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{
"id": "mp-981378",
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"structure_string": "Sr3 Yb1\n1.0\n0.000000 4.652314 4.652314\n4.652314 0.000000 4.652314\n4.652314 4.652314 0.000000\nSr Yb\n3 1\ndirect\n0.250000 0.250000 0.250000 Sr\n0.750000 0.750000 0.750000 Sr\n0.500000 0.500000 0.500000 Sr\n0.000000 0.000000 0.000000 Yb\n",
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{
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"structure_string": "Sr1 Yb3\n1.0\n0.000000 4.390469 4.390469\n4.390469 0.000000 4.390469\n4.390469 4.390469 0.000000\nSr Yb\n1 3\ndirect\n0.000000 0.000000 0.000000 Sr\n0.250000 0.250000 0.250000 Yb\n0.750000 0.750000 0.750000 Yb\n0.500000 0.500000 0.500000 Yb\n",
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{
"id": "mp-1187163",
"created_at": "2022-09-04T14:39:21.207768Z",
"structure_string": "Sr6 Yb2\n1.0\n4.185441 -7.249397 0.000000\n4.185441 7.249397 0.000000\n0.000000 0.000000 6.819179\nSr Yb\n6 2\ndirect\n0.168274 0.336548 0.250000 Sr\n0.663452 0.831726 0.250000 Sr\n0.168274 0.831726 0.250000 Sr\n0.831726 0.663452 0.750000 Sr\n0.336548 0.168274 0.750000 Sr\n0.831726 0.168274 0.750000 Sr\n0.333333 0.666667 0.750000 Yb\n0.666667 0.333333 0.250000 Yb\n",
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"spacegroup": 194
},
{
"id": "mp-12724",
"created_at": "2022-09-04T14:39:32.326649Z",
"structure_string": "Sr4 Zn4\n1.0\n4.600355 0.000000 0.000000\n0.000000 6.390208 0.000000\n0.000000 0.000000 8.689753\nSr Zn\n4 4\ndirect\n0.750000 0.883489 0.821618 Sr\n0.250000 0.116511 0.178382 Sr\n0.250000 0.383489 0.678382 Sr\n0.750000 0.616511 0.321618 Sr\n0.750000 0.101259 0.472106 Zn\n0.250000 0.898741 0.527894 Zn\n0.250000 0.601259 0.027894 Zn\n0.750000 0.398741 0.972106 Zn\n",
"nsites": 8,
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"elements": [
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"density": 3.97895525882099,
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"volume": 255.45462694951465,
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"formula_full": "Sr4 Zn4",
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"updated_at": "2021-11-28T01:34:34.565000Z",
"spacegroup": 62
},
{
"id": "mp-569426",
"created_at": "2022-09-04T14:39:29.464743Z",
"structure_string": "Sr2 Zn4\n1.0\n-2.390177 3.900406 3.920878\n2.390177 -3.900406 3.920878\n2.390177 3.900406 -3.920878\nSr Zn\n2 4\ndirect\n0.298900 0.048900 0.250000 Sr\n0.701100 0.951100 0.750000 Sr\n0.728144 0.664980 0.063164 Zn\n0.271856 0.335020 0.936836 Zn\n0.101816 0.664980 0.436836 Zn\n0.898184 0.335020 0.563164 Zn\n",
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"formula_full": "Sr2 Zn4",
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"energy": -9.85012617,
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"updated_at": "2021-11-28T01:34:35.348000Z",
"spacegroup": 74
},
{
"id": "mp-672707",
"created_at": "2022-09-04T14:39:35.856269Z",
