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{
"id": "mp-571056",
"created_at": "2022-09-04T14:43:34.827839Z",
"structure_string": "Cs32 Sn32\n1.0\n14.791986 0.000000 0.000000\n0.000000 14.791986 0.000000\n0.000000 0.000000 14.791986\nCs Sn\n32 32\ndirect\n0.663422 0.933857 0.141140 Cs\n0.333339 0.333339 0.333339 Cs\n0.336578 0.933857 0.858860 Cs\n0.666661 0.333339 0.666661 Cs\n0.641140 0.566143 0.836578 Cs\n0.833339 0.833339 0.833339 Cs\n0.833339 0.166661 0.166661 Cs\n0.566143 0.836578 0.641140 Cs\n0.166661 0.833339 0.166661 Cs\n0.663422 0.066143 0.858860 Cs\n0.336578 0.066143 0.141140 Cs\n0.163422 0.641140 0.433857 Cs\n0.166661 0.166661 0.833339 Cs\n0.358860 0.433857 0.836578 Cs\n0.333339 0.666661 0.666661 Cs\n0.641140 0.433857 0.163422 Cs\n0.666661 0.666661 0.333339 Cs\n0.141140 0.336578 0.066143 Cs\n0.066143 0.858860 0.663422 Cs\n0.433857 0.163422 0.641140 Cs\n0.433857 0.836578 0.358860 Cs\n0.858860 0.663422 0.066143 Cs\n0.933857 0.141140 0.663422 Cs\n0.566143 0.163422 0.358860 Cs\n0.933857 0.858860 0.336578 Cs\n0.358860 0.566143 0.163422 Cs\n0.836578 0.641140 0.566143 Cs\n0.066143 0.141140 0.336578 Cs\n0.836578 0.358860 0.433857 Cs\n0.141140 0.663422 0.933857 Cs\n0.163422 0.358860 0.566143 Cs\n0.858860 0.336578 0.933857 Cs\n0.422939 0.679775 0.933368 Sn\n0.071393 0.928607 0.928607 Sn\n0.922939 0.566632 0.820225 Sn\n0.571393 0.428607 0.428607 Sn\n0.077061 0.566632 0.179775 Sn\n0.428607 0.571393 0.428607 Sn\n0.320225 0.066632 0.422939 Sn\n0.179775 0.922939 0.433368 Sn\n0.071393 0.071393 0.071393 Sn\n0.179775 0.077061 0.566632 Sn\n0.922939 0.433368 0.179775 Sn\n0.933368 0.422939 0.679775 Sn\n0.077061 0.433368 0.820225 Sn\n0.566632 0.179775 0.077061 Sn\n0.571393 0.571393 0.571393 Sn\n0.820225 0.077061 0.433368 Sn\n0.577061 0.679775 0.066632 Sn\n0.679775 0.933368 0.422939 Sn\n0.679775 0.066632 0.577061 Sn\n0.422939 0.320225 0.066632 Sn\n0.820225 0.922939 0.566632 Sn\n0.928607 0.071393 0.928607 Sn\n0.566632 0.820225 0.922939 Sn\n0.428607 0.428607 0.571393 Sn\n0.577061 0.320225 0.933368 Sn\n0.433368 0.179775 0.922939 Sn\n0.933368 0.577061 0.320225 Sn\n0.066632 0.422939 0.320225 Sn\n0.320225 0.933368 0.577061 Sn\n0.928607 0.928607 0.071393 Sn\n0.066632 0.577061 0.679775 Sn\n0.433368 0.820225 0.077061 Sn\n",
"nsites": 64,
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"elements": [
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],
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"density": 4.131016431332376,
"density_atomic": 0.019774272408230903,
"volume": 3236.5286913596096,
"volume_molar": 30.454423989290884,
"formula_full": "Cs32 Sn32",
"formula_reduced": "CsSn",
"formula_anonymous": "AB",
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"band_gap": 1.0631,
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"updated_at": "2021-11-28T01:36:18.477000Z",
