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{
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"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-energy_per_atom&page=87",
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"results": [
{
"id": "mp-1097250",
"created_at": "2022-09-04T14:48:18.090521Z",
"structure_string": "Hf1 Mg1 Hg2\n1.0\n-5.791838 5.956809 8.422881\n5.791838 -5.956809 8.422881\n5.791838 5.956809 -8.422881\nHf Mg Hg\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Hf\n0.000000 0.000000 0.000000 Mg\n0.000000 0.250392 0.250392 Hg\n0.000000 0.749608 0.749608 Hg\n",
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"updated_at": "2021-11-28T01:39:01.941000Z",
"spacegroup": 71
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{
"id": "mp-1093878",
"created_at": "2022-09-04T14:45:39.068090Z",
"structure_string": "Mg1 Zn2 Rh1\n1.0\n-5.270626 5.558282 7.693747\n5.270626 -5.558282 7.693747\n5.270626 5.558282 -7.693747\nMg Zn Rh\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Mg\n0.000000 0.269709 0.269709 Zn\n0.000000 0.730291 0.730291 Zn\n0.000000 0.500000 0.500000 Rh\n",
"nsites": 4,
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"updated_at": "2021-11-28T01:37:18.609000Z",
"spacegroup": 71
},
{
"id": "mp-1193737",
"created_at": "2022-09-04T14:48:18.274014Z",
"structure_string": "Li2 Zn26\n1.0\n0.000000 6.135250 6.135250\n6.135250 0.000000 6.135250\n6.135250 6.135250 0.000000\nLi Zn\n2 26\ndirect\n0.250000 0.250000 0.250000 Li\n0.750000 0.750000 0.750000 Li\n0.500000 0.500000 0.500000 Zn\n0.000000 0.000000 0.000000 Zn\n0.938632 0.061368 0.300369 Zn\n0.300369 0.699631 0.938632 Zn\n0.061368 0.938632 0.699631 Zn\n0.699631 0.300369 0.061368 Zn\n0.438632 0.199631 0.800369 Zn\n0.800369 0.561368 0.438632 Zn\n0.199631 0.438632 0.561368 Zn\n0.561368 0.800369 0.199631 Zn\n0.300369 0.938632 0.061368 Zn\n0.938632 0.300369 0.699631 Zn\n0.699631 0.061368 0.938632 Zn\n0.061368 0.699631 0.300369 Zn\n0.800369 0.438632 0.199631 Zn\n0.438632 0.800369 0.561368 Zn\n0.561368 0.199631 0.438632 Zn\n0.199631 0.561368 0.800369 Zn\n0.061368 0.300369 0.938632 Zn\n0.699631 0.938632 0.300369 Zn\n0.938632 0.699631 0.061368 Zn\n0.300369 0.061368 0.699631 Zn\n0.199631 0.800369 0.438632 Zn\n0.561368 0.438632 0.800369 Zn\n0.438632 0.561368 0.199631 Zn\n0.800369 0.199631 0.561368 Zn\n",
"nsites": 28,
"nelements": 2,
"elements": [
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"Zn"
],
"chemical_system": "Li-Zn",
"density": 6.16401734052538,
"density_atomic": 0.060622137231001474,
"volume": 461.87748038815624,
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"formula_full": "Li2 Zn26",
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"formula_anonymous": "AB13",
"energy": -37.51248266,
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"updated_at": "2021-11-28T01:38:51.530000Z",
"spacegroup": 226
},
{
"id": "mp-1185363",
"created_at": "2022-09-04T14:43:11.844503Z",
"structure_string": "Li1 Mg1 Hg2\n1.0\n0.000000 3.426346 3.426346\n3.426346 0.000000 3.426346\n3.426346 3.426346 0.000000\nLi Mg Hg\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Mg\n0.250000 0.250000 0.250000 Hg\n0.750000 0.750000 0.750000 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"Mg",
"Hg"
],
"chemical_system": "Hg-Li-Mg",
"density": 8.925596497038184,
"density_atomic": 0.049720598197797665,
"volume": 80.44955501314095,
"volume_molar": 12.11196360921246,
"formula_full": "Li1 Mg1 Hg2",
"formula_reduced": "LiMgHg2",
"formula_anonymous": "ABC2",
"energy": -5.35991536,
"energy_per_atom": -1.33997884,
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"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:36:00.324000Z",
"spacegroup": 225
},
{
"id": "mp-1094462",
"created_at": "2022-09-04T14:46:07.169195Z",
"structure_string": "Mg1 Zn5\n1.0\n2.395812 -4.149668 0.000000\n2.395812 4.149668 0.000000\n0.000000 0.000000 4.770945\nMg Zn\n1 5\ndirect\n0.000000 0.000000 0.000000 Mg\n0.000000 0.345442 0.500000 Zn\n0.654558 0.654558 0.500000 Zn\n0.345442 0.000000 0.500000 Zn\n0.666667 0.333333 0.000000 Zn\n0.333333 0.666667 0.000000 Zn\n",
"nsites": 6,
