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{
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{
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{
"id": "mp-30794",
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"structure_string": "Na30 Sn8\n1.0\n-6.585974 6.585974 6.585974\n6.585974 -6.585974 6.585974\n6.585974 6.585974 -6.585974\nNa Sn\n30 8\ndirect\n0.625000 0.375000 0.250000 Na\n0.250000 0.625000 0.375000 Na\n0.750000 0.875000 0.125000 Na\n0.125000 0.750000 0.875000 Na\n0.375000 0.250000 0.625000 Na\n0.875000 0.125000 0.750000 Na\n0.085340 0.277393 0.115816 Na\n0.692052 0.030475 0.914660 Na\n0.884184 0.469525 0.161577 Na\n0.161577 0.884184 0.469525 Na\n0.338423 0.807948 0.722607 Na\n0.722607 0.338423 0.807948 Na\n0.030475 0.914660 0.692052 Na\n0.222607 0.307948 0.838423 Na\n0.192052 0.414660 0.530475 Na\n0.969525 0.384184 0.661577 Na\n0.307948 0.838423 0.222607 Na\n0.530475 0.192052 0.414660 Na\n0.384184 0.661577 0.969525 Na\n0.115816 0.085340 0.277393 Na\n0.277393 0.115816 0.085340 Na\n0.838423 0.222607 0.307948 Na\n0.414660 0.530475 0.192052 Na\n0.661577 0.969525 0.384184 Na\n0.615816 0.777393 0.585340 Na\n0.585340 0.615816 0.777393 Na\n0.777393 0.585340 0.615816 Na\n0.807948 0.722607 0.338423 Na\n0.914660 0.692052 0.030475 Na\n0.469525 0.161577 0.884184 Na\n0.418169 0.418169 0.418169 Sn\n0.500000 0.000000 0.581831 Sn\n0.581831 0.500000 0.000000 Sn\n0.000000 0.581831 0.500000 Sn\n0.081831 0.500000 0.000000 Sn\n0.000000 0.081831 0.500000 Sn\n0.500000 0.000000 0.081831 Sn\n0.918169 0.918169 0.918169 Sn\n",
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{
"id": "mp-567395",
"created_at": "2022-09-04T14:40:00.974222Z",
"structure_string": "Li30 Au8\n1.0\n-5.412847 5.412847 5.412847\n5.412847 -5.412847 5.412847\n5.412847 5.412847 -5.412847\nLi Au\n30 8\ndirect\n0.379974 0.656442 0.960245 Li\n0.039755 0.919729 0.696197 Li\n0.696197 0.039755 0.919729 Li\n0.750000 0.875000 0.125000 Li\n0.460245 0.156442 0.879974 Li\n0.120026 0.080271 0.276468 Li\n0.419729 0.539755 0.196197 Li\n0.580271 0.620026 0.776468 Li\n0.776468 0.580271 0.620026 Li\n0.539755 0.196197 0.419729 Li\n0.723532 0.343558 0.803803 Li\n0.156442 0.879974 0.460245 Li\n0.843558 0.223532 0.303803 Li\n0.080271 0.276468 0.120026 Li\n0.196197 0.419729 0.539755 Li\n0.375000 0.250000 0.625000 Li\n0.960245 0.379974 0.656442 Li\n0.125000 0.750000 0.875000 Li\n0.620026 0.776468 0.580271 Li\n0.656442 0.960245 0.379974 Li\n0.343558 0.803803 0.723532 Li\n0.276468 0.120026 0.080271 Li\n0.803803 0.723532 0.343558 Li\n0.223532 0.303803 0.843558 Li\n0.919729 0.696197 0.039755 Li\n0.879974 0.460245 0.156442 Li\n0.875000 0.125000 0.750000 Li\n0.303803 0.843558 0.223532 Li\n0.250000 0.625000 0.375000 Li\n0.625000 0.375000 0.250000 Li\n0.000000 0.086774 0.500000 Au\n0.913226 0.913226 0.913226 Au\n0.413226 0.413226 0.413226 Au\n0.086774 0.500000 0.000000 Au\n0.500000 0.000000 0.086774 Au\n0.500000 0.000000 0.586774 Au\n0.000000 0.586774 0.500000 Au\n0.586774 0.500000 0.000000 Au\n",
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{
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{