"spacegroup": 218
},
{
"id": "mp-16552",
"created_at": "2022-09-04T14:47:57.644721Z",
"structure_string": "Mn16 Ag16 P48 O144\n1.0\n14.811416 0.000000 0.000000\n0.000000 14.771869 0.000000\n0.000000 0.000000 14.786283\nMn Ag P O\n16 16 48 144\ndirect\n0.115744 0.865770 0.376549 Mn\n0.384256 0.134230 0.876549 Mn\n0.615744 0.634230 0.623451 Mn\n0.884256 0.365770 0.123451 Mn\n0.625926 0.123487 0.374909 Mn\n0.874074 0.876513 0.874909 Mn\n0.125926 0.376513 0.625091 Mn\n0.374074 0.623487 0.125091 Mn\n0.622191 0.873415 0.124613 Mn\n0.877809 0.126585 0.624613 Mn\n0.122191 0.626585 0.875387 Mn\n0.377809 0.373415 0.375387 Mn\n0.866926 0.614888 0.372646 Mn\n0.633074 0.385112 0.872646 Mn\n0.366926 0.885112 0.627354 Mn\n0.133074 0.114888 0.127354 Mn\n0.000887 0.508946 0.506822 Ag\n0.499113 0.491054 0.006822 Ag\n0.500887 0.991054 0.493178 Ag\n0.999113 0.008946 0.993178 Ag\n0.501863 0.494241 0.503088 Ag\n0.998137 0.505759 0.003088 Ag\n0.001863 0.005759 0.496912 Ag\n0.498137 0.994241 0.996912 Ag\n0.254441 0.755493 0.250877 Ag\n0.245559 0.244507 0.750877 Ag\n0.754441 0.744507 0.749123 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"nsites": 224,
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"elements": [
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"Ag",
"P",
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"chemical_system": "Ag-Mn-O-P",
"density": 3.282738077002788,
"density_atomic": 0.069239986861413,
"volume": 3235.1248195402786,
"volume_molar": 8.697489749750517,
"formula_full": "Mn16 Ag16 P48 O144",
"formula_reduced": "MnAg(PO3)3",
"formula_anonymous": "ABC3D9",
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"updated_at": "2021-11-28T01:38:16.399000Z",
"spacegroup": 19
},
{
"id": "mp-27147",
"created_at": "2022-09-04T14:47:44.124935Z",
"structure_string": "Rb24 Bi8 Br48\n1.0\n8.655419 0.000000 0.000000\n0.000000 13.665252 0.000000\n0.000000 0.000000 27.337460\nRb Bi Br\n24 8 48\ndirect\n0.566069 0.344426 0.341071 Rb\n0.063204 0.178660 0.046163 Rb\n0.563204 0.321340 0.953837 Rb\n0.436796 0.678660 0.453837 Rb\n0.936796 0.821340 0.546163 Rb\n0.936796 0.821340 0.953837 Rb\n0.436796 0.678660 0.046163 Rb\n0.563204 0.321340 0.546163 Rb\n0.069802 0.493768 0.159251 Rb\n0.569802 0.006232 0.840749 Rb\n0.430198 0.993768 0.340749 Rb\n0.930198 0.506232 0.659251 Rb\n0.930198 0.506232 0.840749 Rb\n0.430198 0.993768 0.159251 Rb\n0.569802 0.006232 0.659251 Rb\n0.069802 0.493768 0.340749 Rb\n0.063204 0.178660 0.453837 Rb\n0.066069 0.155574 0.841071 Rb\n0.933931 0.844426 0.341071 Rb\n0.433931 0.655574 0.658929 Rb\n0.433931 0.655574 0.841071 Rb\n0.933931 0.844426 0.158929 Rb\n0.066069 0.155574 0.658929 Rb\n0.566069 0.344426 0.158929 Rb\n0.000000 0.500000 0.500000 Bi\n0.500000 0.000000 0.500000 Bi\n0.500000 0.000000 0.000000 