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{
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"results": [
{
"id": "mp-1226757",
"created_at": "2022-09-04T14:42:45.577913Z",
"structure_string": "Cd1 Hg2\n1.0\n0.000000 0.000000 -3.388909\n-1.996539 1.996539 1.694455\n6.080794 6.080794 1.694455\nCd Hg\n1 2\ndirect\n0.000000 0.000000 0.000000 Cd\n0.664943 0.000000 0.329885 Hg\n0.335057 0.000000 0.670115 Hg\n",
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"volume": 82.28638661847386,
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"formula_full": "Cd1 Hg2",
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"spacegroup": 69
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{
"id": "mp-1097272",
"created_at": "2022-09-04T14:39:28.590871Z",
"structure_string": "Sr2 Li1 Mg1\n1.0\n-6.712454 7.375467 9.493325\n6.712454 -7.375467 9.493325\n6.712454 7.375467 -9.493325\nSr Li Mg\n2 1 1\ndirect\n0.753374 0.000000 0.753374 Sr\n0.246626 0.000000 0.246626 Sr\n0.000000 0.000000 0.000000 Li\n0.500000 0.000000 0.500000 Mg\n",
"nsites": 4,
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"chemical_system": "Li-Mg-Sr",
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"volume": 1879.9625029134916,
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"formula_full": "Sr2 Li1 Mg1",
"formula_reduced": "Sr2LiMg",
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"updated_at": "2021-11-28T01:34:32.555000Z",
"spacegroup": 71
},
{
"id": "mp-1395639",
"created_at": "2022-09-04T14:43:17.626611Z",
"structure_string": "Na2 Li4 Ru12 O24\n1.0\n5.624188 0.000000 0.000000\n-0.111659 9.510035 0.000000\n-2.717174 -4.770714 8.205799\nNa Li Ru O\n2 4 12 24\ndirect\n0.751513 0.983784 0.001110 Na\n0.248487 0.016216 0.998890 Na\n0.299584 0.664101 0.664813 Li\n0.700416 0.335899 0.335187 Li\n0.805591 0.670607 0.668041 Li\n0.194409 0.329393 0.331959 Li\n0.468027 0.977010 0.358351 Ru\n0.531973 0.022990 0.641649 Ru\n0.920516 0.983358 0.361391 Ru\n0.079484 0.016642 0.638609 Ru\n0.841563 0.343848 0.018822 Ru\n0.158437 0.656152 0.981178 Ru\n0.385762 0.335664 0.020280 Ru\n0.614238 0.664336 0.979720 Ru\n0.183153 0.645388 0.340032 Ru\n0.816847 0.354612 0.659968 Ru\n0.727602 0.635863 0.340169 Ru\n0.272398 0.364137 0.659831 Ru\n0.585757 0.525851 0.594317 O\n0.414243 0.474149 0.405683 O\n0.071959 0.548796 0.593781 O\n0.928041 0.451204 0.406219 O\n0.323769 0.729900 0.098173 O\n0.676231 0.270100 0.901827 O\n0.830847 0.698773 0.097729 O\n0.169153 0.301227 0.902271 O\n0.021924 0.174594 0.722739 O\n0.978076 0.825406 0.277261 O\n0.518109 0.203921 0.698642 O\n0.481891 0.796079 0.301358 O\n0.276455 0.095309 0.202915 O\n0.723545 0.904691 0.797085 O\n0.785060 0.102131 0.174254 O\n0.214940 0.897869 0.825746 O\n0.591952 0.861047 0.551657 O\n0.408048 0.138953 0.448343 O\n0.111287 0.875329 0.525787 O\n0.888713 0.124671 0.474213 O\n0.450599 0.585203 0.863397 O\n0.549401 0.414797 0.136603 O\n0.933141 0.598901 0.874884 O\n0.066859 0.401099 0.125116 O\n",
"nsites": 42,
"nelements": 4,
"elements": [
"Na",
"Li",
"Ru",
"O"
],
"chemical_system": "Li-Na-O-Ru",
"density": 6.3204897611096085,
"density_atomic": 0.09569438835073722,
"volume": 438.8972093751455,
"volume_molar": 6.293097081019805,
"formula_full": "Na2 Li4 Ru12 O24",
"formula_reduced": "NaLi2(RuO2)6",
"formula_anonymous": "AB2C6D12",
"energy": -19.68927667,
"energy_per_atom": -0.4687923016666667,
"energy_above_hull": null,
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"energy_uncorrected": -8.52927667,
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"is_magnetic": true,
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"updated_at": "2021-11-28T01:36:01.970000Z",
"spacegroup": 2
},
{
"id": "mp-1095776",
"created_at": "2022-09-04T14:41:49.726763Z",
"structure_string": "Li1 Cd2 Hg1\n1.0\n-5.825904 5.915522 8.365056\n5.825904 -5.915522 8.365056\n5.825904 5.915522 -8.365056\nLi Cd Hg\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.241485 0.241485 Cd\n0.000000 0.758515 0.758515 Cd\n0.000000 0.500000 0.500000 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"Cd",
"Hg"
],
"chemical_system": "Cd-Hg-Li",
"density": 0.6225902746649679,
"density_atomic": 0.0034687639693816727,
"volume": 1153.1485091829477,
"volume_molar": 173.6105659870966,
"formula_full": "Li1 Cd2 Hg1",
"formula_reduced": "LiCd2Hg",
"formula_anonymous": "ABC2",
"energy": -1.87938963,
"energy_per_atom": -0.4698474075,
"energy_above_hull": null,
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"decomposes_to": null,
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"energy_uncorrected": -1.87938963,
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"total_magnetization": 0.0029032,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:25.840000Z",
"spacegroup": 71
},
{
"id": "mp-1096727",
"created_at": "2022-09-04T14:40:26.280361Z",
