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{
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"results": [
{
"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",
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"volume": 2252.642494256752,
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"formula_full": "Rb2 Na1 Hg1",
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"updated_at": "2021-11-28T01:38:12.453000Z",
"spacegroup": 71
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{
"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,
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"elements": [
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],
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"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,
"energy_per_atom": -0.5179121091304348,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:34:41.199000Z",
"spacegroup": 223
},
{
"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",
"nsites": 14,
"nelements": 2,
"elements": [
"Mg",
"Si"
],
"chemical_system": "Mg-Si",
"density": 2.286132609085723,
"density_atomic": 0.05310433395447125,
"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-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",
"nsites": 4,
"nelements": 3,
"elements": [
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"Rb",
"Na"
],
"chemical_system": "Cs-Na-Rb",
"density": 0.14958377980745732,
"density_atomic": 0.0009627469504032807,
"volume": 4154.778156736262,
"volume_molar": 625.5164721609777,
"formula_full": "Cs2 Rb1 Na1",
"formula_reduced": "Cs2RbNa",
"formula_anonymous": "ABC2",
"energy": -2.04388011,
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"updated_at": "2021-11-28T01:34:49.887000Z",
"spacegroup": 71
},
{
"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,
"nelements": 3,
"elements": [
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"Li",
"Cd"
],
"chemical_system": "Ba-Cd-Li",
"density": 0.33684173757418245,
"density_atomic": 0.0020593679875085323,
"volume": 1942.3434880326008,
"volume_molar": 292.4266472300424,
"formula_full": "Ba2 Li1 Cd1",
"formula_reduced": "Ba2LiCd",
"formula_anonymous": "ABC2",
"energy": -2.02714608,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:37:05.828000Z",
"spacegroup": 71
},
{
"id": "mp-30475",
"created_at": "2022-09-04T14:39:43.058340Z",
"structure_string": "Ca3 Hg33\n1.0\n9.999947 0.000000 0.000000\n0.000000 9.999947 0.000000\n0.000000 0.000000 9.999947\nCa Hg\n3 33\ndirect\n0.500000 0.000000 0.000000 Ca\n0.000000 0.000000 0.500000 Ca\n0.000000 0.500000 0.000000 Ca\n0.500000 0.500000 0.500000 Hg\n0.152639 0.152639 0.152639 Hg\n0.152639 0.847361 0.152639 Hg\n0.152639 0.152639 0.847361 Hg\n0.847361 0.152639 0.152639 Hg\n0.847361 0.847361 0.152639 Hg\n0.152639 0.847361 0.847361 Hg\n0.847361 0.152639 0.847361 Hg\n0.847361 0.847361 0.847361 Hg\n0.000000 0.343017 0.343017 Hg\n0.000000 0.656983 0.343017 Hg\n0.000000 0.343017 0.656983 Hg\n0.343017 0.343017 0.000000 Hg\n0.656983 0.343017 0.000000 Hg\n0.656983 0.000000 0.343017 Hg\n0.343017 0.000000 0.343017 Hg\n0.656983 0.656983 0.000000 Hg\n0.343017 0.000000 0.656983 Hg\n0.656983 0.000000 0.656983 Hg\n0.343017 0.656983 0.000000 Hg\n0.000000 0.656983 0.656983 Hg\n0.500000 0.263321 0.263321 Hg\n0.500000 0.736679 0.263321 Hg\n0.500000 0.263321 0.736679 Hg\n0.263321 0.263321 0.500000 Hg\n0.736679 0.263321 0.500000 Hg\n0.736679 0.500000 0.263321 Hg\n0.263321 0.500000 0.263321 Hg\n0.736679 0.736679 0.500000 Hg\n0.263321 0.500000 0.736679 Hg\n0.736679 0.500000 0.736679 Hg\n0.263321 0.736679 0.500000 Hg\n0.500000 0.736679 0.736679 Hg\n",
"nsites": 36,
"nelements": 2,
"elements": [
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"Hg"
],
"chemical_system": "Ca-Hg",
"density": 11.191719736720971,
"density_atomic": 0.03600057240606749,
"volume": 999.98410008427,
"volume_molar": 16.727902801303895,
"formula_full": "Ca3 Hg33",
"formula_reduced": "CaHg11",
"formula_anonymous": "AB11",
"energy": -17.62950224,
"energy_per_atom": -0.48970839555555556,
"energy_above_hull": null,
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"energy_uncorrected": -17.62950224,
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"updated_at": "2021-11-28T01:34:35.207000Z",
"spacegroup": 221
},
{
"id": "mp-1095948",
"created_at": "2022-09-04T14:41:18.588834Z",
"structure_string": "Cs2 K1 Na1\n1.0\n-7.600400 8.869333 11.004045\n7.600400 -8.869333 11.004045\n7.600400 8.869333 -11.004045\nCs K Na\n2 1 1\ndirect\n0.762948 0.000000 0.762948 Cs\n0.237052 0.000000 0.237052 Cs\n0.500000 0.000000 0.500000 K\n0.000000 0.000000 0.000000 Na\n",
"nsites": 4,
