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{
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"results": [
{
"id": "mp-1209039",
"created_at": "2022-09-04T14:39:19.911073Z",
"structure_string": "Sm4 Be2 Ga4 O14\n1.0\n0.000000 0.000000 5.202593\n7.677227 0.000000 0.000000\n0.000000 7.677227 0.000000\nSm Be Ga O\n4 2 4 14\ndirect\n0.519218 0.166033 0.666033 Sm\n0.519218 0.833967 0.333967 Sm\n0.480782 0.666033 0.833967 Sm\n0.480782 0.333967 0.166033 Sm\n0.000000 0.000000 0.000000 Be\n0.000000 0.500000 0.500000 Be\n0.971931 0.651281 0.151281 Ga\n0.971931 0.348719 0.848719 Ga\n0.028069 0.151281 0.348719 Ga\n0.028069 0.848719 0.651281 Ga\n0.199332 0.000000 0.500000 O\n0.800668 0.500000 0.000000 O\n0.323472 0.635057 0.135057 O\n0.323472 0.364943 0.864943 O\n0.676528 0.135057 0.364943 O\n0.676528 0.864943 0.635057 O\n0.195119 0.094439 0.142913 O\n0.195119 0.905561 0.857087 O\n0.804881 0.142913 0.905561 O\n0.804881 0.405561 0.642913 O\n0.804881 0.857087 0.094439 O\n0.804881 0.594439 0.357087 O\n0.195119 0.357087 0.405561 O\n0.195119 0.642913 0.594439 O\n",
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"elements": [
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],
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"formula_full": "Sm4 Be2 Ga4 O14",
"formula_reduced": "Sm2BeGa2O7",
"formula_anonymous": "AB2C2D7",
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{
"id": "mp-1206263",
"created_at": "2022-09-04T14:39:23.322466Z",
"structure_string": "Tm3 Mg3 Ag3\n1.0\n3.852361 -6.672485 0.000000\n3.852361 6.672485 0.000000\n0.000000 0.000000 4.050624\nTm Mg Ag\n3 3 3\ndirect\n0.589207 0.000000 0.000000 Tm\n0.000000 0.589207 0.000000 Tm\n0.410793 0.410793 0.000000 Tm\n0.249686 0.000000 0.500000 Mg\n0.000000 0.249686 0.500000 Mg\n0.750314 0.750314 0.500000 Mg\n0.333333 0.666667 0.500000 Ag\n0.666667 0.333333 0.500000 Ag\n0.000000 0.000000 0.000000 Ag\n",
"nsites": 9,
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"elements": [
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"Mg",
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],
"chemical_system": "Ag-Mg-Tm",
"density": 7.20319686816054,
"density_atomic": 0.04321912782921351,
"volume": 208.2411296119804,
"volume_molar": 13.933971050497224,
"formula_full": "Tm3 Mg3 Ag3",
"formula_reduced": "TmMgAg",
"formula_anonymous": "ABC",
"energy": -29.13047252,
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"updated_at": "2021-11-28T01:34:35.780000Z",
"spacegroup": 189
},
{
"id": "mp-1233274",
"created_at": "2022-09-04T14:39:16.618064Z",
"structure_string": "Rb2 Ba8 Ca1 Sb6 O2\n1.0\n8.628227 -0.362976 -3.897241\n-2.303270 8.100155 -3.847982\n0.005252 0.116575 10.481182\nRb Ba Ca Sb O\n2 8 1 6 2\ndirect\n0.004023 0.007531 0.000075 Rb\n0.412672 0.412425 0.813199 Rb\n0.507862 0.722325 0.693136 Ba\n0.197720 0.987446 0.701439 Ba\n0.827233 0.038844 0.325834 Ba\n0.992663 0.545517 0.741157 Ba\n0.512950 0.300494 0.326332 Ba\n0.759015 0.206102 0.739476 Ba\n0.025877 0.487532 0.292951 Ba\n0.272541 0.823989 0.292633 Ba\n0.589407 0.593189 0.171396 Ca\n0.825264 0.641277 0.022549 Sb\n0.618643 0.144945 0.012831 Sb\n0.208297 0.396029 0.024005 Sb\n0.406036 0.878861 0.012746 Sb\n0.219716 0.227055 0.428940 Sb\n0.776251 0.773196 0.537503 Sb\n0.771596 0.271484 0.532356 O\n0.257949 0.763188 0.506442 O\n",
"nsites": 19,
"nelements": 5,
"elements": [
"Rb",
"Ba",
"Ca",
"Sb",
"O"
],
"chemical_system": "Ba-Ca-O-Rb-Sb",
"density": 4.721022122730373,