Bi\n0.000000 0.500000 0.000000 Bi\n0.002545 0.830499 0.750000 Bi\n0.502545 0.669501 0.250000 Bi\n0.497455 0.330499 0.750000 Bi\n0.997455 0.169501 0.250000 Bi\n0.790376 0.771298 0.827903 Br\n0.826700 0.384774 0.431105 Br\n0.326700 0.115226 0.568895 Br\n0.673300 0.884774 0.068895 Br\n0.283227 0.435322 0.451686 Br\n0.173300 0.615226 0.568895 Br\n0.673300 0.884774 0.431105 Br\n0.326700 0.115226 0.931105 Br\n0.854971 0.361862 0.250000 Br\n0.354971 0.138138 0.750000 Br\n0.645029 0.861862 0.250000 Br\n0.145029 0.638138 0.750000 Br\n0.141267 0.976517 0.250000 Br\n0.641267 0.523483 0.750000 Br\n0.358733 0.476517 0.250000 Br\n0.858733 0.023483 0.750000 Br\n0.209624 0.228702 0.172097 Br\n0.709624 0.271298 0.827903 Br\n0.290376 0.728702 0.327903 Br\n0.790376 0.771298 0.672097 Br\n0.173300 0.615226 0.931105 Br\n0.290376 0.728702 0.172097 Br\n0.709624 0.271298 0.672097 Br\n0.209624 0.228702 0.327903 Br\n0.795541 0.110125 0.172166 Br\n0.295541 0.389875 0.827834 Br\n0.704459 0.610125 0.327834 Br\n0.204459 0.889875 0.672166 Br\n0.204459 0.889875 0.827834 Br\n0.704459 0.610125 0.172166 Br\n0.295541 0.389875 0.672166 Br\n0.795541 0.110125 0.327834 Br\n0.004039 0.669467 0.061766 Br\n0.504039 0.830533 0.938234 Br\n0.495961 0.169467 0.438234 Br\n0.995961 0.330533 0.561766 Br\n0.995961 0.330533 0.938234 Br\n0.495961 0.169467 0.061766 Br\n0.504039 0.830533 0.561766 Br\n0.004039 0.669467 0.438234 Br\n0.283227 0.435322 0.048314 Br\n0.783227 0.064678 0.951686 Br\n0.216773 0.935322 0.451686 Br\n0.716773 0.564678 0.548314 Br\n0.716773 0.564678 0.951686 Br\n0.216773 0.935322 0.048314 Br\n0.783227 0.064678 0.548314 Br\n0.826700 0.384774 0.068895 Br\n",
"nsites": 80,
"nelements": 3,
"elements": [
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"Bi",
"Br"
],
"chemical_system": "Bi-Br-Rb",
"density": 3.881670370054772,
"density_atomic": 0.024741503362344555,
"volume": 3233.4332650843025,
"volume_molar": 24.34023782550508,
"formula_full": "Rb24 Bi8 Br48",
"formula_reduced": "Rb3BiBr6",
"formula_anonymous": "AB3C6",
"energy": -271.24706527,
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"updated_at": "2021-11-28T01:38:17.278000Z",
"spacegroup": 62
},
{
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{
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"structure_string": "Rb12 Li2 Nd22 Se24 Cl32 O72\n1.0\n-8.009616 8.009616 12.578987\n8.009616 -8.009616 12.578987\n8.009616 8.009616 -12.578987\nRb Li Nd Se Cl O\n12 2 22 24 32 72\ndirect\n0.629666 0.620258 0.249924 Rb\n0.379742 0.629666 0.009407 Rb\n0.876655 0.376655 0.253309 Rb\n0.123345 0.623345 0.746691 Rb\n0.623345 0.876655 0.500000 Rb\n0.870334 0.120258 0.990593 Rb\n0.620258 0.370334 0.990593 Rb\n0.129666 0.879742 0.009407 Rb\n0.120258 0.129666 0.249924 Rb\n0.370334 0.379742 0.750076 Rb\n0.879742 0.870334 0.750076 Rb\n0.376655 