"structure_string": "Sr2 Zn26\n1.0\n0.000000 6.145593 6.145593\n6.145593 0.000000 6.145593\n6.145593 6.145593 0.000000\nSr Zn\n2 26\ndirect\n0.250000 0.250000 0.250000 Sr\n0.750000 0.750000 0.750000 Sr\n0.940402 0.300391 0.059598 Zn\n0.559598 0.440402 0.199609 Zn\n0.059598 0.940402 0.300391 Zn\n0.300391 0.059598 0.940402 Zn\n0.699609 0.300391 0.940402 Zn\n0.199609 0.559598 0.440402 Zn\n0.940402 0.059598 0.699609 Zn\n0.199609 0.440402 0.800391 Zn\n0.940402 0.699609 0.300391 Zn\n0.440402 0.199609 0.559598 Zn\n0.559598 0.800391 0.440402 Zn\n0.440402 0.800391 0.199609 Zn\n0.199609 0.800391 0.559598 Zn\n0.699609 0.940402 0.059598 Zn\n0.300391 0.940402 0.699609 Zn\n0.800391 0.199609 0.440402 Zn\n0.559598 0.199609 0.800391 Zn\n0.059598 0.300391 0.699609 Zn\n0.800391 0.440402 0.559598 Zn\n0.699609 0.059598 0.300391 Zn\n0.800391 0.559598 0.199609 Zn\n0.300391 0.699609 0.059598 Zn\n0.440402 0.559598 0.800391 Zn\n0.059598 0.699609 0.940402 Zn\n0.500000 0.500000 0.500000 Zn\n0.000000 0.000000 0.000000 Zn\n",
"nsites": 28,
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"elements": [
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"Zn"
],
"chemical_system": "Sr-Zn",
"density": 6.710136894844653,
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"volume": 464.21736394266566,
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"formula_full": "Sr2 Zn26",
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"energy": -40.86949427,
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"updated_at": "2021-11-28T01:34:28.073000Z",
"spacegroup": 226
},
{
"id": "mp-1211218",
"created_at": "2022-09-04T14:48:08.215551Z",
"structure_string": "Sr8 Zn22\n1.0\n0.000000 0.000000 20.313264\n-4.483298 4.483298 10.156632\n-4.483298 -4.483298 10.156632\nSr Zn\n8 22\ndirect\n0.457485 0.279674 0.720326 Sr\n0.457485 0.720326 0.279674 Sr\n0.427811 0.779674 0.779674 Sr\n0.792516 0.779674 0.220326 Sr\n0.792516 0.220326 0.779674 Sr\n0.987158 0.220326 0.220326 Sr\n0.822189 0.720326 0.720326 Sr\n0.262842 0.279674 0.279674 Sr\n0.291482 0.909375 0.625856 Zn\n0.826714 0.090625 0.374144 Zn\n0.167338 0.874144 0.409375 Zn\n0.958518 0.874144 0.590625 Zn\n0.958518 0.590625 0.874144 Zn\n0.450857 0.125856 0.590625 Zn\n0.423286 0.125856 0.409375 Zn\n0.423286 0.409375 0.125856 Zn\n0.082662 0.090625 0.625856 Zn\n0.082662 0.625856 0.090625 Zn\n0.799143 0.909375 0.374144 Zn\n0.799143 0.374144 0.909375 Zn\n0.291482 0.625856 0.909375 Zn\n0.826714 0.374144 0.090625 Zn\n0.450857 0.590625 0.125856 Zn\n0.167338 0.409375 0.874144 Zn\n0.000000 0.000000 0.000000 Zn\n0.250000 0.500000 0.500000 Zn\n0.125000 0.750000 0.250000 Zn\n0.125000 0.250000 0.750000 Zn\n0.625000 0.250000 0.250000 Zn\n0.125000 0.750000 0.750000 Zn\n",
"nsites": 30,
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"elements": [
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"formula_full": "Sr8 Zn22",
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"energy": -40.23538566,
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"updated_at": "2021-11-28T01:38:29.570000Z",
"spacegroup": 141
},
{
"id": "mp-638",
"created_at": "2022-09-04T14:45:07.414688Z",
"structure_string": "Sr1 Zn5\n1.0\n2.799085 -4.848157 0.000000\n2.799085 4.848157 0.000000\n0.000000 0.000000 4.236977\nSr Zn\n1 5\ndirect\n0.000000 0.000000 0.000000 Sr\n0.666667 0.333333 0.000000 Zn\n0.500000 0.000000 0.500000 Zn\n0.500000 0.500000 0.500000 Zn\n0.000000 0.500000 0.500000 Zn\n0.333333 0.666667 0.000000 Zn\n",
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"updated_at": "2021-11-28T01:36:51.265000Z",
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},
{
"id": "mp-13365",
