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{
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"results": [
{
"id": "mp-998606",
"created_at": "2022-09-04T14:44:11.628746Z",
"structure_string": "Rb2 Tl2 Br6\n1.0\n7.124917 -4.114640 0.000000\n7.124917 4.114640 0.000000\n4.748712 0.000000 6.718961\nRb Tl Br\n2 2 6\ndirect\n0.726402 0.726402 0.726402 Rb\n0.226402 0.226402 0.226402 Rb\n0.995387 0.995387 0.995387 Tl\n0.495387 0.495387 0.495387 Tl\n0.755456 0.173320 0.320934 Br\n0.173320 0.320934 0.755456 Br\n0.320934 0.755456 0.173320 Br\n0.820934 0.673320 0.255456 Br\n0.255456 0.820934 0.673320 Br\n0.673320 0.255456 0.820934 Br\n",
"nsites": 10,
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"formula_full": "Rb2 Tl2 Br6",
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},
{
"id": "mp-989539",
"created_at": "2022-09-04T14:47:56.028362Z",
"structure_string": "Rb2 Al1 Tl1 H6\n1.0\n0.000000 4.343365 4.343365\n4.343365 0.000000 4.343365\n4.343365 4.343365 0.000000\nRb Al Tl H\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750000 0.750000 Rb\n0.500000 0.500000 0.500000 Al\n0.000000 0.000000 0.000000 Tl\n0.294156 0.705844 0.705844 H\n0.294156 0.705844 0.294156 H\n0.705844 0.294156 0.705844 H\n0.705844 0.705844 0.294156 H\n0.294156 0.294156 0.705844 H\n0.705844 0.294156 0.294156 H\n",
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"Tl",
"H"
],
"chemical_system": "Al-H-Rb-Tl",
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"density_atomic": 0.061022644188122324,
"volume": 163.87359369698433,
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"formula_full": "Rb2 Al1 Tl1 H6",
"formula_reduced": "Rb2AlTlH6",
"formula_anonymous": "ABC2D6",
"energy": -30.42935127,
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"total_magnetization": 4.79e-05,
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"updated_at": "2021-11-28T01:38:16.121000Z",
"spacegroup": 225
},
{
"id": "mp-567240",
"created_at": "2022-09-04T14:41:19.081852Z",
"structure_string": "Ba1 Mn2 Sb2\n1.0\n-2.265153 2.265153 6.471912\n2.265153 -2.265153 6.471912\n2.265153 2.265153 -6.471912\nBa Mn Sb\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ba\n0.750000 0.250000 0.500000 Mn\n0.250000 0.750000 0.500000 Mn\n0.636233 0.636233 0.000000 Sb\n0.363767 0.363767 0.000000 Sb\n",
"nsites": 5,
"nelements": 3,
"elements": [
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"Mn",
"Sb"
],
"chemical_system": "Ba-Mn-Sb",
"density": 6.134764734780979,
"density_atomic": 0.03764283516300641,
"volume": 132.8274020367563,
"volume_molar": 15.998106237009143,
"formula_full": "Ba1 Mn2 Sb2",
"formula_reduced": "Ba(MnSb)2",
"formula_anonymous": "AB2C2",
"energy": -30.42811045,
"energy_per_atom": -6.085622089999999,
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"is_magnetic": true,
"total_magnetization": 7.5778142,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:19.119000Z",
"spacegroup": 139
},
{
"id": "mp-1183808",
"created_at": "2022-09-04T14:39:23.518581Z",
"structure_string": "Dy1 Lu1 Ir2\n1.0\n0.000000 3.392409 3.392409\n3.392409 0.000000 3.392409\n3.392409 3.392409 0.000000\nDy Lu Ir\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Dy\n0.000000 0.000000 0.000000 Lu\n0.250000 0.250000 0.250000 Ir\n0.750000 0.750000 0.750000 Ir\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Dy-Ir-Lu",
"density": 15.3522532211588,
"density_atomic": 0.051227761099060194,
"volume": 78.08266288009574,
"volume_molar": 11.755619669489088,
"formula_full": "Dy1 Lu1 Ir2",
"formula_reduced": "DyLuIr2",