"density_atomic": 0.02606821539564864,
"volume": 728.856951334364,
"volume_molar": 23.101469236000053,
"formula_full": "Rb2 Ba8 Ca1 Sb6 O2",
"formula_reduced": "Rb2Ba8Ca(Sb3O)2",
"formula_anonymous": "AB2C2D6E8",
"energy": -79.21344337,
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"total_magnetization": 0.0,
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"updated_at": "2021-11-28T01:34:30.694000Z",
"spacegroup": 5
},
{
"id": "mp-1209425",
"created_at": "2022-09-04T14:39:22.627675Z",
"structure_string": "Sm46 Cd8 Ir14\n1.0\n4.963618 -8.597239 0.000000\n4.963618 8.597239 0.000000\n0.000000 0.000000 22.314563\nSm Cd Ir\n46 8 14\ndirect\n0.206985 0.413971 0.720461 Sm\n0.206985 0.793015 0.720461 Sm\n0.793015 0.586029 0.220461 Sm\n0.586029 0.793015 0.720461 Sm\n0.793015 0.206985 0.220461 Sm\n0.413971 0.206985 0.220461 Sm\n0.792950 0.585900 0.946881 Sm\n0.792950 0.207050 0.946881 Sm\n0.207050 0.414100 0.446881 Sm\n0.414100 0.207050 0.946881 Sm\n0.207050 0.792950 0.446881 Sm\n0.585900 0.792950 0.446881 Sm\n0.208810 0.417620 0.989915 Sm\n0.208810 0.791190 0.989915 Sm\n0.791190 0.582380 0.489915 Sm\n0.582380 0.791190 0.989915 Sm\n0.791190 0.208810 0.489915 Sm\n0.417620 0.208810 0.489915 Sm\n0.872360 0.744720 0.636027 Sm\n0.872360 0.127640 0.636027 Sm\n0.127640 0.255280 0.136027 Sm\n0.255280 0.127640 0.636027 Sm\n0.127640 0.872360 0.136027 Sm\n0.744720 0.872360 0.136027 Sm\n0.459500 0.919000 0.855936 Sm\n0.459500 0.540500 0.855936 Sm\n0.540500 0.081000 0.355936 Sm\n0.081000 0.540500 0.855936 Sm\n0.540500 0.459500 0.355936 Sm\n0.919000 0.459500 0.355936 Sm\n0.000000 0.000000 0.997973 Sm\n0.000000 0.000000 0.497973 Sm\n0.460881 0.921761 0.585434 Sm\n0.460881 0.539119 0.585434 Sm\n0.539119 0.078239 0.085434 Sm\n0.078239 0.539119 0.585434 Sm\n0.539119 0.460881 0.085434 Sm\n0.921761 0.460881 0.085434 Sm\n0.797310 0.594620 0.782431 Sm\n0.797310 0.202690 0.782431 Sm\n0.202690 0.405380 0.282431 Sm\n0.405380 0.202690 0.782431 Sm\n0.202690 0.797310 0.282431 Sm\n0.594620 0.797310 0.282431 Sm\n0.666667 0.333333 0.644950 Sm\n0.333333 0.666667 0.144950 Sm\n0.000000 0.000000 0.750051 Cd\n0.000000 0.000000 0.250051 Cd\n0.107253 0.214505 0.863434 Cd\n0.107253 0.892747 0.863434 Cd\n0.892747 0.785495 0.363434 Cd\n0.785495 0.892747 0.863434 Cd\n0.892747 0.107253 0.363434 Cd\n0.214505 0.107253 0.363434 Cd\n0.520730 0.041461 0.709538 Ir\n0.520730 0.479270 0.709538 Ir\n0.479270 0.958539 0.209538 Ir\n0.958539 0.479270 0.709538 Ir\n0.479270 0.520730 0.209538 Ir\n0.041461 0.520730 0.209538 Ir\n0.666667 0.333333 0.863540 Ir\n0.333333 0.666667 0.363540 Ir\n0.143789 0.287578 0.563345 Ir\n0.143789 0.856211 0.563345 Ir\n0.856211 0.712422 0.063345 Ir\n0.712422 0.856211 0.563345 Ir\n0.856211 0.143789 0.063345 Ir\n0.287578 0.143789 0.063345 Ir\n",
"nsites": 68,
"nelements": 3,
"elements": [
"Sm",
"Cd",
"Ir"
],
"chemical_system": "Cd-Ir-Sm",
"density": 9.16109495913389,
"density_atomic": 0.03570534057142464,
"volume": 1904.4770029282713,
"volume_molar": 16.866218508554386,
"formula_full": "Sm46 Cd8 Ir14",
"formula_reduced": "Sm23Cd4Ir7",
"formula_anonymous": "A4B7C23",
"energy": -379.42425225,
"energy_per_atom": -5.579768415441176,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -379.42425225,
"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:34:41.241000Z",
"spacegroup": 186
},
{
"id": "mp-1185369",
"created_at": "2022-09-04T14:39:22.704033Z",