0.123345 0.500000 Rb\n0.750000 0.250000 0.500000 Li\n0.250000 0.750000 0.500000 Li\n0.996679 0.254160 0.500000 Nd\n0.254160 0.754160 0.257480 Nd\n0.250000 0.507048 0.257048 Nd\n0.250000 0.250000 0.000000 Nd\n0.007048 0.750000 0.257048 Nd\n0.500000 0.000000 0.000000 Nd\n0.503321 0.003321 0.257480 Nd\n0.000000 0.000000 0.500000 Nd\n0.245840 0.503321 0.500000 Nd\n0.750000 0.492952 0.742952 Nd\n0.992952 0.250000 0.742952 Nd\n0.250000 0.992952 0.742952 Nd\n0.745840 0.245840 0.742520 Nd\n0.750000 0.750000 0.000000 Nd\n0.500000 0.500000 0.500000 Nd\n0.754160 0.496679 0.500000 Nd\n0.750000 0.007048 0.257048 Nd\n0.003321 0.745840 0.500000 Nd\n0.000000 0.500000 0.000000 Nd\n0.496679 0.996679 0.742520 Nd\n0.492952 0.750000 0.742952 Nd\n0.507048 0.250000 0.257048 Nd\n0.779406 0.063769 0.500000 Se\n0.010741 0.281683 0.972030 Se\n0.279406 0.779406 0.715637 Se\n0.936231 0.436231 0.715637 Se\n0.961289 0.989259 0.270943 Se\n0.809653 0.781683 0.270943 Se\n0.218317 0.489259 0.027970 Se\n0.461289 0.190347 0.972030 Se\n0.720594 0.220594 0.284363 Se\n0.038711 0.010741 0.729057 Se\n0.190347 0.218317 0.729057 Se\n0.989259 0.718317 0.027970 Se\n0.436231 0.720594 0.500000 Se\n0.510741 0.538711 0.729057 Se\n0.489259 0.461289 0.270943 Se\n0.220594 0.936231 0.500000 Se\n0.309653 0.038711 0.027970 Se\n0.690347 0.961289 0.972030 Se\n0.538711 0.809653 0.027970 Se\n0.281683 0.309653 0.270943 Se\n0.718317 0.690347 0.729057 Se\n0.781683 0.510741 0.972030 Se\n0.563769 0.279406 0.500000 Se\n0.063769 0.563769 0.284363 Se\n0.815624 0.315624 0.977786 Cl\n0.423422 0.923422 0.500000 Cl\n0.422761 0.422761 0.000000 Cl\n0.837838 0.815624 0.500000 Cl\n0.576578 0.076578 0.500000 Cl\n0.690585 0.432579 0.273489 Cl\n0.432579 0.159090 0.741993 Cl\n0.162162 0.184376 0.500000 Cl\n0.577239 0.577239 0.000000 Cl\n0.922761 0.922761 0.000000 Cl\n0.662162 0.162162 0.977786 Cl\n0.076578 0.576578 0.500000 Cl\n0.184376 0.684376 0.022214 Cl\n0.417097 0.690585 0.258007 Cl\n0.917097 0.659090 0.726511 Cl\n0.077239 0.077239 0.000000 Cl\n0.567421 0.840910 0.258007 Cl\n0.840910 0.582903 0.273489 Cl\n0.582903 0.309415 0.741993 Cl\n0.340910 0.067421 0.258007 Cl\n0.190585 0.917097 0.258007 Cl\n0.659090 0.932579 0.741993 Cl\n0.315624 0.337838 0.500000 Cl\n0.932579 0.190585 0.273489 Cl\n0.082903 0.340910 0.273489 Cl\n0.923422 0.423422 0.500000 Cl\n0.337838 0.837838 0.022214 Cl\n0.809415 0.082903 0.741993 Cl\n0.309415 0.567421 0.726511 Cl\n0.067421 0.809415 0.726511 Cl\n0.159090 0.417097 0.726511 Cl\n0.684376 0.662162 0.500000 Cl\n0.923084 0.594005 0.912765 O\n0.440992 0.063143 0.869586 O\n0.063857 0.683209 0.376229 O\n0.071405 0.693557 0.130414 O\n0.489682 0.818760 0.912765 O\n0.683209 0.306980 0.619352 O\n0.337982 0.175925 0.913055 O\n0.405995 0.318760 0.329079 O\n0.575074 0.662018 0.837943 O\n0.175925 0.262869 0.837943 