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"elements": [
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"K",
"Na"
],
"chemical_system": "Cs-K-Na",
"density": 0.18350563074914727,
"density_atomic": 0.001348094175014361,
"volume": 2967.1517570034666,
"volume_molar": 446.7151384239048,
"formula_full": "Cs2 K1 Na1",
"formula_reduced": "Cs2KNa",
"formula_anonymous": "ABC2",
"energy": -1.95109073,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:18.575000Z",
"spacegroup": 71
},
{
"id": "mp-1096680",
"created_at": "2022-09-04T14:40:42.367484Z",
"structure_string": "Li1 Ca1 Hg2\n1.0\n-6.141254 6.237536 8.802758\n6.141254 -6.237536 8.802758\n6.141254 6.237536 -8.802758\nLi Ca Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.500000 Ca\n0.000000 0.225422 0.225422 Hg\n0.000000 0.774578 0.774578 Hg\n",
"nsites": 4,
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"elements": [
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"Ca",
"Hg"
],
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"density": 0.5517865389777867,
"density_atomic": 0.002965590024382735,
"volume": 1348.8041054604537,
"volume_molar": 203.06720451871843,
"formula_full": "Li1 Ca1 Hg2",
"formula_reduced": "LiCaHg2",
"formula_anonymous": "ABC2",
"energy": -1.94900028,
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"updated_at": "2021-11-28T01:35:08.713000Z",
"spacegroup": 71
},
{
"id": "mp-1096603",
"created_at": "2022-09-04T14:42:01.724522Z",
"structure_string": "Ba2 Li1 Hg1\n1.0\n-6.795938 7.135771 9.598488\n6.795938 -7.135771 9.598488\n6.795938 7.135771 -9.598488\nBa Li Hg\n2 1 1\ndirect\n0.262365 0.000000 0.262365 Ba\n0.737635 0.000000 0.737635 Ba\n0.000000 0.000000 0.000000 Li\n0.500000 0.000000 0.500000 Hg\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Ba-Hg-Li",
"density": 0.43004080240054776,
"density_atomic": 0.0021483590285839775,
"volume": 1861.8861869826633,
"volume_molar": 280.313517427732,
"formula_full": "Ba2 Li1 Hg1",
"formula_reduced": "Ba2LiHg",
"formula_anonymous": "ABC2",
"energy": -1.94482554,
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"updated_at": "2021-11-28T01:35:30.818000Z",
"spacegroup": 71
},
{
"id": "mp-1096595",
"created_at": "2022-09-04T14:46:09.294087Z",
"structure_string": "Sr2 Li1 Zn1\n1.0\n-6.432329 7.143491 9.092268\n6.432329 -7.143491 9.092268\n6.432329 7.143491 -9.092268\nSr Li Zn\n2 1 1\ndirect\n0.747380 0.000000 0.747380 Sr\n0.252620 0.000000 0.252620 Sr\n0.000000 0.000000 0.000000 Li\n0.500000 0.000000 0.500000 Zn\n",
"nsites": 4,
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"elements": [
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"Li",
"Zn"
],
"chemical_system": "Li-Sr-Zn",
"density": 0.24602045999429512,
"density_atomic": 0.0023935859129005093,
"volume": 1671.132829802154,
"volume_molar": 251.59492824314233,
"formula_full": "Sr2 Li1 Zn1",
"formula_reduced": "Sr2LiZn",
"formula_anonymous": "ABC2",
"energy": -1.94171988,
"energy_per_atom": -0.48542997,
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"updated_at": "2021-11-28T01:37:20.929000Z",
"spacegroup": 71
},
{
"id": "mp-1095754",
"created_at": "2022-09-04T14:41:45.209904Z",
"structure_string": "Sr2 Li1 Cd1\n1.0\n-6.709643 7.236002 9.486992\n6.709643 -7.236002 9.486992\n6.709643 7.236002 -9.486992\nSr Li Cd\n2 1 1\ndirect\n0.250489 0.000000 0.250489 Sr\n0.749512 0.000000 0.749511 Sr\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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"Cd"
],
"chemical_system": "Cd-Li-Sr",
"density": 0.26551155679415317,
"density_atomic": 0.0021710677397535397,
"volume": 1842.4114212364839,
"volume_molar": 277.381522912944,
"formula_full": "Sr2 Li1 Cd1",
"formula_reduced": "Sr2LiCd",
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"energy": -1.9306816,
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"updated_at": "2021-11-28T01:35:25.089000Z",
"spacegroup": 71
},
{
"id": "mp-1097633",
"created_at": "2022-09-04T14:43:23.559708Z",
"structure_string": "Cs2 K1 Rb1\n1.0\n-8.415320 9.573233 11.904341\n8.415320 -9.573233 11.904341\n8.415320 9.573233 -11.904341\nCs K Rb\n2 1 1\ndirect\n0.750383 0.000000 0.750383 Cs\n0.249617 0.000000 0.249617 Cs\n0.000000 0.000000 0.000000 K\n0.500000 0.000000 0.500000 Rb\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Cs-K-Rb",
"density": 0.16898132440069383,
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"volume": 3836.1414659944217,
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"formula_full": "Cs2 K1 Rb1",
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"updated_at": "2021-11-28T01:36:16.213000Z",
"spacegroup": 71
}
]
}