"structure_string": "Li1 Lu1 In2\n1.0\n0.000000 3.600212 3.600212\n3.600212 0.000000 3.600212\n3.600212 3.600212 0.000000\nLi Lu In\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Lu\n0.750000 0.750000 0.750000 In\n0.250000 0.250000 0.250000 In\n",
"nsites": 4,
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"elements": [
"Li",
"Lu",
"In"
],
"chemical_system": "In-Li-Lu",
"density": 7.322361245203213,
"density_atomic": 0.04285936874737221,
"volume": 93.32848609080945,
"volume_molar": 14.050932003913914,
"formula_full": "Li1 Lu1 In2",
"formula_reduced": "LiLuIn2",
"formula_anonymous": "ABC2",
"energy": -13.31662915,
"energy_per_atom": -3.3291572875,
"energy_above_hull": null,
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"total_magnetization": 3.81e-05,
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"updated_at": "2021-11-28T01:34:40.034000Z",
"spacegroup": 225
},
{
"id": "mp-865494",
"created_at": "2022-09-04T14:39:16.645358Z",
"structure_string": "V2 Cr1 Ru1\n1.0\n0.000000 2.962938 2.962938\n2.962938 0.000000 2.962938\n2.962938 2.962938 0.000000\nV Cr Ru\n2 1 1\ndirect\n0.750000 0.750000 0.750000 V\n0.250000 0.250000 0.250000 V\n0.500000 0.500000 0.500000 Cr\n0.000000 0.000000 0.000000 Ru\n",
"nsites": 4,
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"elements": [
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"Cr",
"Ru"
],
"chemical_system": "Cr-Ru-V",
"density": 8.137760298066473,
"density_atomic": 0.07688866209456169,
"volume": 52.02327483707015,
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"formula_full": "V2 Cr1 Ru1",
"formula_reduced": "V2CrRu",
"formula_anonymous": "ABC2",
"energy": -38.07221535,
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"updated_at": "2021-11-28T01:34:43.019000Z",
"spacegroup": 225
},
{
"id": "mp-1194826",
"created_at": "2022-09-04T14:39:16.647352Z",
"structure_string": "K8 Cd4 Sn4 S16\n1.0\n5.609404 5.637445 0.000000\n-5.609404 5.637445 0.000000\n0.000000 2.253253 15.048427\nK Cd Sn S\n8 4 4 16\ndirect\n0.854641 0.727302 0.119819 K\n0.272698 0.145359 0.380181 K\n0.145359 0.272698 0.880181 K\n0.727302 0.854641 0.619819 K\n0.344473 0.721502 0.117313 K\n0.278498 0.655527 0.382687 K\n0.655527 0.278498 0.882687 K\n0.721502 0.344473 0.617313 K\n0.912803 0.808879 0.839513 Cd\n0.191121 0.087197 0.660487 Cd\n0.087197 0.191121 0.160487 Cd\n0.808879 0.912803 0.339513 Cd\n0.407407 0.795647 0.850140 Sn\n0.204353 0.592593 0.649860 Sn\n0.592593 0.204353 0.149860 Sn\n0.795647 0.407407 0.350140 Sn\n0.146271 0.758825 0.944559 S\n0.241175 0.853729 0.555441 S\n0.853729 0.241175 0.055441 S\n0.758825 0.146271 0.444559 S\n0.633444 0.739729 0.941936 S\n0.260271 0.366556 0.558064 S\n0.366556 0.260271 0.058064 S\n0.739729 0.633444 0.441936 S\n0.911681 0.088319 0.750000 S\n0.088319 0.911681 0.250000 S\n0.936795 0.561572 0.739159 S\n0.438428 0.063205 0.760841 S\n0.063205 0.438428 0.260841 S\n0.561572 0.936795 0.239159 S\n0.435235 0.564765 0.750000 S\n0.564765 0.435235 0.250000 S\n",
"nsites": 32,
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"elements": [
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],
"chemical_system": "Cd-K-S-Sn",
"density": 3.053824194384999,
"density_atomic": 0.0336224873690709,
"volume": 951.7439816019258,
"volume_molar": 17.91105070215515,
"formula_full": "K8 Cd4 Sn4 S16",
"formula_reduced": "K2CdSnS4",
"formula_anonymous": "ABC2D4",
"energy": -130.01872156,
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"updated_at": "2021-11-28T01:34:36.284000Z",
"spacegroup": 15
}
]
}