"formula_anonymous": "ABC2",
"energy": -30.4276448,
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"energy_uncorrected": -30.4276448,
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"updated_at": "2021-11-28T01:34:31.861000Z",
"spacegroup": 225
},
{
"id": "mp-675543",
"created_at": "2022-09-04T14:47:18.045614Z",
"structure_string": "Bi2 Pb1 Se4\n1.0\n13.451061 -2.122548 0.000000\n13.451061 2.122548 0.000000\n13.116128 0.000000 3.661073\nBi Pb Se\n2 1 4\ndirect\n0.427745 0.427745 0.427745 Bi\n0.572255 0.572255 0.572255 Bi\n0.000000 0.000000 0.000000 Pb\n0.132385 0.132385 0.132385 Se\n0.286917 0.286917 0.286917 Se\n0.713083 0.713083 0.713083 Se\n0.867615 0.867615 0.867615 Se\n",
"nsites": 7,
"nelements": 3,
"elements": [
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],
"chemical_system": "Bi-Pb-Se",
"density": 7.47457739895918,
"density_atomic": 0.033484636849959816,
"volume": 209.05109502504283,
"volume_molar": 17.984787432470625,
"formula_full": "Bi2 Pb1 Se4",
"formula_reduced": "Bi2PbSe4",
"formula_anonymous": "AB2C4",
"energy": -30.42249331,
"energy_per_atom": -4.346070472857143,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:38:00.380000Z",
"spacegroup": 166
},
{
"id": "mp-1224849",
"created_at": "2022-09-04T14:41:52.113337Z",
"structure_string": "Ga2 Ag2 Te1 Se3\n1.0\n3.060610 6.482169 0.000000\n-3.060610 6.482169 0.000000\n0.000000 2.854990 5.477046\nGa Ag Te Se\n2 2 1 3\ndirect\n0.745675 0.513218 0.610228 Ga\n0.486782 0.254325 0.389772 Ga\n0.261883 0.994374 0.129249 Ag\n0.005626 0.738117 0.870751 Ag\n0.853108 0.146892 0.000000 Te\n0.400108 0.599892 0.500000 Se\n0.123414 0.376595 0.280037 Se\n0.623405 0.876586 0.719963 Se\n",
"nsites": 8,
"nelements": 4,
"elements": [
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"Ag",
"Te",
"Se"
],
"chemical_system": "Ag-Ga-Se-Te",
"density": 5.498866596064178,
"density_atomic": 0.03681164798761681,
"volume": 217.32251711988405,
"volume_molar": 16.359334855168143,
"formula_full": "Ga2 Ag2 Te1 Se3",
"formula_reduced": "Ga2Ag2TeSe3",
"formula_anonymous": "AB2C2D3",
"energy": -30.42211479,
"energy_per_atom": -3.80276434875,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:35:37.633000Z",
"spacegroup": 5
},
{
"id": "mp-1219760",
"created_at": "2022-09-04T14:39:18.026652Z",
"structure_string": "Rb2 Cd3 Sn1 As4\n1.0\n2.259905 9.486512 0.000000\n-2.259905 9.486512 0.000000\n0.000000 3.233845 7.164003\nRb Cd Sn As\n2 3 1 4\ndirect\n0.494621 0.494621 0.507163 Rb\n0.996397 0.996397 0.001823 Rb\n0.197298 0.197298 0.481384 Cd\n0.319791 0.319791 0.028347 Cd\n0.815266 0.815266 0.504539 Cd\n0.690273 0.690273 0.965247 Sn\n0.362849 0.362849 0.307527 As\n0.845688 0.845688 0.817096 As\n0.637520 0.637520 0.695638 As\n0.141209 0.141209 0.191236 As\n",
"nsites": 10,
"nelements": 4,
"elements": [
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"Cd",
"Sn",
"As"
],
"chemical_system": "As-Cd-Rb-Sn",
"density": 5.008901489776839,
"density_atomic": 0.03255498517085576,
"volume": 307.17261726638145,
"volume_molar": 18.498367387957558,
"formula_full": "Rb2 Cd3 Sn1 As4",
"formula_reduced": "Rb2Cd3SnAs4",
"formula_anonymous": "AB2C3D4",
"energy": -30.420984,
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"updated_at": "2021-11-28T01:34:32.490000Z",
"spacegroup": 8
},
{
"id": "mp-866284",
"created_at": "2022-09-04T14:41:30.217804Z",
"structure_string": "Al2 Ir1 Os1\n1.0\n0.000000 3.015849 3.015849\n3.015849 0.000000 3.015849\n3.015849 3.015849 0.000000\nAl Ir Os\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Al\n0.750000 0.750000 0.750000 Al\n0.500000 0.500000 0.500000 Ir\n0.000000 0.000000 0.000000 Os\n",