O\n0.312372 0.936143 0.619352 O\n0.405292 0.625582 0.500000 O\n0.806443 0.428595 0.869586 O\n0.063143 0.193557 0.622152 O\n0.559008 0.936857 0.130414 O\n0.905995 0.576916 0.087235 O\n0.262869 0.424926 0.086945 O\n0.187628 0.806980 0.623771 O\n0.237131 0.324075 0.162057 O\n0.625582 0.125582 0.220290 O\n0.662018 0.824075 0.086945 O\n0.594005 0.681240 0.670921 O\n0.075074 0.237131 0.913055 O\n0.436143 0.812372 0.619352 O\n0.737131 0.575074 0.913055 O\n0.510318 0.181240 0.087235 O\n0.316791 0.693020 0.380648 O\n0.874418 0.094708 0.500000 O\n0.837982 0.924926 0.162057 O\n0.076916 0.405995 0.087235 O\n0.576916 0.489682 0.670921 O\n0.693557 0.563143 0.622152 O\n0.594708 0.374418 0.500000 O\n0.928595 0.306443 0.869586 O\n0.094005 0.423084 0.912765 O\n0.306443 0.436857 0.377848 O\n0.693020 0.312372 0.376229 O\n0.424926 0.337982 0.162057 O\n0.936143 0.316791 0.623771 O\n0.675925 0.837982 0.913055 O\n0.094708 0.594708 0.220290 O\n0.436857 0.059008 0.130414 O\n0.193557 0.571405 0.130414 O\n0.905292 0.405292 0.779710 O\n0.318760 0.989682 0.912765 O\n0.681240 0.010318 0.087235 O\n0.818760 0.905995 0.329079 O\n0.936857 0.806443 0.377848 O\n0.762869 0.675925 0.837943 O\n0.687628 0.063857 0.380648 O\n0.816791 0.436143 0.623771 O\n0.324075 0.162018 0.086945 O\n0.563857 0.187628 0.380648 O\n0.306980 0.687628 0.623771 O\n0.183209 0.563857 0.376229 O\n0.940992 0.071405 0.377848 O\n0.563143 0.940992 0.869586 O\n0.571405 0.440992 0.377848 O\n0.824075 0.737131 0.162057 O\n0.125582 0.905292 0.500000 O\n0.812372 0.193020 0.376229 O\n0.193020 0.816791 0.380648 O\n0.806980 0.183209 0.619352 O\n0.374418 0.874418 0.779710 O\n0.010318 0.923084 0.329079 O\n0.428595 0.559008 0.622152 O\n0.181240 0.094005 0.670921 O\n0.059008 0.928595 0.622152 O\n0.989682 0.076916 0.670921 O\n0.924926 0.762869 0.086945 O\n0.162018 0.075074 0.837943 O\n0.423084 0.510318 0.329079 O\n",
"nsites": 164,
"nelements": 6,
"elements": [
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"Li",
"Nd",
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"O"
],
"chemical_system": "Cl-Li-Nd-O-Rb-Se",
"density": 4.318224077698107,
"density_atomic": 0.0508059758539529,
"volume": 3227.9667350831955,
"volume_molar": 11.853213443456484,
"formula_full": "Rb12 Li2 Nd22 Se24 Cl32 O72",
"formula_reduced": "Rb6LiNd11Se12(Cl4O9)4",
"formula_anonymous": "AB6C11D12E16F36",
"energy": -1010.28203955,
"energy_per_atom": -6.160256338719512,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
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"energy_uncorrected": -941.17003955,
"band_gap": 3.2922,
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"is_magnetic": false,
"total_magnetization": 0.0072751,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:31.731000Z",
"spacegroup": 140
},
{
"id": "mp-1203849",
