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{
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"results": [
{
"id": "mp-1095948",
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{
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"nsites": 36,
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"elements": [
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"volume": 999.98410008427,
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"formula_full": "Ca3 Hg33",
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"updated_at": "2021-11-28T01:34:35.207000Z",
"spacegroup": 221
},
{
"id": "mp-1095977",
"created_at": "2022-09-04T14:45:22.005078Z",
"structure_string": "Ba2 Li1 Cd1\n1.0\n-6.867201 7.239496 9.767377\n6.867201 -7.239496 9.767377\n6.867201 7.239496 -9.767377\nBa Li Cd\n2 1 1\ndirect\n0.742678 0.000000 0.742678 Ba\n0.257322 0.000000 0.257322 Ba\n0.000000 0.000000 0.000000 Li\n0.500000 0.000000 0.500000 Cd\n",
"nsites": 4,
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"elements": [
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],
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"density": 0.33684173757418245,
"density_atomic": 0.0020593679875085323,
"volume": 1942.3434880326008,
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"updated_at": "2021-11-28T01:37:05.828000Z",
"spacegroup": 71
},
{
"id": "mp-1097263",
"created_at": "2022-09-04T14:40:04.674921Z",
"structure_string": "Cs2 Rb1 Na1\n1.0\n-9.003587 9.034610 12.769176\n9.003587 -9.034610 12.769176\n9.003587 9.034610 -12.769176\nCs Rb Na\n2 1 1\ndirect\n0.229629 0.000000 0.229629 Cs\n0.770371 0.000000 0.770371 Cs\n0.500000 0.000000 0.500000 Rb\n0.000000 0.000000 0.000000 Na\n",
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"formula_full": "Cs2 Rb1 Na1",
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"updated_at": "2021-11-28T01:34:49.887000Z",
"spacegroup": 71
},
{
"id": "mp-1385353",
"created_at": "2022-09-04T14:39:28.761770Z",
"structure_string": "Mg8 Si6\n1.0\n-5.603223 0.000000 0.000000\n2.733840 7.026407 0.000000\n-0.008970 -3.660397 -6.696176\nMg Si\n8 6\ndirect\n0.815717 0.493897 0.683419 Mg\n0.504369 0.005230 0.951559 Mg\n0.117785 0.067421 0.554865 Mg\n0.625700 0.046798 0.587521 Mg\n0.422021 0.533747 0.284733 Mg\n0.491158 0.282379 0.119048 Mg\n0.904416 0.690975 0.969943 Mg\n0.147715 0.840289 0.323375 Mg\n0.682914 0.896341 0.352541 Si\n0.288466 0.431714 0.677660 Si\n0.028312 0.110456 0.904228 Si\n0.967038 0.232943 0.125439 Si\n0.926103 0.438297 0.377313 Si\n0.328113 0.679574 0.838241 Si\n",
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"elements": [
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"density": 2.286132609085723,
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"volume": 263.6319666866142,
"volume_molar": 11.340205801588725,
"formula_full": "Mg8 Si6",
"formula_reduced": "Mg4Si3",
"formula_anonymous": "A3B4",
"energy": -7.154272510000001,
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"updated_at": "2021-11-28T01:34:44.396000Z",
