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{
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{
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{
"id": "mp-11806",
"created_at": "2022-09-04T14:40:33.549506Z",
"structure_string": "Li1 Mg1 Sn1 Pt1\n1.0\n0.000000 3.249276 3.249276\n3.249276 0.000000 3.249276\n3.249276 3.249276 0.000000\nLi Mg Sn Pt\n1 1 1 1\ndirect\n0.750000 0.750000 0.750000 Li\n0.500000 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 Sn\n0.250000 0.250000 0.250000 Pt\n",
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{
"id": "mp-1110888",
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"structure_string": "K2 Na1 Y1 Br6\n1.0\n0.000000 5.675765 5.675765\n5.675765 0.000000 5.675765\n5.675765 5.675765 0.000000\nK Na Y Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Y\n0.754467 0.245533 0.245533 Br\n0.245533 0.245533 0.754467 Br\n0.245533 0.754467 0.754467 Br\n0.245533 0.754467 0.245533 Br\n0.754467 0.245533 0.754467 Br\n0.754467 0.754467 0.245533 Br\n",
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{
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"spacegroup": 71
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{
"id": "mp-1010136",
"created_at": "2022-09-04T14:44:11.209318Z",
"structure_string": "Cu1\n1.0\n-1.468820 1.468820 1.376023\n1.468820 -1.468820 1.376023\n1.468820 1.468820 -1.376023\nCu\n1\ndirect\n0.000000 0.000000 0.000000 Cu\n",
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{
"id": "mp-1111159",
"created_at": "2022-09-04T14:42:51.834739Z",
"structure_string": "K3 Ta1 Br6\n1.0\n0.000000 5.732869 5.732869\n5.732869 0.000000 5.732869\n5.732869 5.732869 0.000000\nK Ta Br\n3 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 Ta\n0.771071 0.228929 0.228929 Br\n0.228929 0.228929 0.771071 Br\n0.228929 0.771071 0.771071 Br\n0.228929 0.771071 0.228929 Br\n0.771071 0.228929 0.771071 Br\n0.771071 0.771071 0.228929 Br\n",
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{
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{
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"id": "mp-1227576",
"created_at": "2022-09-04T14:39:45.926811Z",
"structure_string": "Cu81 Sn22\n1.0\n11.069064 -6.374596 0.000000\n11.069064 6.374596 0.000000\n7.397980 0.000000 10.412952\nCu Sn\n81 22\ndirect\n0.422709 0.077243 0.422709 Cu\n0.422709 0.422709 0.077243 Cu\n0.077243 0.422709 0.422709 Cu\n0.077357 0.077357 0.422628 Cu\n0.422628 0.077357 0.077357 Cu\n0.077357 0.422628 0.077357 Cu\n0.548628 0.548628 0.548628 Cu\n0.548805 0.353912 0.548805 Cu\n0.353912 0.548805 0.548805 Cu\n0.548805 0.548805 0.353912 Cu\n0.531128 0.757171 0.531128 Cu\n0.531128 0.531128 0.757171 Cu\n0.757171 0.531128 0.531128 Cu\n0.531081 0.180440 0.531081 Cu\n0.757905 0.180730 0.530504 Cu\n0.530504 0.180730 0.757905 Cu\n0.180730 0.530504 0.757905 Cu\n0.180730 0.757905 0.530504 Cu\n0.180440 0.531081 0.531081 Cu\n0.757905 0.530504 0.180730 Cu\n0.531081 0.531081 0.180440 Cu\n0.530504 0.757905 0.180730 Cu\n0.762007 0.056053 0.762007 Cu\n0.762007 0.762007 0.056053 