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{
"id": "mp-1214690",
"created_at": "2022-09-04T14:42:09.295002Z",
"structure_string": "Be12 B12 P24 N12 O100\n1.0\n12.753330 0.000000 -0.000000\n-0.000000 12.753330 0.000000\n-0.000000 0.000000 12.753330\nBe B P N O\n12 12 24 12 100\ndirect\n0.182106 0.568160 0.374828 Be\n0.317894 0.431840 0.874828 Be\n0.817894 0.068160 0.125172 Be\n0.374828 0.182106 0.568160 Be\n0.682106 0.931840 0.625172 Be\n0.874828 0.317894 0.431840 Be\n0.125172 0.817894 0.068160 Be\n0.625172 0.682106 0.931840 Be\n0.568160 0.374828 0.182106 Be\n0.068160 0.125172 0.817894 Be\n0.931840 0.625172 0.682106 Be\n0.431840 0.874828 0.317894 Be\n0.124887 0.140031 0.389808 B\n0.375113 0.859969 0.889808 B\n0.875113 0.640031 0.110192 B\n0.389808 0.124887 0.140031 B\n0.624887 0.359969 0.610192 B\n0.889808 0.375113 0.859969 B\n0.110192 0.875113 0.640031 B\n0.610192 0.624887 0.359969 B\n0.140031 0.389808 0.124887 B\n0.640031 0.110192 0.875113 B\n0.359969 0.610192 0.624887 B\n0.859969 0.889808 0.375113 B\n0.089689 0.355725 0.337499 P\n0.410311 0.644275 0.837499 P\n0.910311 0.855725 0.162501 P\n0.337499 0.089689 0.355725 P\n0.589689 0.144275 0.662501 P\n0.837499 0.410311 0.644275 P\n0.162501 0.910311 0.855725 P\n0.662501 0.589689 0.144275 P\n0.355725 0.337499 0.089689 P\n0.855725 0.162501 0.910311 P\n0.144275 0.662501 0.589689 P\n0.644275 0.837499 0.410311 P\n0.087702 0.605747 0.160039 P\n0.412298 0.394253 0.660039 P\n0.912298 0.105747 0.339961 P\n0.160039 0.087702 0.605747 P\n0.587702 0.894253 0.839961 P\n0.660039 0.412298 0.394253 P\n0.339961 0.912298 0.105747 P\n0.839961 0.587702 0.894253 P\n0.605747 0.160039 0.087702 P\n0.105747 0.339961 0.912298 P\n0.894253 0.839961 0.587702 P\n0.394253 0.660039 0.412298 P\n0.375234 0.375234 0.375234 N\n0.124766 0.624766 0.875234 N\n0.624766 0.875234 0.124766 N\n0.875234 0.124766 0.624766 N\n0.649984 0.649984 0.649984 N\n0.850016 0.350016 0.149984 N\n0.350016 0.149984 0.850016 N\n0.149984 0.850016 0.350016 N\n0.099595 0.099595 0.099595 N\n0.400405 0.900405 0.599595 N\n0.900405 0.599595 0.400405 N\n0.599595 0.400405 0.900405 N\n0.086623 0.123420 0.692747 O\n0.413377 0.876580 0.192747 O\n0.913377 0.623420 0.807253 O\n0.692747 0.086623 0.123420 O\n0.586623 0.376580 0.307253 O\n0.192747 0.413377 0.876580 O\n0.807253 0.913377 0.623420 O\n0.307253 0.586623 0.376580 O\n0.123420 0.692747 0.086623 O\n0.623420 0.807253 0.913377 O\n0.376580 0.307253 0.586623 O\n0.876580 0.192747 0.413377 O\n0.131902 0.618384 0.269759 O\n0.368098 0.381616 0.769759 O\n0.868098 0.118384 0.230241 O\n0.269759 0.131902 0.618384 O\n0.631902 0.881616 0.730241 O\n0.769759 0.368098 0.381616 O\n0.230241 0.868098 0.118384 O\n0.730241 0.631902 0.881616 O\n0.618384 0.269759 0.131902 O\n0.118384 0.230241 0.868098 O\n0.881616 0.730241 0.631902 O\n0.381616 0.769759 0.368098 