"created_at": "2022-09-04T14:39:07.278830Z",
"structure_string": "Ga16 Sb14 Se16 Cl58\n1.0\n11.141573 0.000000 0.000000\n5.302989 15.065196 0.000000\n2.048856 2.934804 19.218280\nGa Sb Se Cl\n16 14 16 58\ndirect\n0.791446 0.373050 0.587427 Ga\n0.208554 0.626950 0.412573 Ga\n0.960521 0.272160 0.997966 Ga\n0.039479 0.727840 0.002034 Ga\n0.636930 0.601637 0.903209 Ga\n0.363070 0.398363 0.096791 Ga\n0.568557 0.798319 0.747963 Ga\n0.431443 0.201681 0.252037 Ga\n0.416746 0.833243 0.496500 Ga\n0.583254 0.166757 0.503500 Ga\n0.775868 0.833267 0.495744 Ga\n0.224132 0.166733 0.504256 Ga\n0.683914 0.047189 0.979419 Ga\n0.316086 0.952811 0.020581 Ga\n0.873048 0.111996 0.811366 Ga\n0.126952 0.888004 0.188634 Ga\n0.220263 0.486951 0.732229 Sb\n0.779737 0.513049 0.267771 Sb\n0.269040 0.706726 0.788632 Sb\n0.730960 0.293274 0.211368 Sb\n0.127097 0.722507 0.611651 Sb\n0.872903 0.277493 0.388349 Sb\n0.939718 0.702668 0.790113 Sb\n0.060282 0.297332 0.209887 Sb\n0.150563 0.258389 0.711621 Sb\n0.849437 0.741611 0.288379 Sb\n0.285794 0.274077 0.882016 Sb\n0.714206 0.725923 0.117984 Sb\n0.499013 0.256569 0.710763 Sb\n0.500987 0.743431 0.289237 Sb\n0.155976 0.580506 0.845155 Se\n0.844024 0.419494 0.154845 Se\n0.060225 0.818419 0.721245 Se\n0.939775 0.181581 0.278755 Se\n0.345483 0.631623 0.675290 Se\n0.654517 0.368377 0.324710 Se\n0.978581 0.625963 0.676903 Se\n0.021419 0.374037 0.323097 Se\n0.085014 0.377296 0.805423 Se\n0.914986 0.622704 0.194577 Se\n0.357972 0.156629 0.788147 Se\n0.642028 0.843371 0.211853 Se\n0.299876 0.338159 0.632867 Se\n0.700124 0.661841 0.367133 Se\n0.430271 0.371192 0.806700 Se\n0.569729 0.628808 0.193300 Se\n0.597877 0.419900 0.638892 Cl\n0.402123 0.580100 0.361108 Cl\n0.858958 0.228261 0.592970 Cl\n0.141042 0.771739 0.407030 Cl\n0.779289 0.438090 0.475984 Cl\n0.220711 0.561910 0.524016 Cl\n0.920814 0.420625 0.638537 Cl\n0.079186 0.579375 0.361463 Cl\n0.972184 0.188305 0.103271 Cl\n0.027816 0.811695 0.896729 Cl\n0.079423 0.184100 0.922624 Cl\n0.920577 0.815900 0.077376 Cl\n0.762049 0.334065 0.976625 Cl\n0.237951 0.665935 0.023375 Cl\n0.062252 0.368713 0.000099 Cl\n0.937748 0.631287 0.999901 Cl\n0.626564 0.588698 0.015213 Cl\n0.373436 0.411302 0.984787 Cl\n0.829315 0.547502 0.856942 Cl\n0.170685 0.452498 0.143058 Cl\n0.504654 0.552981 0.858946 Cl\n0.495346 0.447019 0.141054 Cl\n0.572718 0.756584 0.869899 Cl\n0.427282 0.243416 0.130101 Cl\n0.704060 0.872131 0.726126 Cl\n0.295940 0.127869 0.273874 Cl\n0.631252 0.674144 0.705679 Cl\n0.368748 0.325856 0.294321 Cl\n0.371043 0.878391 0.730717 Cl\n0.628957 0.121609 0.269283 Cl\n0.242996 0.887688 0.559456 Cl\n0.757004 0.112312 0.440544 Cl\n0.470737 0.689103 0.504571 Cl\n0.529263 0.310897 0.495429 Cl\n0.414303 0.902135 0.389871 Cl\n0.585697 0.097865 0.610129 Cl\n0.569736 0.869704 0.549539 Cl\n0.430264 0.130296 0.450461 Cl\n0.875666 