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{
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"results": [
{
"id": "mp-1094484",
"created_at": "2022-09-04T14:42:17.999016Z",
"structure_string": "Mg1 Zn5\n1.0\n1.444109 -7.330006 0.000000\n1.444109 7.330006 0.000000\n0.000000 0.000000 4.568673\nMg Zn\n1 5\ndirect\n0.777656 0.222344 0.500000 Mg\n0.000547 0.999453 0.000000 Zn\n0.337695 0.662305 0.000000 Zn\n0.663594 0.336406 0.000000 Zn\n0.106155 0.893845 0.500000 Zn\n0.447685 0.552315 0.500000 Zn\n",
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"formula_full": "Mg1 Zn5",
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{
"id": "mp-1097151",
"created_at": "2022-09-04T14:43:18.120841Z",
"structure_string": "Li2 Hg1 Bi1\n1.0\n-5.562050 5.763049 8.110341\n5.562050 -5.763049 8.110341\n5.562050 5.763049 -8.110341\nLi Hg Bi\n2 1 1\ndirect\n0.000000 0.255510 0.255510 Li\n0.000000 0.744490 0.744490 Li\n0.000000 0.000000 0.000000 Hg\n0.000000 0.500000 0.500000 Bi\n",
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"volume": 1039.887377594364,
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"formula_full": "Li2 Hg1 Bi1",
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"updated_at": "2021-11-28T01:36:08.045000Z",
"spacegroup": 71
},
{
"id": "mp-1021290",
"created_at": "2022-09-04T14:44:17.064536Z",
"structure_string": "Rb2 Li2 Mg12\n1.0\n5.309518 0.000000 0.000000\n0.000000 7.035757 0.000000\n0.000000 0.000000 11.879850\nRb Li Mg\n2 2 12\ndirect\n0.500000 0.500000 0.173878 Rb\n0.500000 0.000000 0.673878 Rb\n0.000000 0.500000 0.349384 Li\n0.000000 0.000000 0.849384 Li\n0.000000 0.218109 0.069620 Mg\n0.000000 0.781891 0.069620 Mg\n0.000000 0.500000 0.832421 Mg\n0.500000 0.251110 0.921099 Mg\n0.500000 0.748890 0.921099 Mg\n0.500000 0.500000 0.662877 Mg\n0.000000 0.718109 0.569620 Mg\n0.000000 0.281891 0.569620 Mg\n0.000000 0.000000 0.332421 Mg\n0.500000 0.751110 0.421099 Mg\n0.500000 0.248890 0.421099 Mg\n0.500000 0.000000 0.162877 Mg\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Rb",
"Li",
"Mg"
],
"chemical_system": "Li-Mg-Rb",
"density": 1.7828495675471803,
"density_atomic": 0.03605314013799458,
"volume": 443.7893603375316,
"volume_molar": 16.7035124733936,
"formula_full": "Rb2 Li2 Mg12",
"formula_reduced": "RbLiMg6",
"formula_anonymous": "ABC6",
"energy": -21.53474325,
"energy_per_atom": -1.345921453125,
"energy_above_hull": null,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:36:29.818000Z",
"spacegroup": 38
},
{
"id": "mp-1038814",
"created_at": "2022-09-04T14:39:39.318022Z",
"structure_string": "Mg1 Cd1\n1.0\n3.505626 0.000000 0.000000\n0.000000 3.505626 0.000000\n0.000000 0.000000 3.505626\nMg Cd\n1 1\ndirect\n0.500000 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 Cd\n",
"nsites": 2,
"nelements": 2,
"elements": [
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],
"chemical_system": "Cd-Mg",
"density": 5.269527765443745,
"density_atomic": 0.046423005285697407,
"volume": 43.08208802277145,
"volume_molar": 12.972319915391987,
"formula_full": "Mg1 Cd1",
"formula_reduced": "MgCd",
"formula_anonymous": "AB",
"energy": -2.69350669,
"energy_per_atom": -1.346753345,
"energy_above_hull": null,
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"energy_uncorrected": -2.69350669,
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"total_magnetization": 0.0002694,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:40.306000Z",
"spacegroup": 221
},
{
"id": "mp-1093670",
"created_at": "2022-09-04T14:46:16.121800Z",
"structure_string": "Li1 Hg2 Rh1\n1.0\n-5.340191 5.688039 7.784648\n5.340191 -5.688039 7.784648\n5.340191 5.688039 -7.784648\nLi Hg Rh\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.251017 0.251017 Hg\n0.000000 0.748983 0.748983 Hg\n0.000000 0.500000 0.500000 Rh\n",
"nsites": 4,