O\n0.161982 0.443389 0.373276 O\n0.338018 0.556611 0.873276 O\n0.838018 0.943389 0.126724 O\n0.373276 0.161982 0.443389 O\n0.661982 0.056611 0.626724 O\n0.873276 0.338018 0.556611 O\n0.126724 0.838018 0.943389 O\n0.626724 0.661982 0.056611 O\n0.443389 0.373276 0.161982 O\n0.943389 0.126724 0.838018 O\n0.056611 0.626724 0.661982 O\n0.556611 0.873276 0.338018 O\n0.034419 0.101945 0.329772 O\n0.465581 0.898055 0.829772 O\n0.965581 0.601945 0.170228 O\n0.329772 0.034419 0.101945 O\n0.534419 0.398055 0.670228 O\n0.829772 0.465581 0.898055 O\n0.170228 0.965581 0.601945 O\n0.670228 0.534419 0.398055 O\n0.101945 0.329772 0.034419 O\n0.601945 0.170228 0.965581 O\n0.398055 0.670228 0.534419 O\n0.898055 0.829772 0.465581 O\n0.143869 0.252696 0.373747 O\n0.356131 0.747304 0.873747 O\n0.856131 0.752696 0.126253 O\n0.373747 0.143869 0.252696 O\n0.643869 0.247304 0.626253 O\n0.873747 0.356131 0.747304 O\n0.126253 0.856131 0.752696 O\n0.626253 0.643869 0.247304 O\n0.252696 0.373747 0.143869 O\n0.752696 0.126253 0.856131 O\n0.247304 0.626253 0.643869 O\n0.747304 0.873747 0.356131 O\n0.873593 0.873593 0.873593 O\n0.626407 0.126407 0.373593 O\n0.126407 0.373593 0.626407 O\n0.373593 0.626407 0.126407 O\n0.132307 0.619440 0.479506 O\n0.367693 0.380560 0.979506 O\n0.867693 0.119440 0.020494 O\n0.479506 0.132307 0.619440 O\n0.632307 0.880560 0.520494 O\n0.979506 0.367693 0.380560 O\n0.020494 0.867693 0.119440 O\n0.520494 0.632307 0.880560 O\n0.619440 0.479506 0.132307 O\n0.119440 0.020494 0.867693 O\n0.880560 0.520494 0.632307 O\n0.380560 0.979506 0.367693 O\n0.080502 0.350729 0.215436 O\n0.419498 0.649271 0.715436 O\n0.919498 0.850729 0.284564 O\n0.215436 0.080502 0.350729 O\n0.580502 0.149271 0.784564 O\n0.715436 0.419498 0.649271 O\n0.284564 0.919498 0.850729 O\n0.784564 0.580502 0.149271 O\n0.350729 0.215436 0.080502 O\n0.850729 0.284564 0.919498 O\n0.149271 0.784564 0.580502 O\n0.649271 0.715436 0.419498 O\n0.106134 0.122576 0.502151 O\n0.393866 0.877424 0.002151 O\n0.893866 0.622576 0.997849 O\n0.502151 0.106134 0.122576 O\n0.606134 0.377424 0.497849 O\n0.002151 0.393866 0.877424 O\n0.997849 0.893866 0.622576 O\n0.497849 0.606134 0.377424 O\n0.122576 0.502151 0.106134 O\n0.622576 0.997849 0.893866 O\n0.377424 0.497849 0.606134 O\n0.877424 0.002151 0.393866 O\n",
"nsites": 160,
"nelements": 5,
"elements": [
"Be",
"B",
"P",
"N",
"O"
],
"chemical_system": "B-Be-N-O-P",
"density": 2.200875723351288,
"density_atomic": 0.07713459263794302,
"volume": 2074.2962985623512,
"volume_molar": 7.807315179930916,
"formula_full": "Be12 B12 P24 N12 O100",
"formula_reduced": "Be3B3P6N3O25",
"formula_anonymous": "A3B3C3D6E25",
"energy": -1156.71280887,
"energy_per_atom": -7.2294550554375,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1088.01280887,
