Al2 Tc1 Au1\n1.0\n-4.929175 5.284733 7.472882\n4.929175 -5.284733 7.472882\n4.929175 5.284733 -7.472882\nAl Tc Au\n2 1 1\ndirect\n0.000000 0.247971 0.247971 Al\n0.000000 0.752029 0.752029 Al\n0.000000 0.000000 0.000000 Tc\n0.000000 0.500000 0.500000 Au\n",
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"formula_full": "Al2 Tc1 Au1",
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{
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"structure_string": "Al2 Tc1 Ir1\n1.0\n-4.814142 5.244607 7.374011\n4.814142 -5.244607 7.374011\n4.814142 5.244607 -7.374011\nAl Tc Ir\n2 1 1\ndirect\n0.000000 0.252800 0.252800 Al\n0.000000 0.747200 0.747200 Al\n0.000000 0.000000 0.000000 Tc\n0.000000 0.500000 0.500000 Ir\n",
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{
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{
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{
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{
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"structure_string": "Al2 Tc1 Pd1\n1.0\n0.000000 3.045589 3.045589\n3.045589 0.000000 3.045589\n3.045589 3.045589 0.000000\nAl Tc Pd\n2 1 1\ndirect\n0.750000 0.750000 0.750000 Al\n0.250000 0.250000 0.250000 Al\n0.000000 0.000000 0.000000 Tc\n0.500000 0.500000 0.500000 Pd\n",
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{
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{
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]
}