"spacegroup": 1
},
{
"id": "mp-11026",
"created_at": "2022-09-04T14:39:41.778822Z",
"structure_string": "Rb6 Hg40\n1.0\n11.569550 0.000000 0.000000\n0.000000 11.569550 0.000000\n0.000000 0.000000 11.569550\nRb Hg\n6 40\ndirect\n0.000000 0.250000 0.500000 Rb\n0.500000 0.000000 0.250000 Rb\n0.500000 0.000000 0.750000 Rb\n0.750000 0.500000 0.000000 Rb\n0.250000 0.500000 0.000000 Rb\n0.000000 0.750000 0.500000 Rb\n0.867184 0.000000 0.741455 Hg\n0.632816 0.241455 0.500000 Hg\n0.367184 0.241455 0.500000 Hg\n0.367184 0.758545 0.500000 Hg\n0.750000 0.000000 0.500000 Hg\n0.500000 0.632816 0.241455 Hg\n0.741455 0.867184 0.000000 Hg\n0.250000 0.250000 0.250000 Hg\n0.258545 0.132816 0.000000 Hg\n0.500000 0.250000 0.000000 Hg\n0.500000 0.367184 0.241455 Hg\n0.250000 0.750000 0.750000 Hg\n0.000000 0.258545 0.867184 Hg\n0.741455 0.132816 0.000000 Hg\n0.132816 0.000000 0.258545 Hg\n0.500000 0.632816 0.758545 Hg\n0.250000 0.750000 0.250000 Hg\n0.758545 0.500000 0.632816 Hg\n0.250000 0.000000 0.500000 Hg\n0.241455 0.500000 0.367184 Hg\n0.241455 0.500000 0.632816 Hg\n0.750000 0.750000 0.250000 Hg\n0.000000 0.258545 0.132816 Hg\n0.632816 0.758545 0.500000 Hg\n0.250000 0.250000 0.750000 Hg\n0.000000 0.000000 0.000000 Hg\n0.500000 0.367184 0.758545 Hg\n0.258545 0.867184 0.000000 Hg\n0.750000 0.250000 0.750000 Hg\n0.000000 0.500000 0.750000 Hg\n0.000000 0.500000 0.250000 Hg\n0.000000 0.741455 0.132816 Hg\n0.750000 0.250000 0.250000 Hg\n0.758545 0.500000 0.367184 Hg\n0.500000 0.750000 0.000000 Hg\n0.500000 0.500000 0.500000 Hg\n0.000000 0.741455 0.867184 Hg\n0.867184 0.000000 0.258545 Hg\n0.750000 0.750000 0.750000 Hg\n0.132816 0.000000 0.741455 Hg\n",
"nsites": 46,
"nelements": 2,
"elements": [
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"Hg"
],
"chemical_system": "Hg-Rb",
"density": 9.153238921291939,
"density_atomic": 0.029703554987527806,
"volume": 1548.6361824136839,
"volume_molar": 20.27414147070487,
"formula_full": "Rb6 Hg40",
"formula_reduced": "Rb3Hg20",
"formula_anonymous": "A3B20",
"energy": -23.82395702,
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"updated_at": "2021-11-28T01:34:41.199000Z",
"spacegroup": 223
},
{
"id": "mp-1097299",
"created_at": "2022-09-04T14:47:28.089918Z",
"structure_string": "Rb2 Na1 Hg1\n1.0\n-7.163023 7.764362 10.125819\n7.163023 -7.764362 10.125819\n7.163023 7.764362 -10.125819\nRb Na Hg\n2 1 1\ndirect\n0.249841 0.000000 0.249841 Rb\n0.750159 0.000000 0.750159 Rb\n0.000000 0.000000 0.000000 Na\n0.500000 0.000000 0.500000 Hg\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Hg-Na-Rb",
"density": 0.29081764404862437,
"density_atomic": 0.001775692330317945,
"volume": 2252.642494256752,
"volume_molar": 339.14325455929134,
"formula_full": "Rb2 Na1 Hg1",
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"formula_anonymous": "ABC2",
"energy": -2.07442825,
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"updated_at": "2021-11-28T01:38:12.453000Z",
"spacegroup": 71