"band_gap": 0.0201,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 33.4043126,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:33.698000Z",
"spacegroup": 213
},
{
"id": "mp-653631",
"created_at": "2022-09-04T14:41:58.608729Z",
"structure_string": "Ba8 Na32 Cu24 F96\n1.0\n-8.127937 8.127937 8.127937\n8.127937 -8.127937 8.127937\n8.127937 8.127937 -8.127937\nBa Na Cu F\n8 32 24 96\ndirect\n0.500000 0.000000 0.500000 Ba\n0.000000 0.000000 0.000000 Ba\n0.000000 0.500000 0.500000 Ba\n0.000000 0.000000 0.500000 Ba\n0.500000 0.000000 0.000000 Ba\n0.500000 0.500000 0.000000 Ba\n0.500000 0.500000 0.500000 Ba\n0.000000 0.500000 0.000000 Ba\n0.251896 0.251896 0.251896 Na\n0.250000 0.774462 0.524462 Na\n0.751896 0.500000 0.000000 Na\n0.748104 0.748104 0.748104 Na\n0.750000 0.225538 0.475538 Na\n0.504460 0.254460 0.250000 Na\n0.248104 0.500000 0.000000 Na\n0.000000 0.751896 0.500000 Na\n0.004460 0.754460 0.250000 Na\n0.754460 0.250000 0.004460 Na\n0.250000 0.274462 0.024462 Na\n0.995540 0.245540 0.750000 Na\n0.475538 0.750000 0.225538 Na\n0.750000 0.495540 0.745540 Na\n0.975538 0.750000 0.725538 Na\n0.274462 0.024462 0.250000 Na\n0.024462 0.250000 0.274462 Na\n0.000000 0.248104 0.500000 Na\n0.750000 0.995540 0.245540 Na\n0.245540 0.750000 0.995540 Na\n0.254460 0.250000 0.504460 Na\n0.745540 0.750000 0.495540 Na\n0.225538 0.475538 0.750000 Na\n0.500000 0.000000 0.248104 Na\n0.500000 0.000000 0.751896 Na\n0.250000 0.004460 0.754460 Na\n0.524462 0.250000 0.774462 Na\n0.774462 0.524462 0.250000 Na\n0.250000 0.504460 0.254460 Na\n0.725538 0.975538 0.750000 Na\n0.750000 0.725538 0.975538 Na\n0.495540 0.745540 0.750000 Na\n0.501145 0.501419 0.249911 Cu\n0.748766 0.749911 0.248492 Cu\n0.249911 0.501145 0.501419 Cu\n0.251234 0.250089 0.751508 Cu\n0.998855 0.248766 0.000273 Cu\n0.498855 0.498581 0.750089 Cu\n0.751234 0.999727 0.001145 Cu\n0.248766 0.000273 0.998855 Cu\n0.748492 0.998581 0.499727 Cu\n0.999727 0.001145 0.751234 Cu\n0.998581 0.499727 0.748492 Cu\n0.251508 0.001419 0.500273 Cu\n0.500273 0.251508 0.001419 Cu\n0.000273 0.998855 0.248766 Cu\n0.248492 0.748766 0.749911 Cu\n0.499727 0.748492 0.998581 Cu\n0.501419 0.249911 0.501145 Cu\n0.498581 0.750089 0.498855 Cu\n0.750089 0.498855 0.498581 Cu\n0.001145 0.751234 0.999727 Cu\n0.751508 0.251234 0.250089 Cu\n0.001419 0.500273 0.251508 Cu\n0.749911 0.248492 0.748766 Cu\n0.250089 0.751508 0.251234 Cu\n0.138767 0.392127 0.051832 F\n0.413064 0.253360 0.361233 F\n0.392127 0.051832 0.138767 F\n0.262252 0.347759 0.895657 F\n0.654385 0.416767 0.548184 F\n0.107873 0.246640 0.659705 F\n0.047898 0.633404 0.395657 F\n0.916221 0.554764 0.659182 F\n0.340818 0.083779 0.445236 F\n0.845615 0.393799 0.762382 F\n0.361457 0.416221 0.757039 F\n0.737618 0.131417 0.083233 F\n0.242961 0.638543 0.583779 F\n0.159705 0.913064 0.551832 F\n0.652241 0.104343 0.737748 F\n0.104343 0.737748 0.652241 F\n0.659182 