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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-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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"elements": [
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"density": 4.961626691887471,
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"volume": 146.2120611464162,
"volume_molar": 14.675160217224091,
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"spacegroup": 74
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{
"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",
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"elements": [
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"formula_full": "Sr4 Zn4",
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"updated_at": "2021-11-28T01:34:34.565000Z",
"spacegroup": 62
},
{
"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,
"energy_per_atom": -1.5539681508333334,
"energy_above_hull": null,
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"energy_uncorrected": -37.29523562,
"band_gap": 0.0,
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"updated_at": "2021-11-28T01:38:41.401000Z",
"spacegroup": 62
},
{
"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",
"nsites": 6,
"nelements": 2,
"elements": [
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"Zn"
],
"chemical_system": "Sr-Zn",
"density": 5.9878045113288225,
"density_atomic": 0.05217619276724085,
"volume": 114.99497532842484,
"volume_molar": 11.541932135341694,
"formula_full": "Sr1 Zn5",
"formula_reduced": "SrZn5",
"formula_anonymous": "AB5",
"energy": -9.28015981,
"energy_per_atom": -1.5466933016666669,
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"band_gap": 0.0,
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"total_magnetization": 2.98e-05,
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"updated_at": "2021-11-28T01:36:51.265000Z",
"spacegroup": 191
},
{
"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",
"nsites": 8,
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"elements": [
"Sr",
"Yb"
],
"chemical_system": "Sr-Yb",
"density": 5.656013334284082,
"density_atomic": 0.022455291196404742,
"volume": 356.2634717148918,
"volume_molar": 26.818359678916963,
"formula_full": "Sr2 Yb6",
"formula_reduced": "SrYb3",
"formula_anonymous": "AB3",
"energy": -12.23040256,
"energy_per_atom": -1.52880032,
"energy_above_hull": null,
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"band_gap": 0.0,
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"total_magnetization": 0.0090289,
"is_theoretical": true,
"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,
"nelements": 2,
"elements": [
"Sr",
"Yb"
],
"chemical_system": "Sr-Yb",
"density": 5.952357180798013,
"density_atomic": 0.023631824378778383,
"volume": 169.26327548337912,
"volume_molar": 25.48318176148915,
"formula_full": "Sr1 Yb3",
"formula_reduced": "SrYb3",
"formula_anonymous": "AB3",
"energy": -6.138987,
"energy_per_atom": -1.53474675,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -6.138987,
"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:34:51.634000Z",
"spacegroup": 225
},
{
"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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],
"chemical_system": "Sr-Yb",
"density": 5.777273659430407,
"density_atomic": 0.022936714373968048,
"volume": 174.39289406419027,
"volume_molar": 26.255463889958058,
"formula_full": "Sr1 Yb3",
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"formula_anonymous": "AB3",
"energy": -6.19970281,
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"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,
"nelements": 2,
"elements": [
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"Yb"
],
"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",
"formula_anonymous": "AB3",
"energy": -12.88675582,
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"energy_above_hull": null,
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"updated_at": "2021-11-28T01:34:27.236000Z",
"spacegroup": 194
},
{
"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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"density": 4.4727852084967,
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"volume": 96.77104822241886,
"volume_molar": 29.13844369440771,
"formula_full": "Sr1 Yb1",
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"energy": -3.12770747,
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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",
"nsites": 4,
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"density": 3.594172473743844,
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"volume": 201.3896062080094,
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"formula_full": "Sr3 Yb1",
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"energy": -6.47703761,
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"updated_at": "2021-11-28T01:36:46.458000Z",
"spacegroup": 225
},
{
"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,
"volume_molar": 24.378781355991794,
"formula_full": "Sr1 Y1",
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"formula_anonymous": "AB",
"energy": -7.69889965,
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"band_gap": 0.0,
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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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"W"
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"density": 5.2707534823436815,
"density_atomic": 0.02842285148233974,
"volume": 140.7318334152842,
"volume_molar": 21.187672755992825,
"formula_full": "Sr3 W1",
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"formula_anonymous": "AB3",
"energy": -13.71344558,
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"updated_at": "2021-11-28T01:37:29.165000Z",
"spacegroup": 225
}
]
}