"nelements": 2,
"elements": [
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"Zn"
],
"chemical_system": "Mg-Zn",
"density": 6.150190414520752,
"density_atomic": 0.0632485767294937,
"volume": 94.86379473266653,
"volume_molar": 9.521385415131073,
"formula_full": "Mg1 Zn5",
"formula_reduced": "MgZn5",
"formula_anonymous": "AB5",
"energy": -8.0422745,
"energy_per_atom": -1.3403790833333333,
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"energy_uncorrected": -8.0422745,
"band_gap": 0.0,
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"total_magnetization": 8.7e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:25.074000Z",
"spacegroup": 189
},
{
"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,
"nelements": 2,
"elements": [
"Sr",
"Zn"
],
"chemical_system": "Sr-Zn",
"density": 4.3516045769817016,
"density_atomic": 0.0367380695838427,
"volume": 816.5916266105042,
"volume_molar": 16.39209906295273,
"formula_full": "Sr8 Zn22",
"formula_reduced": "Sr4Zn11",
"formula_anonymous": "A4B11",
"energy": -40.23538566,
"energy_per_atom": -1.341179522,
"energy_above_hull": null,
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"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:38:29.570000Z",
"spacegroup": 141
},
{
"id": "mp-1094194",
"created_at": "2022-09-04T14:47:13.703662Z",
"structure_string": "Mg1 Zn5\n1.0\n5.192967 -2.359248 0.000000\n5.192967 2.359248 0.000000\n4.121123 0.000000 3.943260\nMg Zn\n1 5\ndirect\n0.500000 0.500000 0.500000 Mg\n0.000000 0.670020 0.329980 Zn\n0.835127 0.835127 0.835127 Zn\n0.670020 0.329980 0.000000 Zn\n0.329980 0.000000 0.670020 Zn\n0.164873 0.164873 0.164873 Zn\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mg",
"Zn"
],
"chemical_system": "Mg-Zn",
"density": 6.038297244014163,
"density_atomic": 0.06209786702730575,
"volume": 96.62167618996757,
"volume_molar": 9.69782224138542,
"formula_full": "Mg1 Zn5",
"formula_reduced": "MgZn5",
"formula_anonymous": "AB5",
"energy": -8.04738283,
"energy_per_atom": -1.3412304716666668,
"energy_above_hull": null,
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"energy_uncorrected": -8.04738283,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:37:58.982000Z",
"spacegroup": 155
},
{
"id": "mp-1095741",
"created_at": "2022-09-04T14:47:57.046630Z",
"structure_string": "Mg1 Zn2 Pt1\n1.0\n-5.106305 5.276678 7.205836\n5.106305 -5.276678 7.205836\n5.106305 5.276678 -7.205836\nMg Zn Pt\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Mg\n0.000000 0.263447 0.263447 Zn\n0.000000 0.736553 0.736553 Zn\n0.000000 0.500000 0.500000 Pt\n",
"nsites": 4,
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"elements": [
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"Zn",
"Pt"
],
"chemical_system": "Mg-Pt-Zn",
"density": 0.7487937494306194,
"density_atomic": 0.005150486838741307,
"volume": 776.6256133133879,
"volume_molar": 116.9237190298638,
"formula_full": "Mg1 Zn2 Pt1",
"formula_reduced": "MgZn2Pt",
"formula_anonymous": "ABC2",
"energy": -5.36654704,
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"energy_above_hull": null,
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"energy_uncorrected": -5.36654704,
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"total_magnetization": 1.1e-05,
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"updated_at": "2021-11-28T01:38:18.115000Z",
"spacegroup": 71
},
{
"id": "mp-1096094",
"created_at": "2022-09-04T14:39:23.278107Z",
"structure_string": "Li1 Mg1 Ag2\n1.0\n-5.276264 5.764068 8.154382\n5.276264 -5.764068 8.154382\n5.276264 5.764068 -8.154382\nLi Mg Ag\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.500000 Mg\n0.000000 0.250976 0.250976 Ag\n0.000000 0.749024 0.749024 Ag\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Ag-Li-Mg",
"density": 0.41343614919256366,
"density_atomic": 0.004032304628298033,
"volume": 991.9885446969149,
"volume_molar": 149.34736621180932,
"formula_full": "Li1 Mg1 Ag2",
"formula_reduced": "LiMgAg2",
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"energy": -5.36997387,
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"updated_at": "2021-11-28T01:34:37.105000Z",