0.916221 0.554764 F\n0.916767 0.262382 0.868583 F\n0.131417 0.083233 0.737618 F\n0.051832 0.138767 0.392127 F\n0.895582 0.054764 0.138543 F\n0.948168 0.861233 0.607873 F\n0.083779 0.445236 0.340818 F\n0.452102 0.847759 0.585506 F\n0.952102 0.366596 0.604343 F\n0.152241 0.414494 0.547898 F\n0.585506 0.452102 0.847759 F\n0.753360 0.340295 0.892127 F\n0.914494 0.762252 0.866596 F\n0.361233 0.413064 0.253360 F\n0.138543 0.895582 0.054764 F\n0.945236 0.861457 0.104418 F\n0.416767 0.548184 0.654385 F\n0.416221 0.757039 0.361457 F\n0.913064 0.551832 0.159705 F\n0.548184 0.654385 0.416767 F\n0.083233 0.737618 0.131417 F\n0.604418 0.742961 0.159182 F\n0.866596 0.914494 0.762252 F\n0.253360 0.361233 0.413064 F\n0.104418 0.945236 0.861457 F\n0.086936 0.448168 0.840295 F\n0.395582 0.257039 0.840818 F\n0.237618 0.154385 0.606201 F\n0.237748 0.133404 0.085506 F\n0.951816 0.368583 0.106201 F\n0.737748 0.652241 0.104343 F\n0.631417 0.893799 0.048184 F\n0.638543 0.583779 0.242961 F\n0.847759 0.585506 0.452102 F\n0.445236 0.340818 0.083779 F\n0.246640 0.659705 0.107873 F\n0.633404 0.395657 0.047898 F\n0.154385 0.606201 0.237618 F\n0.347759 0.895657 0.262252 F\n0.551832 0.159705 0.913064 F\n0.840818 0.395582 0.257039 F\n0.586936 0.746640 0.638767 F\n0.606201 0.237618 0.154385 F\n0.861233 0.607873 0.948168 F\n0.340295 0.892127 0.753360 F\n0.451816 0.345615 0.583233 F\n0.583779 0.242961 0.638543 F\n0.448168 0.840295 0.086936 F\n0.583233 0.451816 0.345615 F\n0.257039 0.840818 0.395582 F\n0.762252 0.866596 0.914494 F\n0.106201 0.951816 0.368583 F\n0.861457 0.104418 0.945236 F\n0.366596 0.604343 0.952102 F\n0.054764 0.138543 0.895582 F\n0.746640 0.638767 0.586936 F\n0.895657 0.262252 0.347759 F\n0.659705 0.107873 0.246640 F\n0.345615 0.583233 0.451816 F\n0.262382 0.868583 0.916767 F\n0.892127 0.753360 0.340295 F\n0.393799 0.762382 0.845615 F\n0.085506 0.237748 0.133404 F\n0.048184 0.631417 0.893799 F\n0.414494 0.547898 0.152241 F\n0.604343 0.952102 0.366596 F\n0.159182 0.604418 0.742961 F\n0.368583 0.106201 0.951816 F\n0.638767 0.586936 0.746640 F\n0.547898 0.152241 0.414494 F\n0.893799 0.048184 0.631417 F\n0.742961 0.159182 0.604418 F\n0.607873 0.948168 0.861233 F\n0.762382 0.845615 0.393799 F\n0.395657 0.047898 0.633404 F\n0.868583 0.916767 0.262382 F\n0.554764 0.659182 0.916221 F\n0.757039 0.361457 0.416221 F\n0.840295 0.086936 0.448168 F\n0.133404 0.085506 0.237748 F\n",
"nsites": 160,
"nelements": 4,
"elements": [
"Ba",
"Na",
"Cu",
"F"
],
"chemical_system": "Ba-Cu-F-Na",
"density": 4.007277166904394,
"density_atomic": 0.07449360729854496,
"volume": 2147.835308320815,
"volume_molar": 8.084104097503717,
"formula_full": "Ba8 Na32 Cu24 F96",
"formula_reduced": "BaNa4Cu3F12",
"formula_anonymous": "AB3C4D12",
"energy": -763.41378738,
"energy_per_atom": -4.771336171125,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