0.891649 0.554583 Cl\n0.124334 0.108351 0.445417 Cl\n0.856538 0.688971 0.506286 Cl\n0.143462 0.311029 0.493714 Cl\n0.747723 0.897389 0.387786 Cl\n0.252277 0.102611 0.612214 Cl\n0.700054 0.047263 0.088314 Cl\n0.299946 0.952737 0.911686 Cl\n0.651037 0.931505 0.952264 Cl\n0.348963 0.068495 0.047736 Cl\n0.565073 0.179277 0.926412 Cl\n0.434927 0.820723 0.073588 Cl\n0.883936 0.050832 0.929353 Cl\n0.116064 0.949168 0.070647 Cl\n0.067701 0.055906 0.770622 Cl\n0.932299 0.944094 0.229378 Cl\n0.736582 0.061965 0.773601 Cl\n0.263418 0.938035 0.226399 Cl\n0.811873 0.257747 0.795725 Cl\n0.188127 0.742253 0.204275 Cl\n",
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"elements": [
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],
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"density_atomic": 0.0322401850862451,
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"volume_molar": 18.678989416128623,
"formula_full": "Ga16 Sb14 Se16 Cl58",
"formula_reduced": "Ga8Sb7Se8Cl29",
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"updated_at": "2021-11-28T01:34:32.206000Z",
"spacegroup": 2
},
{
"id": "mp-1080865",
"created_at": "2022-09-04T14:41:32.656874Z",
"structure_string": "Ce12 Se24\n1.0\n14.775223 0.000000 0.000000\n0.000000 14.775223 0.000000\n0.000000 0.000000 14.775223\nCe Se\n12 24\ndirect\n0.644750 0.580708 0.834765 Ce\n0.165235 0.644750 0.419292 Ce\n0.580708 0.165235 0.355250 Ce\n0.644750 0.419292 0.165235 Ce\n0.165235 0.355250 0.580708 Ce\n0.580708 0.834765 0.644750 Ce\n0.355250 0.580708 0.165235 Ce\n0.834765 0.644750 0.580708 Ce\n0.419292 0.165235 0.644750 Ce\n0.355250 0.419292 0.834765 Ce\n0.834765 0.355250 0.419292 Ce\n0.419292 0.834765 0.355250 Ce\n0.664519 0.500000 0.000000 Se\n0.000000 0.664519 0.500000 Se\n0.500000 0.000000 0.335481 Se\n0.000000 0.335481 0.500000 Se\n0.500000 0.000000 0.664519 Se\n0.335481 0.500000 0.000000 Se\n0.500000 0.500000 0.754306 Se\n0.245694 0.500000 0.500000 Se\n0.500000 0.245694 0.500000 Se\n0.500000 0.500000 0.245694 Se\n0.500000 0.754306 0.500000 Se\n0.754306 0.500000 0.500000 Se\n0.580085 0.751979 0.810242 Se\n0.189758 0.580085 0.248021 Se\n0.751979 0.189758 0.419915 Se\n0.580085 0.248021 0.189758 Se\n0.189758 0.419915 0.751979 Se\n0.751979 0.810242 0.580085 Se\n0.419915 0.751979 0.189758 Se\n0.810242 0.580085 0.751979 Se\n0.248021 0.189758 0.580085 Se\n0.419915 0.248021 0.810242 Se\n0.810242 0.419915 0.248021 Se\n0.248021 0.810242 0.419915 Se\n",
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"elements": [
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],
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"updated_at": "2021-11-28T01:35:25.263000Z",
"spacegroup": 195
},
{
"id": "mp-1195142",
"created_at": "2022-09-04T14:47:45.831920Z",
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