},
{
"id": "mp-1197367",
"created_at": "2022-09-04T14:40:38.988565Z",
"structure_string": "Sr3 Hg33\n1.0\n10.142684 0.000000 0.000000\n0.000000 10.142684 0.000000\n0.000000 0.000000 10.142684\nSr Hg\n3 33\ndirect\n0.000000 0.000000 0.500000 Sr\n0.000000 0.500000 0.000000 Sr\n0.500000 0.000000 0.000000 Sr\n0.500000 0.500000 0.500000 Hg\n0.152712 0.152712 0.847288 Hg\n0.152712 0.847288 0.152712 Hg\n0.847288 0.152712 0.152712 Hg\n0.847288 0.847288 0.847288 Hg\n0.847288 0.847288 0.152712 Hg\n0.847288 0.152712 0.847288 Hg\n0.152712 0.847288 0.847288 Hg\n0.152712 0.152712 0.152712 Hg\n0.341645 0.341645 0.000000 Hg\n0.341645 0.000000 0.658355 Hg\n0.000000 0.341645 0.658355 Hg\n0.341645 0.658355 0.000000 Hg\n0.341645 0.000000 0.341645 Hg\n0.000000 0.658355 0.341645 Hg\n0.658355 0.341645 0.000000 Hg\n0.658355 0.000000 0.341645 Hg\n0.000000 0.341645 0.341645 Hg\n0.658355 0.658355 0.000000 Hg\n0.658355 0.000000 0.658355 Hg\n0.000000 0.658355 0.658355 Hg\n0.262272 0.262272 0.500000 Hg\n0.262272 0.500000 0.737728 Hg\n0.500000 0.262272 0.737728 Hg\n0.262272 0.737728 0.500000 Hg\n0.262272 0.500000 0.262272 Hg\n0.500000 0.737728 0.262272 Hg\n0.737728 0.262272 0.500000 Hg\n0.737728 0.500000 0.262272 Hg\n0.500000 0.262272 0.262272 Hg\n0.737728 0.737728 0.500000 Hg\n0.737728 0.500000 0.737728 Hg\n0.500000 0.737728 0.737728 Hg\n",
"nsites": 36,
"nelements": 2,
"elements": [
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"Hg"
],
"chemical_system": "Hg-Sr",
"density": 10.952818853749147,
"density_atomic": 0.03450196383548481,
"volume": 1043.4188665798345,
"volume_molar": 17.454486906065064,
"formula_full": "Sr3 Hg33",
"formula_reduced": "SrHg11",
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"updated_at": "2021-11-28T01:35:02.394000Z",
"spacegroup": 221
},
{
"id": "mp-1096338",
"created_at": "2022-09-04T14:48:26.039636Z",
"structure_string": "Na1 Li1 Hg2\n1.0\n-5.910205 5.980608 8.459492\n5.910205 -5.980608 8.459492\n5.910205 5.980608 -8.459492\nNa Li Hg\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Li\n0.000000 0.233214 0.233214 Hg\n0.000000 0.766786 0.766786 Hg\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Hg-Li-Na",
"density": 0.5985298458138731,
"density_atomic": 0.0033443200575273323,
"volume": 1196.0577729385905,
"volume_molar": 180.07070664320776,
"formula_full": "Na1 Li1 Hg2",
"formula_reduced": "NaLiHg2",
"formula_anonymous": "ABC2",
"energy": -2.08205359,
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"updated_at": "2021-11-28T01:39:13.688000Z",
"spacegroup": 71
},
{
"id": "mp-1097512",
"created_at": "2022-09-04T14:45:27.498653Z",
"structure_string": "Li1 Zn1 Cd2\n1.0\n-5.675663 5.681286 8.029482\n5.675663 -5.681286 8.029482\n5.675663 5.681286 -8.029482\nLi Zn Cd\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.500000 Zn\n0.000000 0.248695 0.248695 Cd\n0.000000 0.751305 0.751305 Cd\n",
"nsites": 4,
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"elements": [
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"density": 0.47648168417414144,