"nsites": 4,
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"elements": [
"Al",
"Ir",
"Os"
],
"chemical_system": "Al-Ir-Os",
"density": 13.209460872420294,
"density_atomic": 0.07291237019576129,
"volume": 54.860375396664,
"volume_molar": 8.259422569628786,
"formula_full": "Al2 Ir1 Os1",
"formula_reduced": "Al2IrOs",
"formula_anonymous": "ABC2",
"energy": -30.41963407,
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"updated_at": "2021-11-28T01:35:30.211000Z",
"spacegroup": 225
},
{
"id": "mp-1180757",
"created_at": "2022-09-04T14:44:41.699957Z",
"structure_string": "K2 N4\n1.0\n1.575144 5.539005 0.000000\n-1.575144 5.539005 0.000000\n0.000000 0.000000 5.592986\nK N\n2 4\ndirect\n0.873773 0.873773 0.790332 K\n0.126227 0.126227 0.290332 K\n0.873788 0.873788 0.292992 N\n0.126212 0.126212 0.792992 N\n0.621568 0.621568 0.793677 N\n0.378432 0.378432 0.293677 N\n",
"nsites": 6,
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"spacegroup": 63
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{
"id": "mp-1075851",
"created_at": "2022-09-04T14:41:16.471666Z",
"structure_string": "Mg6 Si4\n1.0\n4.446018 0.000000 0.000000\n-1.349120 5.320499 0.000000\n-0.255834 -1.487979 8.645108\nMg Si\n6 4\ndirect\n0.654711 0.797873 0.046155 Mg\n0.345289 0.202127 0.953845 Mg\n0.900789 0.503065 0.767691 Mg\n0.099211 0.496935 0.232309 Mg\n0.281770 0.101783 0.609495 Mg\n0.718230 0.898217 0.390505 Mg\n0.391257 0.620357 0.600875 Si\n0.608743 0.379643 0.399125 Si\n0.759265 0.977185 0.768919 Si\n0.240735 0.022815 0.231081 Si\n",
"nsites": 10,
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"formula_full": "Mg6 Si4",
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{
"id": "mp-989535",
"created_at": "2022-09-04T14:47:03.085079Z",
"structure_string": "Cs2 Al1 In1 H6\n1.0\n0.000000 4.422041 4.422041\n4.422041 0.000000 4.422041\n4.422041 4.422041 0.000000\nCs Al In H\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Cs\n0.750000 0.750000 0.750000 Cs\n0.500000 0.500000 0.500000 Al\n0.000000 0.000000 0.000000 In\n0.296409 0.703591 0.703591 H\n0.296409 0.703591 0.296409 H\n0.703591 0.296409 0.703591 H\n0.703591 0.703591 0.296409 H\n0.296409 0.296409 0.703591 H\n0.703591 0.296409 0.296409 H\n",
"nsites": 10,
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"elements": [
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"In",
"H"
],
"chemical_system": "Al-Cs-H-In",
"density": 3.9718452691834187,
"density_atomic": 0.05782314504155942,
"volume": 172.94112924526445,
"volume_molar": 10.414758235083351,
"formula_full": "Cs2 Al1 In1 H6",
"formula_reduced": "Cs2AlInH6",
"formula_anonymous": "ABC2D6",
"energy": -30.416657970000003,
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"updated_at": "2021-11-28T01:37:53.072000Z",
"spacegroup": 225
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{
"id": "mp-19726",
"created_at": "2022-09-04T14:40:16.556316Z",
"structure_string": "Sc3 In1 B1\n1.0\n4.688983 0.000000 0.000000\n0.000000 4.688983 0.000000\n0.000000 0.000000 4.688983\nSc In B\n3 1 1\ndirect\n0.000000 0.500000 0.500000 Sc\n0.500000 0.500000 0.000000 Sc\n0.500000 0.000000 0.500000 Sc\n0.000000 0.000000 0.000000 In\n0.500000 0.500000 0.500000 B\n",
"nsites": 5,
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"density": 4.195806088921819,
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"updated_at": "2021-11-28T01:34:53.442000Z",
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}
]
}