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{
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"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-chemical_system&page=104",
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"results": [
{
"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",
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"spacegroup": 141
},
{
"id": "mp-1435",
"created_at": "2022-09-04T14:48:14.256829Z",
"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,
"nelements": 2,
"elements": [
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],
"chemical_system": "Sr-Zn",
"density": 5.826695450863321,
"density_atomic": 0.050772329735391204,
"volume": 472.6984191011159,
"volume_molar": 11.861068403568302,
"formula_full": "Sr4 Zn20",
"formula_reduced": "SrZn5",
"formula_anonymous": "AB5",
"energy": -37.29523562,
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"updated_at": "2021-11-28T01:38:41.401000Z",
"spacegroup": 62
},
{
"id": "mp-13365",
"created_at": "2022-09-04T14:44:55.206574Z",
"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",
"nsites": 12,
"nelements": 2,
"elements": [
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],
"chemical_system": "Sr-Zn",
"density": 5.2403445966289794,
"density_atomic": 0.043341487473852,
"volume": 276.87097742641214,
"volume_molar": 13.89463332017197,
"formula_full": "Sr4 Zn8",
"formula_reduced": "SrZn2",
"formula_anonymous": "AB2",
"energy": -19.10953286,
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"updated_at": "2021-11-28T01:36:48.471000Z",
"spacegroup": 194
},
{
"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",
"nsites": 4,
"nelements": 2,
"elements": [
"Sr",
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],
"chemical_system": "Sr-Zn",
"density": 3.3124633658993146,
"density_atomic": 0.02430704167458115,
"volume": 164.56136676570398,
"volume_molar": 24.775292858026383,
"formula_full": "Sr3 Zn1",
"formula_reduced": "Sr3Zn",
"formula_anonymous": "AB3",
"energy": -6.00165737,
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"updated_at": "2021-11-28T01:35:02.026000Z",
"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,
"nelements": 2,
"elements": [
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"Yb"
],
"chemical_system": "Sr-Yb",
"density": 4.4727852084967,
"density_atomic": 0.02066733839033338,
"volume": 96.77104822241886,
"volume_molar": 29.13844369440771,
"formula_full": "Sr1 Yb1",
"formula_reduced": "SrYb",
"formula_anonymous": "AB",
"energy": -3.12770747,
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"energy_uncorrected": -3.12770747,
"band_gap": 0.0,
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"total_magnetization": 0.0001655,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:29.004000Z",
"spacegroup": 187
},
{
"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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"density": 5.777273659430407,
"density_atomic": 0.022936714373968048,
"volume": 174.39289406419027,
"volume_molar": 26.255463889958058,
"formula_full": "Sr1 Yb3",
"formula_reduced": "SrYb3",
"formula_anonymous": "AB3",
"energy": -6.19970281,
"energy_per_atom": -1.5499257025,
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"energy_uncorrected": -6.19970281,
"band_gap": 0.0,
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"updated_at": "2021-11-28T01:35:44.782000Z",
"spacegroup": 221
},
{
"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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"elements": [
"Sr",
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],
"chemical_system": "Sr-Yb",
"density": 3.498329947307959,
"density_atomic": 0.019332356388981297,
"volume": 413.81401413433974,
"volume_molar": 31.150578019720292,
"formula_full": "Sr6 Yb2",
"formula_reduced": "Sr3Yb",
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"energy": -12.88675582,
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"energy_above_hull": null,
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"energy_uncorrected": -12.88675582,
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"updated_at": "2021-11-28T01:34:27.236000Z",
"spacegroup": 194
},
{
"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",
"nsites": 4,
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"density": 3.594172473743844,
"density_atomic": 0.019861998219851115,
"volume": 201.3896062080094,
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"energy": -6.47703761,
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"updated_at": "2021-11-28T01:36:46.458000Z",
"spacegroup": 225
},
{
"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",
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"spacegroup": 225
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{
"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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"updated_at": "2021-11-28T01:38:42.745000Z",
"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",
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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
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{
"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",
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"density": 5.2707534823436815,
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"volume": 140.7318334152842,
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"updated_at": "2021-11-28T01:37:29.165000Z",
"spacegroup": 225
}
]
}