"structure_string": "Ba2 Li1 Mg1\n1.0\n-6.975387 7.610045 9.866200\n6.975387 -7.610045 9.866200\n6.975387 7.610045 -9.866200\nBa Li Mg\n2 1 1\ndirect\n0.749958 0.000000 0.749958 Ba\n0.250042 0.000000 0.250042 Ba\n0.000000 0.000000 0.000000 Li\n0.500000 0.000000 0.500000 Mg\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"Li",
"Mg"
],
"chemical_system": "Ba-Li-Mg",
"density": 0.24247286038432367,
"density_atomic": 0.00190938959950159,
"volume": 2094.910332099915,
"volume_molar": 315.39612248710085,
"formula_full": "Ba2 Li1 Mg1",
"formula_reduced": "Ba2LiMg",
"formula_anonymous": "ABC2",
"energy": -1.88659108,
"energy_per_atom": -0.47164777,
"energy_above_hull": null,
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"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -1.88659108,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:05.849000Z",
"spacegroup": 71
},
{
"id": "mp-1093699",
"created_at": "2022-09-04T14:39:36.521986Z",
"structure_string": "Li1 Mg1 Hg2\n1.0\n-5.735928 5.804145 8.205321\n5.735928 -5.804145 8.205321\n5.735928 5.804145 -8.205321\nLi Mg Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.500000 Mg\n0.000000 0.239725 0.239725 Hg\n0.000000 0.760275 0.760275 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"Mg",
"Hg"
],
"chemical_system": "Hg-Li-Mg",
"density": 0.6571482929291771,
"density_atomic": 0.0036606860101666633,
"volume": 1092.6913668342422,
"volume_molar": 164.50853045781508,
"formula_full": "Li1 Mg1 Hg2",
"formula_reduced": "LiMgHg2",
"formula_anonymous": "ABC2",
"energy": -1.91274908,
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"energy_above_hull": null,
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"energy_uncorrected": -1.91274908,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:34:30.145000Z",
"spacegroup": 71
},
{
"id": "mp-30488",
"created_at": "2022-09-04T14:41:05.505628Z",
"structure_string": "Cd1 Hg2\n1.0\n-2.052865 2.052865 4.492229\n2.052865 -2.052865 4.492229\n2.052865 2.052865 -4.492229\nCd Hg\n1 2\ndirect\n0.000000 0.000000 0.000000 Cd\n0.333281 0.333281 0.000000 Hg\n0.666719 0.666719 0.000000 Hg\n",
"nsites": 3,
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"elements": [
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],
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"density": 11.262215753654495,
"density_atomic": 0.03961672725657278,
"volume": 75.72558885469955,
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"formula_full": "Cd1 Hg2",
"formula_reduced": "CdHg2",
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"energy": -1.43586019,
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"energy_above_hull": null,
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"energy_uncorrected": -1.43586019,
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"updated_at": "2021-11-28T01:35:13.752000Z",
"spacegroup": 139
},
{
"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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"K",
"Rb"
],
"chemical_system": "Cs-K-Rb",
"density": 0.16898132440069383,
"density_atomic": 0.0010427144138082775,
"volume": 3836.1414659944217,
"volume_molar": 577.544597087279,
"formula_full": "Cs2 K1 Rb1",
"formula_reduced": "Cs2KRb",
"formula_anonymous": "ABC2",
"energy": -1.91478787,
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"updated_at": "2021-11-28T01:36:16.213000Z",
"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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],
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"density": 0.26551155679415317,
"density_atomic": 0.0021710677397535397,
"volume": 1842.4114212364839,
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"formula_full": "Sr2 Li1 Cd1",
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"energy": -1.9306816,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:25.089000Z",
"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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],
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"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,
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"energy_above_hull": null,
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"updated_at": "2021-11-28T01:37:20.929000Z",
"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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],
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"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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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:30.818000Z",
"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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],
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"density": 0.5517865389777867,
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"volume": 1348.8041054604537,
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"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
}
]
}