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"elements": [
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"Hg",
"Rh"
],
"chemical_system": "Hg-Li-Rh",
"density": 0.8971688618652377,
"density_atomic": 0.004229038747312381,
"volume": 945.8414166912188,
"volume_molar": 142.39975369880833,
"formula_full": "Li1 Hg2 Rh1",
"formula_reduced": "LiHg2Rh",
"formula_anonymous": "ABC2",
"energy": -5.38885191,
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"energy_above_hull": null,
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"energy_uncorrected": -5.38885191,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:37:28.656000Z",
"spacegroup": 71
},
{
"id": "mp-1096762",
"created_at": "2022-09-04T14:46:54.153108Z",
"structure_string": "Sr1 Li2 Si1\n1.0\n-6.105497 6.336943 8.868855\n6.105497 -6.336943 8.868855\n6.105497 6.336943 -8.868855\nSr Li Si\n1 2 1\ndirect\n0.000000 0.500000 0.500000 Sr\n0.000000 0.200532 0.200532 Li\n0.000000 0.799468 0.799468 Li\n0.000000 0.000000 0.000000 Si\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"Li",
"Si"
],
"chemical_system": "Li-Si-Sr",
"density": 0.15677753805597824,
"density_atomic": 0.0029142823266306737,
"volume": 1372.5506151027485,
"volume_molar": 206.64232510933334,
"formula_full": "Sr1 Li2 Si1",
"formula_reduced": "SrLi2Si",
"formula_anonymous": "ABC2",
"energy": -5.389250580000001,
"energy_per_atom": -1.3473126450000001,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -5.46025058,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:37:45.383000Z",
"spacegroup": 71
},
{
"id": "mp-1017090",
"created_at": "2022-09-04T14:43:41.639530Z",
"structure_string": "Cs2 Ba2 Mg12\n1.0\n5.164320 0.000000 0.000000\n0.000000 7.200972 0.000000\n0.000000 0.000000 14.852260\nCs Ba Mg\n2 2 12\ndirect\n0.500000 0.000000 0.182032 Cs\n0.500000 0.500000 0.682032 Cs\n0.500000 0.500000 0.171357 Ba\n0.500000 0.000000 0.671357 Ba\n0.500000 0.259442 0.421955 Mg\n0.500000 0.740558 0.421955 Mg\n0.000000 0.738887 0.036070 Mg\n0.000000 0.261113 0.036070 Mg\n0.000000 0.000000 0.368209 Mg\n0.000000 0.500000 0.362348 Mg\n0.500000 0.759442 0.921955 Mg\n0.500000 0.240558 0.921955 Mg\n0.000000 0.238887 0.536070 Mg\n0.000000 0.761113 0.536070 Mg\n0.000000 0.500000 0.868209 Mg\n0.000000 0.000000 0.862348 Mg\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Cs",
"Ba",
"Mg"
],
"chemical_system": "Ba-Cs-Mg",
"density": 2.5017321331390794,
"density_atomic": 0.028968310860036078,
"volume": 552.327682387349,
"volume_molar": 20.788719056132425,
"formula_full": "Cs2 Ba2 Mg12",
"formula_reduced": "CsBaMg6",
"formula_anonymous": "ABC6",
"energy": -21.56570098,
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"updated_at": "2021-11-28T01:36:13.314000Z",
"spacegroup": 38
},
{
"id": "mp-11267",
"created_at": "2022-09-04T14:39:12.634534Z",
"structure_string": "Ba1 Hg2\n1.0\n2.614843 -4.529040 0.000000\n2.614843 4.529040 0.000000\n0.000000 0.000000 4.346182\nBa Hg\n1 2\ndirect\n0.000000 0.000000 0.500000 Ba\n0.666667 0.333333 0.000000 Hg\n0.333333 0.666667 0.000000 Hg\n",
"nsites": 3,
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"elements": [
"Ba",
"Hg"
],
"chemical_system": "Ba-Hg",
"density": 8.686618959940219,
"density_atomic": 0.02914282012489497,
"volume": 102.94130722912706,
"volume_molar": 20.664234738406957,
"formula_full": "Ba1 Hg2",
"formula_reduced": "BaHg2",
"formula_anonymous": "AB2",
"energy": -4.04367412,
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"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:34:36.135000Z",
"spacegroup": 191
},
{
"id": "mp-1099112",
"created_at": "2022-09-04T14:40:09.785213Z",
"structure_string": "Rb1 Ca1 Mg6\n1.0\n3.814808 -5.812343 0.000000\n3.814808 5.812343 0.000000\n0.000000 0.000000 5.509187\nRb Ca Mg\n1 1 6\ndirect\n0.162377 0.837623 0.000000 Rb\n0.658901 0.341099 0.000000 Ca\n0.667510 0.837123 0.000000 Mg\n0.162877 0.332490 0.000000 Mg\n0.808666 0.663054 0.500000 Mg\n0.336946 0.191334 0.500000 Mg\n0.846749 0.153251 0.500000 Mg\n0.355977 0.644023 0.500000 Mg\n",