"spacegroup": 71
},
{
"id": "mp-1228287",
"created_at": "2022-09-04T14:47:19.342288Z",
"structure_string": "Ba7 Cd31\n1.0\n5.415667 -9.380210 0.000000\n5.415667 9.380210 0.000000\n0.000000 0.000000 10.554280\nBa Cd\n7 31\ndirect\n0.000000 0.000000 0.500000 Ba\n0.333333 0.666667 0.500000 Ba\n0.165904 0.331808 0.000000 Ba\n0.668192 0.834096 0.000000 Ba\n0.165904 0.834096 0.000000 Ba\n0.666667 0.333333 0.288004 Ba\n0.666667 0.333333 0.711996 Ba\n0.393366 0.333281 0.500000 Cd\n0.666719 0.060085 0.500000 Cd\n0.939915 0.606634 0.500000 Cd\n0.939915 0.333281 0.500000 Cd\n0.666719 0.606634 0.500000 Cd\n0.393366 0.060085 0.500000 Cd\n0.164870 0.329740 0.331732 Cd\n0.670260 0.835130 0.331732 Cd\n0.164870 0.835130 0.331732 Cd\n0.164870 0.329740 0.668268 Cd\n0.670260 0.835130 0.668268 Cd\n0.164870 0.835130 0.668268 Cd\n0.000000 0.000000 0.150565 Cd\n0.333333 0.666667 0.146421 Cd\n0.333333 0.666667 0.853579 Cd\n0.000000 0.000000 0.849435 Cd\n0.298688 0.149344 0.240434 Cd\n0.850656 0.149344 0.240434 Cd\n0.850656 0.701312 0.240434 Cd\n0.482701 0.517299 0.235621 Cd\n0.034599 0.517299 0.235621 Cd\n0.482701 0.965401 0.235621 Cd\n0.034599 0.517299 0.764379 Cd\n0.482701 0.517299 0.764379 Cd\n0.482701 0.965401 0.764379 Cd\n0.850656 0.149344 0.759566 Cd\n0.298688 0.149344 0.759566 Cd\n0.850656 0.701312 0.759566 Cd\n0.466855 0.233428 0.000000 Cd\n0.766572 0.233428 0.000000 Cd\n0.766572 0.533145 0.000000 Cd\n",
"nsites": 38,
"nelements": 2,
"elements": [
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"Cd"
],
"chemical_system": "Ba-Cd",
"density": 6.884911549340612,
"density_atomic": 0.03543728779191939,
"volume": 1072.3168269289777,
"volume_molar": 16.993797029165428,
"formula_full": "Ba7 Cd31",
"formula_reduced": "Ba7Cd31",
"formula_anonymous": "A7B31",
"energy": -51.02130933,
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:37:59.739000Z",
"spacegroup": 187
},
{
"id": "mp-1021315",
"created_at": "2022-09-04T14:40:14.713539Z",
"structure_string": "Rb2 Li2 Mg12\n1.0\n5.416915 0.000000 0.000000\n0.000000 6.474741 0.000000\n0.000000 0.000000 12.686611\nRb Li Mg\n2 2 12\ndirect\n0.500000 0.500000 0.184484 Rb\n0.500000 0.000000 0.684484 Rb\n0.500000 0.000000 0.162745 Li\n0.500000 0.500000 0.662745 Li\n0.500000 0.246279 0.427091 Mg\n0.500000 0.753721 0.427091 Mg\n0.000000 0.759288 0.063390 Mg\n0.000000 0.240712 0.063390 Mg\n0.000000 0.000000 0.319726 Mg\n0.000000 0.500000 0.352079 Mg\n0.500000 0.746279 0.927091 Mg\n0.500000 0.253721 0.927091 Mg\n0.000000 0.259288 0.563390 Mg\n0.000000 0.740712 0.563390 Mg\n0.000000 0.500000 0.819726 Mg\n0.000000 0.000000 0.852079 Mg\n",
"nsites": 16,
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"elements": [
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"Li",
"Mg"
],
"chemical_system": "Li-Mg-Rb",
"density": 1.778162884073273,
"density_atomic": 0.03595836508846549,
"volume": 444.9590508532988,
"volume_molar": 16.74753772921602,
"formula_full": "Rb2 Li2 Mg12",
"formula_reduced": "RbLiMg6",
"formula_anonymous": "ABC6",
"energy": -21.49847253,
"energy_per_atom": -1.343654533125,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:34:51.946000Z",
"spacegroup": 38
},
{
"id": "mp-1187152",
"created_at": "2022-09-04T14:40:20.332686Z",
"structure_string": "Sr1 Cd3\n1.0\n0.000000 3.762230 3.762230\n3.762230 0.000000 3.762230\n3.762230 3.762230 0.000000\nSr Cd\n1 3\ndirect\n0.000000 0.000000 0.000000 Sr\n0.250000 0.250000 0.250000 Cd\n0.750000 0.750000 0.750000 Cd\n0.500000 0.500000 0.500000 Cd\n",
"nsites": 4,
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"elements": [
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],
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"density": 6.624021975535018,
"density_atomic": 0.03755726592283973,
"volume": 106.50402529880316,
"volume_molar": 16.03455579639984,
"formula_full": "Sr1 Cd3",
"formula_reduced": "SrCd3",
"formula_anonymous": "AB3",
"energy": -5.37606295,
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"energy_above_hull": null,
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"updated_at": "2021-11-28T01:35:03.235000Z",
"spacegroup": 225
}
]
}