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"energy_uncorrected": -719.06178738,
"band_gap": 0.1595999999999998,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 24.0854009,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:37.200000Z",
"spacegroup": 206
},
{
"id": "mp-638022",
"created_at": "2022-09-04T14:44:26.584700Z",
"structure_string": "Sb32 Pb40 S88\n1.0\n23.850824 0.000000 0.000000\n0.000000 8.161898 0.000000\n0.000000 4.000721 21.711562\nSb Pb S\n32 40 88\ndirect\n0.731439 0.656439 0.438350 Sb\n0.231439 0.843561 0.061650 Sb\n0.620356 0.620633 0.015138 Sb\n0.062269 0.362100 0.969114 Sb\n0.716231 0.566051 0.613364 Sb\n0.043821 0.482969 0.790428 Sb\n0.604641 0.944400 0.375961 Sb\n0.104641 0.555600 0.124039 Sb\n0.120356 0.879367 0.484862 Sb\n0.879644 0.120633 0.515138 Sb\n0.465321 0.481134 0.281723 Sb\n0.937731 0.637900 0.030886 Sb\n0.965321 0.018866 0.218277 Sb\n0.534679 0.518866 0.718277 Sb\n0.562269 0.137900 0.530886 Sb\n0.437731 0.862100 0.469114 Sb\n0.456179 0.982969 0.290428 Sb\n0.309527 0.937645 0.369538 Sb\n0.956179 0.517031 0.209572 Sb\n0.809527 0.562355 0.130462 Sb\n0.190473 0.437645 0.869538 Sb\n0.690473 0.062355 0.630462 Sb\n0.768561 0.156439 0.938350 Sb\n0.543821 0.017031 0.709572 Sb\n0.268561 0.343561 0.561650 Sb\n0.395359 0.055600 0.624039 Sb\n0.034679 0.981134 0.781723 Sb\n0.283769 0.433949 0.386636 Sb\n0.783769 0.066051 0.113364 Sb\n0.379644 0.379367 0.984862 Sb\n0.895359 0.444400 0.875961 Sb\n0.216231 0.933949 0.886636 Sb\n0.839782 0.281779 0.691827 Pb\n0.069595 0.897210 0.953010 Pb\n0.677519 0.730187 0.791308 Pb\n0.930405 0.102790 0.046990 Pb\n0.838646 0.774108 0.693530 Pb\n0.661354 0.274108 0.193530 Pb\n0.569595 0.602790 0.546990 Pb\n0.500231 0.179539 0.877181 Pb\n0.094935 0.072144 0.131073 Pb\n0.233020 0.356659 0.040379 Pb\n0.161354 0.225892 0.306470 Pb\n0.266980 0.856659 0.540379 Pb\n0.322481 0.269813 0.208692 Pb\n0.999840 0.186947 0.388702 Pb\n0.499769 0.820461 0.122819 Pb\n0.160218 0.718221 0.308173 Pb\n0.999769 0.679539 0.377181 Pb\n0.430405 0.397210 0.453010 Pb\n0.766980 0.643341 0.959621 Pb\n0.000231 0.320461 0.622819 Pb\n0.339782 0.218221 0.808173 Pb\n0.674965 0.226728 0.795058 Pb\n0.338646 0.725892 0.806470 Pb\n0.500160 0.686947 0.888702 Pb\n0.365024 0.881801 0.985975 Pb\n0.594935 0.427856 0.368927 Pb\n0.822481 0.230187 0.291308 Pb\n0.177519 0.769813 0.708692 Pb\n0.865024 0.618199 0.514025 Pb\n0.634976 0.118199 0.014025 Pb\n0.660218 0.781779 0.191827 Pb\n0.174965 0.273272 0.704942 Pb\n0.825035 0.726728 0.295058 Pb\n0.325035 0.773272 0.204942 Pb\n0.905065 0.927856 0.868927 Pb\n0.000160 0.813053 0.611298 Pb\n0.499840 0.313053 0.111298 Pb\n0.733020 0.143341 0.459621 Pb\n0.405065 0.572144 0.631073 Pb\n0.134976 0.381801 0.485975 Pb\n0.914643 0.555508 0.631940 S\n0.444321 0.141479 0.014073 S\n0.633917 