"nsites": 8,
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"elements": [
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"Ca",
"Mg"
],
"chemical_system": "Ca-Mg-Rb",
"density": 1.8445005314313823,
"density_atomic": 0.03274526862310706,
"volume": 244.3101045246797,
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"formula_full": "Rb1 Ca1 Mg6",
"formula_reduced": "RbCaMg6",
"formula_anonymous": "ABC6",
"energy": -10.78445979,
"energy_per_atom": -1.34805747375,
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"updated_at": "2021-11-28T01:34:49.428000Z",
"spacegroup": 38
},
{
"id": "mp-818167",
"created_at": "2022-09-04T14:44:54.954683Z",
"structure_string": "Li2 Mn2 P2 O8 F2\n1.0\n5.196866 0.000000 0.000000\n-0.766618 5.280096 0.000000\n-1.830403 -2.685228 6.641420\nLi Mn P O F\n2 2 2 8 2\ndirect\n0.919672 0.191460 0.189005 Li\n0.080328 0.808540 0.810995 Li\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 Mn\n0.444527 0.593369 0.762695 P\n0.555473 0.406631 0.237305 P\n0.719344 0.671337 0.083028 O\n0.646939 0.000162 0.340820 O\n0.353061 0.999838 0.659180 O\n0.636243 0.405992 0.385877 O\n0.280656 0.328663 0.916972 O\n0.363757 0.594008 0.614123 O\n0.243288 0.545087 0.117571 O\n0.756712 0.454913 0.882429 O\n0.122810 0.812054 0.263098 F\n0.877190 0.187946 0.736902 F\n",
"nsites": 16,
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"elements": [
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"P",
"O",
"F"
],
"chemical_system": "F-Li-Mn-O-P",
"density": 3.2046030681962225,
"density_atomic": 0.08779619602237015,
"volume": 182.24024188842142,
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"formula_full": "Li2 Mn2 P2 O8 F2",
"formula_reduced": "LiMnPO4F",
"formula_anonymous": "ABCDE4",
"energy": -21.56902102,
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"updated_at": "2021-11-28T01:36:45.257000Z",
"spacegroup": 2
},
{
"id": "mp-1093578",
"created_at": "2022-09-04T14:46:12.865612Z",
"structure_string": "Ca2 Hg1 Bi1\n1.0\n-6.110811 6.598313 9.302533\n6.110811 -6.598313 9.302533\n6.110811 6.598313 -9.302533\nCa Hg Bi\n2 1 1\ndirect\n0.000000 0.267416 0.267416 Ca\n0.000000 0.732584 0.732584 Ca\n0.000000 0.000000 0.000000 Hg\n0.000000 0.500000 0.500000 Bi\n",
"nsites": 4,
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"elements": [
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"Hg",
"Bi"
],
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"density": 0.542012919395413,
"density_atomic": 0.002666042178216822,
"volume": 1500.3513570349414,
"volume_molar": 225.88317653803583,
"formula_full": "Ca2 Hg1 Bi1",
"formula_reduced": "Ca2HgBi",
"formula_anonymous": "ABC2",
"energy": -5.39313568,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:37:25.958000Z",
"spacegroup": 71
},
{
"id": "mp-1039124",
"created_at": "2022-09-04T14:40:28.250377Z",
"structure_string": "Mg1 Cd1\n1.0\n3.243787 0.000000 0.000000\n0.000000 3.243787 0.000000\n0.000000 0.000000 4.122161\nMg Cd\n1 1\ndirect\n0.500000 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 Cd\n",
"nsites": 2,
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"elements": [
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],
"chemical_system": "Cd-Mg",
"density": 5.234061639678145,
"density_atomic": 0.04611055904437069,
"volume": 43.37401327265334,
"volume_molar": 13.060220662701335,
"formula_full": "Mg1 Cd1",
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"formula_anonymous": "AB",
"energy": -2.69873064,
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"energy_above_hull": null,
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"updated_at": "2021-11-28T01:34:59.636000Z",
"spacegroup": 123
}
]
}