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"volume": 1035.6446677587435,
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"formula_full": "Li1 Zn1 Cd2",
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{
"id": "mp-1179832",
"created_at": "2022-09-04T14:42:54.098237Z",
"structure_string": "Rb8\n1.0\n-13.000871 13.000871 6.192701\n13.000871 -13.000871 6.192701\n13.000871 13.000871 -6.192701\nRb\n8\ndirect\n0.210183 0.086187 0.296370 Rb\n0.086187 0.789817 0.876005 Rb\n0.210183 0.913813 0.123995 Rb\n0.789817 0.913813 0.703630 Rb\n0.789817 0.086187 0.876005 Rb\n0.086187 0.210183 0.296370 Rb\n0.913813 0.210183 0.123995 Rb\n0.913813 0.789817 0.703630 Rb\n",
"nsites": 8,
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{
"id": "mp-11027",
"created_at": "2022-09-04T14:44:57.713884Z",
"structure_string": "Cs6 Hg40\n1.0\n11.654230 0.000000 0.000000\n0.000000 11.654230 0.000000\n0.000000 0.000000 11.654230\nCs Hg\n6 40\ndirect\n0.000000 0.250000 0.500000 Cs\n0.000000 0.750000 0.500000 Cs\n0.500000 0.000000 0.750000 Cs\n0.500000 0.000000 0.250000 Cs\n0.750000 0.500000 0.000000 Cs\n0.250000 0.500000 0.000000 Cs\n0.500000 0.634594 0.754980 Hg\n0.365406 0.754980 0.500000 Hg\n0.634594 0.245020 0.500000 Hg\n0.000000 0.254980 0.134594 Hg\n0.134594 0.000000 0.254980 Hg\n0.865406 0.000000 0.254980 Hg\n0.000000 0.745020 0.865406 Hg\n0.865406 0.000000 0.745020 Hg\n0.000000 0.745020 0.134594 Hg\n0.000000 0.254980 0.865406 Hg\n0.134594 0.000000 0.745020 Hg\n0.254980 0.865406 0.000000 Hg\n0.745020 0.134594 0.000000 Hg\n0.745020 0.865406 0.000000 Hg\n0.634594 0.754980 0.500000 Hg\n0.365406 0.245020 0.500000 Hg\n0.500000 0.365406 0.754980 Hg\n0.500000 0.365406 0.245020 Hg\n0.245020 0.500000 0.634594 Hg\n0.245020 0.500000 0.365406 Hg\n0.250000 0.250000 0.250000 Hg\n0.750000 0.250000 0.750000 Hg\n0.750000 0.750000 0.250000 Hg\n0.250000 0.750000 0.750000 Hg\n0.750000 0.750000 0.750000 Hg\n0.250000 0.750000 0.250000 Hg\n0.250000 0.250000 0.750000 Hg\n0.750000 0.250000 0.250000 Hg\n0.250000 0.000000 0.500000 Hg\n0.750000 0.000000 0.500000 Hg\n0.000000 0.500000 0.250000 Hg\n0.000000 0.500000 0.750000 Hg\n0.500000 0.750000 0.000000 Hg\n0.500000 0.250000 0.000000 Hg\n0.500000 0.634594 0.245020 Hg\n0.754980 0.500000 0.365406 Hg\n0.754980 0.500000 0.634594 Hg\n0.254980 0.134594 0.000000 Hg\n0.500000 0.500000 0.500000 Hg\n0.000000 0.000000 0.000000 Hg\n",
"nsites": 46,
"nelements": 2,
"elements": [
"Cs",
"Hg"
],
"chemical_system": "Cs-Hg",
"density": 9.25375028392393,
"density_atomic": 0.029060767328140877,
"volume": 1582.890068957542,
"volume_molar": 20.722580006235706,
"formula_full": "Cs6 Hg40",
"formula_reduced": "Cs3Hg20",
"formula_anonymous": "A3B20",
"energy": -24.29604179,
"energy_per_atom": -0.5281748215217391,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -24.29604179,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0740662,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:54.012000Z",
"spacegroup": 223
}
]
}