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"results": [
{
"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",
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"spacegroup": 141
},
{
"id": "mp-1211218",
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"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,
"nelements": 2,
"elements": [
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],
"chemical_system": "Sr-Zn",
"density": 4.3516045769817016,
"density_atomic": 0.0367380695838427,
"volume": 816.5916266105042,
"volume_molar": 16.39209906295273,
"formula_full": "Sr8 Zn22",
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"updated_at": "2021-11-28T01:38:29.570000Z",
"spacegroup": 141
},
{
"id": "mp-1218673",
"created_at": "2022-09-04T14:47:36.357992Z",
"structure_string": "Sr4 Zn51\n1.0\n14.310878 -4.362261 0.000000\n14.310878 4.362261 0.000000\n12.981168 0.000000 7.437730\nSr Zn\n4 51\ndirect\n0.875002 0.875002 0.875002 Sr\n0.375596 0.375596 0.375596 Sr\n0.124998 0.124998 0.124998 Sr\n0.624404 0.624404 0.624404 Sr\n0.718139 0.479766 0.081934 Zn\n0.219018 0.979041 0.580717 Zn\n0.400891 0.158826 0.039198 Zn\n0.900599 0.659750 0.539758 Zn\n0.281861 0.520234 0.918066 Zn\n0.780982 0.020959 0.419283 Zn\n0.599109 0.841174 0.960802 Zn\n0.099401 0.340250 0.460242 Zn\n0.822189 0.237427 0.469022 Zn\n0.331869 0.729775 0.967623 Zn\n0.295195 0.413797 0.645032 Zn\n0.789628 0.907608 0.151347 Zn\n0.704805 0.586203 0.354968 Zn\n0.210372 0.092392 0.848653 Zn\n0.177811 0.762573 0.530978 Zn\n0.668131 0.270225 0.032377 Zn\n0.158826 0.039198 0.400891 Zn\n0.659750 0.539758 0.900599 Zn\n0.479766 0.081934 0.718139 Zn\n0.979041 0.580717 0.219018 Zn\n0.841174 0.960802 0.599109 Zn\n0.340250 0.460242 0.099401 Zn\n0.520234 0.918066 0.281861 Zn\n0.020959 0.419283 0.780982 Zn\n0.413797 0.645032 0.295195 Zn\n0.907608 0.151347 0.789628 Zn\n0.237427 0.469022 0.822189 Zn\n0.729775 0.967623 0.331869 Zn\n0.762573 0.530978 0.177811 Zn\n0.270225 0.032377 0.668131 Zn\n0.586203 0.354968 0.704805 Zn\n0.092392 0.848653 0.210372 Zn\n0.918066 0.281861 0.520234 Zn\n0.419283 0.780982 0.020959 Zn\n0.960802 0.599109 0.841174 Zn\n0.460242 0.099401 0.340250 Zn\n0.081934 0.718139 0.479766 Zn\n0.580717 0.219018 0.979041 Zn\n0.039198 0.400891 0.158826 Zn\n0.539758 0.900599 0.659750 Zn\n0.354968 0.704805 0.586203 Zn\n0.848653 0.210372 0.092392 Zn\n0.530978 0.177811 0.762573 Zn\n0.032377 0.668131 0.270225 Zn\n0.469022 0.822189 0.237427 Zn\n0.967623 0.331869 0.729775 Zn\n0.645032 0.295195 0.413797 Zn\n0.151347 0.789628 0.907608 Zn\n0.000000 0.000000 0.000000 Zn\n0.750071 0.750071 0.750071 Zn\n0.249929 0.249929 0.249929 Zn\n",
"nsites": 55,
"nelements": 2,
"elements": [
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"chemical_system": "Sr-Zn",
"density": 6.5916788188473285,
"density_atomic": 0.05922626686813119,
"volume": 928.6420182865639,
"volume_molar": 10.168023545040331,
"formula_full": "Sr4 Zn51",
"formula_reduced": "Sr4Zn51",
"formula_anonymous": "A4B51",
"energy": -79.99826991,
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"energy_uncorrected": -79.99826991,
"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:38:19.720000Z",
"spacegroup": 148
},
{
"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,
"nelements": 2,
"elements": [
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],
"chemical_system": "Sr-Zn",
"density": 3.97895525882099,
"density_atomic": 0.0313167159880061,
"volume": 255.45462694951465,
"volume_molar": 19.22979651604083,
"formula_full": "Sr4 Zn4",
"formula_reduced": "SrZn",
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"energy_above_hull": null,
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"updated_at": "2021-11-28T01:34:34.565000Z",
"spacegroup": 62
},
{
"id": "mp-1186774",
"created_at": "2022-09-04T14:42:18.403035Z",
"structure_string": "Sr1 Yb3\n1.0\n5.586969 0.000000 0.000000\n0.000000 5.586969 0.000000\n0.000000 0.000000 5.586969\nSr Yb\n1 3\ndirect\n0.000000 0.000000 0.000000 Sr\n0.000000 0.500000 0.500000 Yb\n0.500000 0.000000 0.500000 Yb\n0.500000 0.500000 0.000000 Yb\n",
"nsites": 4,
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"elements": [
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"density": 5.777273659430407,
"density_atomic": 0.022936714373968048,
