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{
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"results": [
{
"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",
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{
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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,
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"elements": [
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"formula_full": "Sr8 Zn22",
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"updated_at": "2021-11-28T01:38:29.570000Z",
"spacegroup": 141
},
{
"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,
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"elements": [
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"density": 6.150190414520752,
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"volume": 94.86379473266653,
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"formula_full": "Mg1 Zn5",
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"formula_anonymous": "AB5",
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"updated_at": "2021-11-28T01:37:25.074000Z",
"spacegroup": 189
},
{
"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,
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"elements": [
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"density": 8.925596497038184,
"density_atomic": 0.049720598197797665,
"volume": 80.44955501314095,
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"formula_full": "Li1 Mg1 Hg2",
"formula_reduced": "LiMgHg2",
"formula_anonymous": "ABC2",
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"updated_at": "2021-11-28T01:36:00.324000Z",
"spacegroup": 225
},
{
"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,
"volume_molar": 9.933897145612917,
"formula_full": "Li2 Zn26",
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"energy": -37.51248266,
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"updated_at": "2021-11-28T01:38:51.530000Z",
"spacegroup": 226
},
{
"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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"elements": [
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"Zn",
"Rh"
],
"chemical_system": "Mg-Rh-Zn",
"density": 0.47524341269511716,
"density_atomic": 0.004436692423514158,
"volume": 901.5725270474649,
"volume_molar": 135.7349165807185,
"formula_full": "Mg1 Zn2 Rh1",
"formula_reduced": "MgZn2Rh",
"formula_anonymous": "ABC2",
"energy": -5.35852613,
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"energy_above_hull": null,
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"energy_uncorrected": -5.35852613,
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"updated_at": "2021-11-28T01:37:18.609000Z",
"spacegroup": 71
},
{
"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",
"nsites": 4,
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"elements": [
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"Mg",
"Hg"
],
"chemical_system": "Hf-Hg-Mg",
"density": 0.8628142768022389,
"density_atomic": 0.0034411947689466003,
"volume": 1162.3869814333289,
"volume_molar": 175.00145049457532,
"formula_full": "Hf1 Mg1 Hg2",
"formula_reduced": "HfMgHg2",
"formula_anonymous": "ABC2",
"energy": -5.35087006,
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"updated_at": "2021-11-28T01:39:01.941000Z",
"spacegroup": 71
},
{
"id": "mp-1017192",
"created_at": "2022-09-04T14:45:13.354151Z",
"structure_string": "Rb2 Ba2 Mg12\n1.0\n5.495794 0.000000 0.000000\n0.000000 7.405931 0.000000\n0.000000 0.000000 12.642906\nRb Ba Mg\n2 2 12\ndirect\n0.000000 0.500000 0.342852 Rb\n0.000000 0.000000 0.842852 Rb\n0.500000 0.500000 0.161409 Ba\n0.500000 0.000000 0.661409 Ba\n0.000000 0.775087 0.082924 Mg\n0.000000 0.224913 0.082924 Mg\n0.000000 0.500000 0.831193 Mg\n0.500000 0.716603 0.917153 Mg\n0.500000 0.283397 0.917153 Mg\n0.500000 0.500000 0.664392 Mg\n0.000000 0.275087 0.582924 Mg\n0.000000 0.724913 0.582924 Mg\n0.000000 0.000000 0.331193 Mg\n0.500000 0.216603 0.417153 Mg\n0.500000 0.783397 0.417153 Mg\n0.500000 0.000000 0.164392 Mg\n",
"nsites": 16,
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"elements": [
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"Ba",
"Mg"
],
"chemical_system": "Ba-Mg-Rb",
"density": 2.379066748389755,
"density_atomic": 0.031093024324331385,
"volume": 514.584873864439,
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"formula_full": "Rb2 Ba2 Mg12",
