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{
"id": "mp-1207051",
"created_at": "2022-09-04T14:45:22.131741Z",
"structure_string": "K1 Sm3 O6\n1.0\n5.770127 -7.413154 0.000000\n5.770127 7.413154 0.000000\n0.000000 0.000000 30.176177\nK Sm O\n1 3 6\ndirect\n0.000000 0.000000 0.000000 K\n0.000000 0.000000 0.500000 Sm\n0.500000 0.000000 0.000000 Sm\n0.000000 0.500000 0.000000 Sm\n0.000000 0.000000 0.230596 O\n0.000000 0.000000 0.769404 O\n0.296758 0.035809 0.000000 O\n0.703242 0.964191 0.000000 O\n0.035809 0.296758 0.000000 O\n0.964191 0.703242 0.000000 O\n",
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"formula_full": "K1 Sm3 O6",
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{
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"structure_string": "Mg1 Zr1 Zn2\n1.0\n-5.671327 5.863030 8.168669\n5.671327 -5.863030 8.168669\n5.671327 5.863030 -8.168669\nMg Zr Zn\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Mg\n0.000000 0.500000 0.500000 Zr\n0.000000 0.251637 0.251637 Zn\n0.000000 0.748363 0.748363 Zn\n",
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{
"id": "mp-1097405",
"created_at": "2022-09-04T14:44:19.318170Z",
"structure_string": "Sc2 Cd1 Ga1\n1.0\n-5.724604 6.154295 8.539208\n5.724604 -6.154295 8.539208\n5.724604 6.154295 -8.539208\nSc Cd Ga\n2 1 1\ndirect\n0.000000 0.230902 0.230902 Sc\n0.000000 0.769098 0.769098 Sc\n0.000000 0.500000 0.500000 Cd\n0.000000 0.000000 0.000000 Ga\n",
"nsites": 4,
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"density": 0.3753961531925013,
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"volume": 1203.3759931091683,
"volume_molar": 181.17249044270505,
"formula_full": "Sc2 Cd1 Ga1",
"formula_reduced": "Sc2CdGa",
"formula_anonymous": "ABC2",
"energy": -8.69436242,
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"updated_at": "2021-11-28T01:36:32.218000Z",
"spacegroup": 71
},
{
"id": "mp-1213671",
"created_at": "2022-09-04T14:42:06.977542Z",
"structure_string": "Cu1 Sn3 F6\n1.0\n-11.035860 0.000000 0.000000\n5.361303 10.189257 0.000000\n-0.410449 -3.116185 -21.044162\nCu Sn F\n1 3 6\ndirect\n0.000000 0.000000 0.000000 Cu\n0.000000 0.000000 0.500000 Sn\n0.500000 0.500000 0.000000 Sn\n0.500000 0.000000 0.000000 Sn\n0.398648 0.005321 0.082311 F\n0.601352 0.994679 0.917689 F\n0.922024 0.926812 0.407227 F\n0.077976 0.073188 0.592773 F\n0.708716 0.618645 0.995571 F\n0.291284 0.381355 0.004429 F\n",
"nsites": 10,
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"elements": [
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"density": 0.374488631379788,
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"volume": 2366.357382730313,
"volume_molar": 142.50537247267138,
"formula_full": "Cu1 Sn3 F6",
"formula_reduced": "CuSn3F6",
"formula_anonymous": "AB3C6",
"energy": -39.45231492,
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"updated_at": "2021-11-28T01:35:33.898000Z",
"spacegroup": 2
},
{
"id": "mp-1211623",
"created_at": "2022-09-04T14:39:15.669734Z",
"structure_string": "Sr2 Mn1 Sn2\n1.0\n8.688456 0.000000 0.000000\n0.000000 8.688456 0.000000\n0.000000 0.000000 27.486471\nSr Mn Sn\n2 1 2\ndirect\n0.500000 0.500000 0.670838 Sr\n0.500000 0.500000 0.329162 Sr\n0.500000 0.500000 0.000000 Mn\n0.500000 0.500000 0.215147 Sn\n0.500000 0.500000 0.784853 Sn\n",
"nsites": 5,
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"elements": [
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],
"chemical_system": "Mn-Sn-Sr",
"density": 0.37421189465573396,
"density_atomic": 0.002409715704074322,
"volume": 2074.933566456015,
"volume_molar": 249.91084009693873,
"formula_full": "Sr2 Mn1 Sn2",
"formula_reduced": "Sr2MnSn2",
"formula_anonymous": "AB2C2",
"energy": -10.02784783,
"energy_per_atom": -2.005569566,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:34:42.879000Z",
"spacegroup": 123
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{
"id": "mp-1206232",
"created_at": "2022-09-04T14:48:10.079041Z",
"structure_string": "Nd2 Cd1 Sb3\n1.0\n9.108975 0.000000 0.000000\n0.000000 9.108975 0.000000\n0.000000 0.000000 41.011323\nNd Cd Sb\n2 1 3\ndirect\n0.500000 0.500000 0.242870 Nd\n0.500000 0.500000 0.757130 Nd\n0.500000 0.500000 0.500000 Cd\n0.500000 0.500000 0.690898 Sb\n0.500000 0.500000 0.309102 Sb\n0.500000 0.500000 0.000000 Sb\n",
"nsites": 6,
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"elements": [
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"Sb"
],
"chemical_system": "Cd-Nd-Sb",
"density": 0.37388175674075,
"density_atomic": 0.001763227905478751,
"volume": 3402.8499556731335,
"volume_molar": 341.54069030372284,
"formula_full": "Nd2 Cd1 Sb3",
"formula_reduced": "Nd2CdSb3",
"formula_anonymous": "AB2C3",
"energy": -11.8522232,
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"updated_at": "2021-11-28T01:38:33.257000Z",
"spacegroup": 123
},
{
"id": "mp-1206966",
"created_at": "2022-09-04T14:46:36.005758Z",