"volume": 174.39289406419027,
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"formula_full": "Sr1 Yb3",
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:35:44.782000Z",
"spacegroup": 221
},
{
"id": "mp-1186775",
"created_at": "2022-09-04T14:44:05.868327Z",
"structure_string": "Sr1 Yb1\n1.0\n2.067619 -3.581222 0.000000\n2.067619 3.581222 0.000000\n0.000000 0.000000 6.534520\nSr Yb\n1 1\ndirect\n0.333333 0.666667 0.500000 Sr\n0.000000 0.000000 0.000000 Yb\n",
"nsites": 2,
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"elements": [
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"density": 4.4727852084967,
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"volume": 96.77104822241886,
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"formula_full": "Sr1 Yb1",
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"updated_at": "2021-11-28T01:36:29.004000Z",
"spacegroup": 187
},
{
"id": "mp-981378",
"created_at": "2022-09-04T14:44:42.720953Z",
"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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"volume": 201.3896062080094,
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"updated_at": "2021-11-28T01:36:46.458000Z",
"spacegroup": 225
},
{
"id": "mp-1186780",
"created_at": "2022-09-04T14:48:14.648293Z",
"structure_string": "Sr2 Yb6\n1.0\n3.982399 -6.897718 0.000000\n3.982399 6.897718 0.000000\n0.000000 0.000000 6.484718\nSr Yb\n2 6\ndirect\n0.333333 0.666667 0.750000 Sr\n0.666667 0.333333 0.250000 Sr\n0.164176 0.328351 0.250000 Yb\n0.671649 0.835824 0.250000 Yb\n0.164176 0.835824 0.250000 Yb\n0.835824 0.671649 0.750000 Yb\n0.328351 0.164176 0.750000 Yb\n0.835824 0.164176 0.750000 Yb\n",
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"volume": 356.2634717148918,
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"formula_full": "Sr2 Yb6",
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"updated_at": "2021-11-28T01:38:42.745000Z",
"spacegroup": 194
},
{
"id": "mp-1186771",
"created_at": "2022-09-04T14:40:23.458763Z",
"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",
"nsites": 4,
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"density": 5.952357180798013,
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"volume": 169.26327548337912,
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"formula_full": "Sr1 Yb3",
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"energy": -6.138987,
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"updated_at": "2021-11-28T01:34:51.634000Z",
"spacegroup": 225
},
{
"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",
"nsites": 8,
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"formula_full": "Sr6 Yb2",
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"updated_at": "2021-11-28T01:34:27.236000Z",
"spacegroup": 194
},
{
"id": "mp-1186769",
"created_at": "2022-09-04T14:43:56.007979Z",
"structure_string": "Sr1 Y1\n1.0\n1.914037 -3.315209 0.000000\n1.914037 3.315209 0.000000\n0.000000 0.000000 6.379694\nSr Y\n1 1\ndirect\n0.666667 0.333333 0.500000 Sr\n0.333333 0.666667 0.000000 Y\n",
"nsites": 2,
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"elements": [
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"density": 3.620481421143926,
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"volume": 80.96383770342756,
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"updated_at": "2021-11-28T01:36:22.947000Z",
"spacegroup": 187
},
{
"id": "mp-1187144",
"created_at": "2022-09-04T14:46:22.868750Z",
"structure_string": "Sr3 W1\n1.0\n0.000000 4.128454 4.128454\n4.128454 0.000000 4.128454\n4.128454 4.128454 0.000000\nSr W\n3 1\ndirect\n0.750000 0.750000 0.750000 Sr\n0.250000 0.250000 0.250000 Sr\n0.500000 0.500000 0.500000 Sr\n0.000000 0.000000 0.000000 W\n",
"nsites": 4,
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"elements": [
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],
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"density": 5.2707534823436815,
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"volume": 140.7318334152842,
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"formula_full": "Sr3 W1",
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"updated_at": "2021-11-28T01:37:29.165000Z",
"spacegroup": 225
}
]
}