0.370406 0.488938 S\n0.911841 0.972501 0.314406 S\n0.908314 0.064848 0.626150 S\n0.251181 0.483428 0.278264 S\n0.973251 0.757323 0.754737 S\n0.280224 0.689364 0.919129 S\n0.588159 0.472501 0.814406 S\n0.328564 0.286459 0.656187 S\n0.375002 0.734472 0.332728 S\n0.472862 0.267601 0.748383 S\n0.439407 0.601806 0.011278 S\n0.408314 0.435152 0.873850 S\n0.249471 0.987978 0.276790 S\n0.527138 0.732399 0.251617 S\n0.751181 0.016572 0.221736 S\n0.793209 0.447020 0.402179 S\n0.375255 0.185093 0.326918 S\n0.750529 0.012022 0.723210 S\n0.473251 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0.982163 S\n0.012836 0.828358 0.064993 S\n0.026749 0.242677 0.245263 S\n0.219776 0.189364 0.419129 S\n0.415700 0.030227 0.186573 S\n0.519055 0.148309 0.428628 S\n0.366083 0.629594 0.511062 S\n0.487164 0.328358 0.564993 S\n0.360577 0.110593 0.517837 S\n0.624998 0.265528 0.667272 S\n0.512836 0.671642 0.435007 S\n0.250529 0.487978 0.776790 S\n0.776602 0.343669 0.583217 S\n0.875002 0.765528 0.167272 S\n0.555679 0.858521 0.985927 S\n0.827274 0.686114 0.845654 S\n0.560593 0.398194 0.988722 S\n0.019055 0.351691 0.071372 S\n0.172726 0.313886 0.154346 S\n0.639423 0.889407 0.482163 S\n0.706791 0.947020 0.902179 S\n0.204617 0.105992 0.594326 S\n0.526749 0.257323 0.254737 S\n0.624745 0.814907 0.673082 S\n0.944321 0.358521 0.485927 S\n0.027138 0.767601 0.248383 S\n0.704617 0.394008 0.905674 S\n0.795383 0.894008 0.405674 S\n0.585357 0.055508 0.131940 S\n0.088159 0.027499 0.685594 S\n0.124745 0.685093 0.826918 S\n0.060593 0.101806 0.511278 S\n0.748819 0.516572 0.721736 S\n0.591686 0.564848 0.126150 S\n0.139423 0.610593 0.017837 S\n",
"nsites": 160,
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"elements": [
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],
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"density": 5.895621274928444,
"density_atomic": 0.03785596860734932,
"volume": 4226.5461930074025,
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"formula_full": "Sb32 Pb40 S88",
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"updated_at": "2021-11-28T01:36:35.016000Z",
"spacegroup": 14
},
{
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O\n0.991842 0.384009 0.878864 O\n",
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"elements": [
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"formula_full": "Fe64 O96",
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},
{
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{
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{
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{
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{
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{
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{
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"formula_full": "S32 Cl128",