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"structure_string": "Sr4 Zn8\n1.0\n2.968370 -5.141368 0.000000\n2.968370 5.141368 0.000000\n0.000000 0.000000 9.070907\nSr Zn\n4 8\ndirect\n0.333333 0.666667 0.447012 Sr\n0.666667 0.333333 0.947012 Sr\n0.666667 0.333333 0.552988 Sr\n0.333333 0.666667 0.052988 Sr\n0.157034 0.314068 0.750000 Zn\n0.842966 0.157034 0.250000 Zn\n0.314068 0.157034 0.250000 Zn\n0.685932 0.842966 0.750000 Zn\n0.000000 0.000000 0.000000 Zn\n0.000000 0.000000 0.500000 Zn\n0.842966 0.685932 0.250000 Zn\n0.157034 0.842966 0.750000 Zn\n",
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"elements": [
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"formula_full": "Sr4 Zn8",
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{
"id": "mp-1187138",
"created_at": "2022-09-04T14:41:04.500874Z",
"structure_string": "Sr3 Zn1\n1.0\n5.479942 0.000000 0.000000\n0.000000 5.479942 0.000000\n0.000000 0.000000 5.479942\nSr Zn\n3 1\ndirect\n0.500000 0.000000 0.500000 Sr\n0.500000 0.500000 0.000000 Sr\n0.000000 0.500000 0.500000 Sr\n0.000000 0.000000 0.000000 Zn\n",
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"energy": -6.00165737,
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"updated_at": "2021-11-28T01:35:02.026000Z",
"spacegroup": 221
},
{
"id": "mp-18026",
"created_at": "2022-09-04T14:46:22.176005Z",
"structure_string": "Sr2 Zn22\n1.0\n-5.394764 5.394764 3.451289\n5.394764 -5.394764 3.451289\n5.394764 5.394764 -3.451289\nSr Zn\n2 22\ndirect\n0.000000 0.000000 0.000000 Sr\n0.250000 0.750000 0.500000 Sr\n0.066764 0.650701 0.828321 Zn\n0.822380 0.238443 0.171679 Zn\n0.750000 0.250000 0.500000 Zn\n0.500000 0.500000 0.000000 Zn\n0.625000 0.375000 0.750000 Zn\n0.625000 0.375000 0.250000 Zn\n0.125000 0.375000 0.750000 Zn\n0.625000 0.875000 0.250000 Zn\n0.822380 0.650701 0.583937 Zn\n0.900701 0.816764 0.328321 Zn\n0.488443 0.572380 0.671679 Zn\n0.066764 0.238443 0.416063 Zn\n0.761557 0.933236 0.583937 Zn\n0.349299 0.177620 0.416063 Zn\n0.427620 0.511557 0.328321 Zn\n0.183236 0.099299 0.671679 Zn\n0.427620 0.099299 0.916063 Zn\n0.349299 0.933236 0.171679 Zn\n0.761557 0.177620 0.828321 Zn\n0.183236 0.511557 0.083937 Zn\n0.488443 0.816764 0.916063 Zn\n0.900701 0.572380 0.083937 Zn\n",
"nsites": 24,
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"elements": [
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},
{
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"structure_string": "Sr4 Zn20\n1.0\n5.232011 0.000000 0.000000\n0.000000 6.861537 0.000000\n0.000000 0.000000 13.167220\nSr Zn\n4 20\ndirect\n0.250000 0.646637 0.910507 Sr\n0.250000 0.853363 0.410507 Sr\n0.750000 0.353363 0.089493 Sr\n0.750000 0.146637 0.589493 Sr\n0.250000 0.339123 0.714059 Zn\n0.250000 0.160877 0.214059 Zn\n0.750000 0.660877 0.285941 Zn\n0.750000 0.839123 0.785941 Zn\n0.250000 0.957878 0.705595 Zn\n0.250000 0.542122 0.205595 Zn\n0.750000 0.042122 0.294405 Zn\n0.750000 0.457878 0.794405 Zn\n0.998112 0.152753 0.857111 Zn\n0.501888 0.347247 0.357111 Zn\n0.498112 0.847247 0.142889 Zn\n0.001888 0.652753 0.642889 Zn\n0.001888 0.847247 0.142889 Zn\n0.498112 0.652753 0.642889 Zn\n0.501888 0.152753 0.857111 Zn\n0.998112 0.347247 0.357111 Zn\n0.250000 0.405710 0.521808 Zn\n0.250000 0.094290 0.021808 Zn\n0.750000 0.594290 0.478192 Zn\n0.750000 0.905710 0.978192 Zn\n",
"nsites": 24,
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"formula_full": "Sr4 Zn20",
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"updated_at": "2021-11-28T01:38:41.401000Z",
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}
]
}