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"updated_at": "2021-11-28T01:36:57.274000Z",
"spacegroup": 38
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{
"id": "mp-1026676",
"created_at": "2022-09-04T14:45:55.728970Z",
"structure_string": "Cs1 Na1 Mg14\n1.0\n6.692522 -0.000000 -0.000000\n-3.346261 5.795894 -0.000000\n-0.000000 0.000000 10.834834\nCs Na Mg\n1 1 14\ndirect\n0.166667 0.333333 0.625000 Cs\n0.166667 0.333333 0.125000 Na\n0.169923 0.834961 0.125000 Mg\n0.170223 0.835111 0.625000 Mg\n0.665039 0.330077 0.125000 Mg\n0.664889 0.329777 0.625000 Mg\n0.665039 0.834961 0.125000 Mg\n0.664889 0.835111 0.625000 Mg\n0.342332 0.157668 0.360255 Mg\n0.342332 0.157668 0.889745 Mg\n0.342332 0.684665 0.360255 Mg\n0.342332 0.684665 0.889745 Mg\n0.815335 0.157668 0.360255 Mg\n0.815335 0.157668 0.889745 Mg\n0.833333 0.666667 0.378645 Mg\n0.833333 0.666667 0.871355 Mg\n",
"nsites": 16,
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"elements": [
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],
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"density": 1.960391961108261,
"density_atomic": 0.03807040343720759,
"volume": 420.2739807154924,
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"formula_full": "Cs1 Na1 Mg14",
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"formula_anonymous": "ABC14",
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"updated_at": "2021-11-28T01:37:10.418000Z",
"spacegroup": 187
},
{
"id": "mp-1039186",
"created_at": "2022-09-04T14:44:28.306519Z",
"structure_string": "Mg6 Cd6\n1.0\n4.974291 0.000000 0.000000\n0.000000 9.640728 0.000000\n0.000000 0.000000 5.473542\nMg Cd\n6 6\ndirect\n-0.000000 0.169312 0.160908 Mg\n0.000000 0.330688 0.660908 Mg\n0.500000 0.500000 0.842844 Mg\n-0.000000 0.669312 0.660908 Mg\n0.000000 0.830688 0.160908 Mg\n0.500000 0.000000 0.342844 Mg\n0.000000 0.500000 0.158689 Cd\n0.500000 0.332833 0.338326 Cd\n0.500000 0.167167 0.838326 Cd\n0.000000 0.000000 0.658689 Cd\n0.500000 0.832833 0.838326 Cd\n0.500000 0.667167 0.338326 Cd\n",
"nsites": 12,
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"elements": [
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],
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"density": 5.189317201386956,
"density_atomic": 0.04571637357125884,
"volume": 262.48801168131604,
"volume_molar": 13.17283128464508,
"formula_full": "Mg6 Cd6",
"formula_reduced": "MgCd",
"formula_anonymous": "AB",
"energy": -16.02158789,
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"updated_at": "2021-11-28T01:36:35.979000Z",
"spacegroup": 38
},
{
"id": "mp-1017292",
"created_at": "2022-09-04T14:40:03.491514Z",
"structure_string": "Rb2 Sr2 Mg12\n1.0\n5.298251 0.000000 0.000000\n0.000000 7.191436 0.000000\n0.000000 0.000000 13.554897\nRb Sr Mg\n2 2 12\ndirect\n0.500000 0.000000 0.175382 Rb\n0.500000 0.500000 0.675382 Rb\n0.500000 0.500000 0.170521 Sr\n0.500000 0.000000 0.670521 Sr\n0.500000 0.254683 0.422597 Mg\n0.500000 0.745317 0.422597 Mg\n0.000000 0.737747 0.047159 Mg\n0.000000 0.262253 0.047159 Mg\n0.000000 0.000000 0.360598 Mg\n0.000000 0.500000 0.353984 Mg\n0.500000 0.754683 0.922597 Mg\n0.500000 0.245317 0.922597 Mg\n0.000000 0.237747 0.547159 Mg\n0.000000 0.762253 0.547159 Mg\n0.000000 0.500000 0.860598 Mg\n0.000000 0.000000 0.853984 Mg\n",
"nsites": 16,
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"elements": [
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],
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"density": 2.050753598214254,
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"volume": 516.4691325133032,
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"formula_full": "Rb2 Sr2 Mg12",
"formula_reduced": "RbSrMg6",
"formula_anonymous": "ABC6",
"energy": -21.34790537,
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{
"id": "mp-973940",
"created_at": "2022-09-04T14:39:16.385249Z",
"structure_string": "Li1 Cd3\n1.0\n0.000000 3.449262 3.449262\n3.449262 0.000000 3.449262\n3.449262 3.449262 0.000000\nLi Cd\n1 3\ndirect\n0.000000 0.000000 0.000000 Li\n0.250000 0.250000 0.250000 Cd\n0.750000 0.750000 0.750000 Cd\n0.500000 0.500000 0.500000 Cd\n",
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"formula_full": "Li1 Cd3",
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"energy": -5.33491021,
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"updated_at": "2021-11-28T01:34:34.171000Z",
"spacegroup": 225
}
]
}