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"updated_at": "2021-11-28T01:35:42.236000Z",
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},
{
"id": "mp-1197341",
"created_at": "2022-09-04T14:43:18.016388Z",
"structure_string": "Si12 As4 H108 C36\n1.0\n16.297893 0.000000 0.000000\n0.000000 10.608817 0.000000\n0.000000 5.620563 12.074678\nSi As H C\n12 4 108 36\ndirect\n0.658813 0.409501 0.899097 Si\n0.841187 0.409501 0.399097 Si\n0.341187 0.590499 0.100903 Si\n0.158813 0.590499 0.600903 Si\n0.883699 0.289609 0.937025 Si\n0.616301 0.289609 0.437025 Si\n0.116301 0.710391 0.062975 Si\n0.383699 0.710391 0.562975 Si\n0.707918 0.019203 0.026334 Si\n0.792082 0.019203 0.526334 Si\n0.292082 0.980797 0.973666 Si\n0.207918 0.980797 0.473666 Si\n0.750804 0.237899 0.023760 As\n0.749196 0.237899 0.523760 As\n0.249196 0.762101 0.976240 As\n0.250804 0.762101 0.476240 As\n0.507248 0.423495 0.882352 H\n0.992752 0.423495 0.382352 H\n0.492752 0.576505 0.117648 H\n0.007248 0.576505 0.617648 H\n0.539614 0.247010 0.936963 H\n0.960386 0.247010 0.436963 H\n0.460386 0.752990 0.063037 H\n0.039614 0.752990 0.563037 H\n0.536458 0.336870 0.024042 H\n0.963542 0.336870 0.524042 H\n0.463542 0.663130 0.975958 H\n0.036458 0.663130 0.475958 H\n0.630483 0.655078 0.861929 H\n0.869517 0.655078 0.361929 H\n0.369517 0.344922 0.138071 H\n0.130483 0.344922 0.638071 H\n0.655522 0.558522 0.004075 H\n0.844478 0.558522 0.504075 H\n0.344478 0.441478 0.995925 H\n0.155522 0.441478 0.495925 H\n0.734625 0.613991 0.902382 H\n0.765375 0.613991 0.402382 H\n0.265375 0.386009 0.097618 H\n0.234625 0.386009 0.597618 H\n0.964029 0.507089 0.846027 H\n0.535971 0.507089 0.346027 H\n0.035971 0.492911 0.153973 H\n0.464029 0.492911 0.653973 H\n0.857400 0.544070 0.827746 H\n0.642600 0.544070 0.327746 H\n0.142600 0.455930 0.172254 H\n0.357400 0.455930 0.672254 H\n0.905194 0.511605 0.957018 H\n0.594806 0.511605 0.457018 H\n0.094806 0.488395 0.042982 H\n0.405194 0.488395 0.542982 H\n0.603453 0.847581 0.139088 H\n0.896547 0.847581 0.639088 H\n0.396547 0.152419 0.860912 H\n0.103453 0.152419 0.360912 H\n0.648582 0.928901 0.218265 H\n0.851418 0.928901 0.718265 H\n0.351418 0.071099 0.781735 H\n0.148582 0.071099 0.281735 H\n0.572623 0.018091 0.117418 H\n0.927377 0.018091 0.617418 H\n0.427377 0.981909 0.882582 H\n0.072623 0.981909 0.382582 H\n0.023619 0.214784 0.011039 H\n0.476381 0.214784 0.511039 H\n0.976381 0.785216 0.988961 H\n0.523619 0.785216 0.488961 H\n0.960964 0.229570 0.114846 H\n0.539036 0.229570 0.614846 H\n0.039036 0.770430 0.885154 H\n0.460964 0.770430 0.385154 H\n0.951605 0.081770 0.085007 H\n0.548395 0.081770 0.585007 H\n0.048395 0.918230 0.914993 H\n0.451605 0.918230 0.414993 H\n0.780157 0.794863 0.074777 H\n0.719843 0.794863 0.574777 H\n0.219843 0.205137 0.925223 H\n0.280157 0.205137 0.425223 H\n0.850385 0.935936 