Cu\n0.056053 0.762007 0.762007 Cu\n0.765094 0.418353 0.765094 Cu\n0.054652 0.418501 0.763965 Cu\n0.763965 0.418501 0.054652 Cu\n0.418501 0.763965 0.054652 Cu\n0.418501 0.054652 0.763965 Cu\n0.418353 0.765094 0.765094 Cu\n0.054652 0.763965 0.418501 Cu\n0.765094 0.765094 0.418353 Cu\n0.763965 0.054652 0.418501 Cu\n0.416742 0.416742 0.416742 Cu\n0.415996 0.750907 0.415996 Cu\n0.750907 0.415996 0.415996 Cu\n0.415996 0.415996 0.750907 Cu\n0.803899 0.803899 0.803899 Cu\n0.804158 0.587211 0.804158 Cu\n0.587211 0.804158 0.804158 Cu\n0.804158 0.804158 0.587211 Cu\n0.019729 0.291823 0.019729 Cu\n0.019729 0.019729 0.291823 Cu\n0.291823 0.019729 0.019729 Cu\n0.018530 0.667784 0.018530 Cu\n0.294465 0.670300 0.017040 Cu\n0.017040 0.670300 0.294465 Cu\n0.670300 0.017040 0.294465 Cu\n0.670300 0.294465 0.017040 Cu\n0.667784 0.018530 0.018530 Cu\n0.294465 0.017040 0.670300 Cu\n0.018530 0.018530 0.667784 Cu\n0.017040 0.294465 0.670300 Cu\n0.165574 0.165574 0.165574 Cu\n0.164786 0.506206 0.164786 Cu\n0.506206 0.164786 0.164786 Cu\n0.164786 0.164786 0.506206 Cu\n0.300796 0.300796 0.300796 Cu\n0.301077 0.097137 0.301077 Cu\n0.097137 0.301077 0.301077 Cu\n0.301077 0.301077 0.097137 Cu\n0.666634 0.666634 0.666634 Cu\n0.666507 0.999944 0.666507 Cu\n0.999944 0.666507 0.666507 Cu\n0.666507 0.666507 0.999944 Cu\n0.671549 0.328688 0.671549 Cu\n0.671549 0.671549 0.328688 Cu\n0.328688 0.671549 0.671549 Cu\n0.328382 0.328382 0.671231 Cu\n0.671231 0.328382 0.328382 Cu\n0.328382 0.671231 0.328382 Cu\n0.179257 0.821490 0.179257 Cu\n0.179257 0.179257 0.821490 Cu\n0.821490 0.179257 0.179257 Cu\n0.820285 0.820285 0.180238 Cu\n0.180238 0.820285 0.820285 Cu\n0.820285 0.180238 0.820285 Cu\n0.056461 0.826580 0.056461 Cu\n0.826580 0.056461 0.056461 Cu\n0.056461 0.056461 0.826580 Cu\n0.932451 0.567010 0.932451 Sn\n0.932451 0.932451 0.567010 Sn\n0.567010 0.932451 0.932451 Sn\n0.567447 0.567447 0.932648 Sn\n0.932648 0.567447 0.567447 Sn\n0.567447 0.932648 0.567447 Sn\n0.911755 0.911755 0.911755 Sn\n0.918301 0.252225 0.918301 Sn\n0.252225 0.918301 0.918301 Sn\n0.918301 0.918301 0.252225 Sn\n0.267605 0.550667 0.267605 Sn\n0.267605 0.267605 0.550667 Sn\n0.550667 0.267605 0.267605 Sn\n0.266948 0.914338 0.266948 Sn\n0.550629 0.914020 0.268008 Sn\n0.268008 0.914020 0.550629 Sn\n0.914020 0.268008 0.550629 Sn\n0.914020 0.550629 0.268008 Sn\n0.914338 0.266948 0.266948 Sn\n0.550629 0.268008 0.914020 Sn\n0.266948 0.266948 0.914338 Sn\n0.268008 0.550629 0.914020 Sn\n",
"nsites": 103,
"nelements": 2,
"elements": [
"Cu",
"Sn"
],
"chemical_system": "Cu-Sn",
"density": 8.767561136446718,
"density_atomic": 0.0700922172227018,
"volume": 1469.4926780920816,
"volume_molar": 8.591739566271732,
"formula_full": "Cu81 Sn22",
"formula_reduced": "Cu81Sn22",
"formula_anonymous": "A22B81",
"energy": -418.57346302,
"energy_per_atom": -4.0638200293203885,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -418.57346302,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.1580553,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:31.605000Z",
"spacegroup": 160
}
]
}