"structure_string": "Tm2 Te3\n1.0\n9.473164 0.000000 0.000000\n0.000000 9.473164 0.000000\n0.000000 0.000000 35.693107\nTm Te\n2 3\ndirect\n0.500000 0.500000 0.284368 Tm\n0.500000 0.500000 0.715632 Tm\n0.500000 0.500000 0.642263 Te\n0.500000 0.500000 0.357737 Te\n0.500000 0.500000 0.000000 Te\n",
"nsites": 5,
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"elements": [
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"Te"
],
"chemical_system": "Te-Tm",
"density": 0.3736028007161054,
"density_atomic": 0.0015609735299766077,
"volume": 3203.1292677172614,
"volume_molar": 385.79390645338145,
"formula_full": "Tm2 Te3",
"formula_reduced": "Tm2Te3",
"formula_anonymous": "A2B3",
"energy": -12.20265057,
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"energy_above_hull": null,
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"updated_at": "2021-11-28T01:37:42.098000Z",
"spacegroup": 123
},
{
"id": "mp-1093836",
"created_at": "2022-09-04T14:39:08.552209Z",
"structure_string": "Sc2 In1 Tc1\n1.0\n-5.140923 6.899033 9.484310\n5.140923 -6.899033 9.484310\n5.140923 6.899033 -9.484310\nSc In Tc\n2 1 1\ndirect\n0.000000 0.213831 0.213831 Sc\n0.000000 0.786169 0.786169 Sc\n0.000000 0.500000 0.500000 In\n0.000000 0.000000 0.000000 Tc\n",
"nsites": 4,
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"elements": [
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"In",
"Tc"
],
"chemical_system": "In-Sc-Tc",
"density": 0.3736020515776211,
"density_atomic": 0.0029727948358371542,
"volume": 1345.535168380895,
"volume_molar": 202.57505453800127,
"formula_full": "Sc2 In1 Tc1",
"formula_reduced": "Sc2InTc",
"formula_anonymous": "ABC2",
"energy": -16.23917371,
"energy_per_atom": -4.0597934275,
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"updated_at": "2021-11-28T01:34:40.170000Z",
"spacegroup": 71
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{
"id": "mp-1097338",
"created_at": "2022-09-04T14:39:16.740144Z",
"structure_string": "Ca2 Zn1 Pb1\n1.0\n-6.245206 6.669501 9.428726\n6.245206 -6.669501 9.428726\n6.245206 6.669501 -9.428726\nCa Zn Pb\n2 1 1\ndirect\n0.000000 0.257838 0.257838 Ca\n0.000000 0.742162 0.742162 Ca\n0.000000 0.000000 0.000000 Zn\n0.000000 0.500000 0.500000 Pb\n",
"nsites": 4,
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"elements": [
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"density": 0.37289062965291175,
"density_atomic": 0.002546284195575974,
"volume": 1570.9165563489637,
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"formula_full": "Ca2 Zn1 Pb1",
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"energy": -4.16892501,
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"updated_at": "2021-11-28T01:34:44.191000Z",
"spacegroup": 71
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{
"id": "mp-1096106",
"created_at": "2022-09-04T14:47:29.210842Z",
"structure_string": "Sr2 Cd1 Ga1\n1.0\n-6.538480 6.622402 9.199620\n6.538480 -6.622402 9.199620\n6.538480 6.622402 -9.199620\nSr Cd Ga\n2 1 1\ndirect\n0.770713 0.000000 0.770713 Sr\n0.229287 0.000000 0.229287 Sr\n0.500000 0.000000 0.500000 Cd\n0.000000 0.000000 0.000000 Ga\n",
"nsites": 4,
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"density": 0.37243443669715726,
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"volume": 1593.3904867923238,
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"formula_full": "Sr2 Cd1 Ga1",
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{
"id": "mp-1097271",
"created_at": "2022-09-04T14:40:06.088449Z",
"structure_string": "Li1 Y2 Ag1\n1.0\n-6.123758 6.134935 8.684483\n6.123758 -6.134935 8.684483\n6.123758 6.134935 -8.684483\nLi Y Ag\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.274459 0.274459 Y\n0.000000 0.725541 0.725541 Y\n0.000000 0.500000 0.500000 Ag\n",
"nsites": 4,
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"density": 0.3723252527144252,
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"volume": 1305.064409709393,
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"formula_full": "Li1 Y2 Ag1",
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"updated_at": "2021-11-28T01:34:47.693000Z",
"spacegroup": 71
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{
"id": "mp-1209649",
"created_at": "2022-09-04T14:47:17.139890Z",
"structure_string": "Sm2 Sb3 Au1\n1.0\n9.738592 0.000000 0.000000\n0.000000 9.738592 0.000000\n0.000000 0.000000 40.639337\nSm Sb Au\n2 3 1\ndirect\n0.500000 0.500000 0.248023 Sm\n0.500000 0.500000 0.751977 Sm\n0.500000 0.500000 0.685791 Sb\n0.500000 0.500000 0.314209 Sb\n0.500000 0.500000 0.000000 Sb\n0.500000 0.500000 0.500000 Au\n",
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"density": 0.37179548561155823,
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"volume": 3854.2417981142808,
"volume_molar": 386.84644385532835,
"formula_full": "Sm2 Sb3 Au1",
"formula_reduced": "Sm2Sb3Au",
"formula_anonymous": "AB2C3",
"energy": -11.58577626,
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"updated_at": "2021-11-28T01:38:03.591000Z",
"spacegroup": 123
}
]
}