0.019000 H\n0.649615 0.935936 0.519000 H\n0.149615 0.064064 0.981000 H\n0.350385 0.064064 0.481000 H\n0.815662 0.877491 0.158668 H\n0.684338 0.877491 0.658668 H\n0.184338 0.122509 0.841332 H\n0.315662 0.122509 0.341332 H\n0.962252 0.269975 0.782873 H\n0.537748 0.269975 0.282873 H\n0.037748 0.730025 0.217127 H\n0.462252 0.730025 0.717127 H\n0.892662 0.129112 0.844112 H\n0.607338 0.129112 0.344112 H\n0.107338 0.870888 0.155888 H\n0.392662 0.870888 0.655888 H\n0.855603 0.294331 0.750443 H\n0.644397 0.294331 0.250443 H\n0.144397 0.705669 0.249557 H\n0.355603 0.705669 0.749557 H\n0.629305 0.529272 0.695340 H\n0.870695 0.529272 0.195340 H\n0.370695 0.470728 0.304660 H\n0.129305 0.470728 0.804660 H\n0.735532 0.492028 0.721139 H\n0.764468 0.492028 0.221139 H\n0.264468 0.507972 0.278861 H\n0.235532 0.507972 0.778861 H\n0.666650 0.356975 0.733197 H\n0.833350 0.356975 0.233197 H\n0.333350 0.643025 0.266803 H\n0.166650 0.643025 0.766803 H\n0.649809 0.920146 0.901019 H\n0.850191 0.920146 0.401019 H\n0.350191 0.079854 0.098981 H\n0.149809 0.079854 0.598981 H\n0.612569 0.091143 0.865394 H\n0.887431 0.091143 0.365394 H\n0.387431 0.908857 0.134606 H\n0.112569 0.908857 0.634606 H\n0.713038 0.066925 0.825133 H\n0.786962 0.066925 0.325133 H\n0.286962 0.933075 0.174867 H\n0.213038 0.933075 0.674867 H\n0.550369 0.347651 0.940249 C\n0.949631 0.347651 0.440249 C\n0.449631 0.652349 0.059751 C\n0.050369 0.652349 0.559751 C\n0.671585 0.574352 0.919429 C\n0.828415 0.574352 0.419429 C\n0.328415 0.425648 0.080571 C\n0.171585 0.425648 0.580571 C\n0.903917 0.481512 0.887577 C\n0.596083 0.481512 0.387577 C\n0.096083 0.518488 0.112423 C\n0.403917 0.518488 0.612423 C\n0.625449 0.947696 0.135649 C\n0.874551 0.947696 0.635649 C\n0.374551 0.052304 0.864351 C\n0.125449 0.052304 0.364351 C\n0.961824 0.194743 0.048026 C\n0.538176 0.194743 0.548026 C\n0.038176 0.805257 0.951974 C\n0.461824 0.805257 0.451974 C\n0.797483 0.895638 0.074217 C\n0.702517 0.895638 0.574217 C\n0.202517 0.104362 0.925783 C\n0.297483 0.104362 0.425783 C\n0.899897 0.241785 0.817165 C\n0.600103 0.241785 0.317165 C\n0.100103 0.758215 0.182835 C\n0.399897 0.758215 0.682835 C\n0.673732 0.451016 0.748007 C\n0.826268 0.451016 0.248007 C\n0.326268 0.548984 0.251993 C\n0.173732 0.548984 0.751993 C\n0.667390 0.025138 0.891697 C\n0.832610 0.025138 0.391697 C\n0.332610 0.974862 0.108303 C\n0.167390 0.974862 0.608303 C\n",
"nsites": 160,
"nelements": 4,
"elements": [
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"As",
"H",
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],
"chemical_system": "As-C-H-Si",
"density": 0.9369229202395986,
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"formula_full": "Si12 As4 H108 C36",
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"updated_at": "2021-11-28T01:36:08.617000Z",
"spacegroup": 14
}
]
}