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"structure_string": "Cr8 O30\n1.0\n0.000000 -7.941671 0.000000\n-9.019276 0.000000 -0.102969\n-0.416764 0.000000 -9.308276\nCr O\n8 30\ndirect\n0.112261 0.564136 0.441124 Cr\n0.887739 0.564136 0.941124 Cr\n0.919758 0.880309 0.306754 Cr\n0.080242 0.880309 0.806754 Cr\n0.440560 0.557139 0.670241 Cr\n0.559440 0.557139 0.170241 Cr\n0.419054 0.212578 0.721293 Cr\n0.580946 0.212578 0.221293 Cr\n0.981442 0.540879 0.569314 O\n0.018558 0.540879 0.069314 O\n0.316792 0.569869 0.804259 O\n0.683208 0.569869 0.304259 O\n0.061313 0.728695 0.338037 O\n0.938687 0.728695 0.838037 O\n0.537985 0.379521 0.684844 O\n0.462015 0.379521 0.184844 O\n0.796617 0.904361 0.439133 O\n0.203383 0.904361 0.939133 O\n0.101894 0.423387 0.345124 O\n0.898106 0.423387 0.845124 O\n0.322372 0.575863 0.509443 O\n0.677628 0.575863 0.009442 O\n0.559069 0.040089 0.731051 O\n0.440931 0.040089 0.231051 O\n0.049725 0.060279 0.285712 O\n0.950275 0.060279 0.785712 O\n0.818397 0.869785 0.158925 O\n0.181603 0.869785 0.658925 O\n0.329869 0.218099 0.874291 O\n0.670131 0.218099 0.374291 O\n0.582803 0.681492 0.673710 O\n0.417197 0.681492 0.173710 O\n0.284730 0.194556 0.595203 O\n0.715271 0.194556 0.095203 O\n0.420087 0.956294 0.344259 O\n0.579913 0.956294 0.844259 O\n0.924587 0.130680 0.665675 O\n0.075413 0.130680 0.165675 O\n",
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{
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{
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"id": "mp-675248",
"created_at": "2022-09-04T14:42:54.408361Z",
"structure_string": "Sr4 Bi14 O25\n1.0\n3.700335 0.000000 0.000000\n-0.940052 10.641946 0.000000\n-0.545740 -5.122695 21.700223\nSr Bi O\n4 14 25\ndirect\n0.460407 0.002907 0.836110 Sr\n0.931893 0.965227 0.678560 Sr\n0.347525 0.012340 0.444498 Sr\n0.321665 0.976131 0.294853 Sr\n0.040736 0.034812 0.989486 Bi\n0.635224 0.352383 0.957278 Bi\n0.052988 0.300370 0.788848 Bi\n0.868144 0.697950 0.877133 Bi\n0.490039 0.228023 0.616854 Bi\n0.355107 0.663851 0.712191 Bi\n0.951557 0.302362 0.404763 Bi\n0.968702 0.497989 0.569233 Bi\n0.628140 0.746789 0.529591 Bi\n0.802278 0.046947 0.158812 Bi\n0.288404 0.505710 0.241586 Bi\n0.153373 0.388550 0.093356 Bi\n0.752753 0.682214 0.166125 Bi\n0.225561 0.688470 0.011075 Bi\n0.583827 0.123339 0.952803 O\n0.026738 0.556555 0.345749 O\n0.976526 0.102955 0.786447 O\n0.939205 0.898398 0.881817 O\n0.986510 0.269969 0.544780 O\n0.122616 0.329452 0.895014 O\n0.401505 0.937831 0.586881 O\n0.411956 0.867553 0.725932 O\n0.301466 0.104524 0.211885 O\n0.003505 0.217907 0.678509 O\n0.901484 0.184731 0.483079 O\n0.040835 0.951587 0.564444 O\n0.680806 0.569027 0.966814 O\n0.559630 0.362992 0.301989 O\n0.839406 0.969364 0.372295 O\n0.674977 0.554298 0.343983 O\n0.413924 0.192381 0.380238 O\n0.894923 0.328855 0.299773 O\n0.067075 0.180992 0.079237 O\n0.774193 0.885181 0.212297 O\n0.893026 0.861680 0.073083 O\n0.510252 0.508889 0.505873 O\n0.310571 0.655593 0.808992 O\n0.634093 0.876362 0.022848 O\n0.536505 0.432559 0.634237 O\n",
"nsites": 43,
"nelements": 3,
"elements": [
"Sr",
"Bi",
"O"
],
"chemical_system": "Bi-O-Sr",
"density": 7.14366082487135,
"density_atomic": 0.05032017749268528,
"volume": 854.5279874310983,
"volume_molar": 11.967646101557172,
"formula_full": "Sr4 Bi14 O25",
"formula_reduced": "Sr4Bi14O25",
"formula_anonymous": "A4B14C25",
"energy": -232.94961652,
"energy_per_atom": -5.417432942325582,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -228.92461652,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003067,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:55.403000Z",
"spacegroup": 1
}
]
}