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{
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"results": [
{
"id": "mp-733613",
"created_at": "2022-09-04T14:44:56.947128Z",
"structure_string": "H48 Au8 Br8 N16\n1.0\n7.076166 0.000000 0.000000\n0.000000 11.605578 0.000000\n0.000000 0.000000 13.278645\nH Au Br N\n48 8 8 16\ndirect\n0.507827 0.458919 0.396941 H\n0.007827 0.041081 0.103059 H\n0.492173 0.958919 0.603059 H\n0.992173 0.541081 0.896941 H\n0.492173 0.541081 0.603059 H\n0.992173 0.958919 0.896941 H\n0.507827 0.041081 0.396941 H\n0.007827 0.458919 0.103059 H\n0.738697 0.458222 0.426270 H\n0.238697 0.041778 0.073730 H\n0.261303 0.958222 0.573730 H\n0.761303 0.541778 0.926270 H\n0.261303 0.541778 0.573730 H\n0.761303 0.958222 0.926270 H\n0.738697 0.041778 0.426270 H\n0.238697 0.458222 0.073730 H\n0.668226 0.458168 0.305339 H\n0.168226 0.041832 0.194661 H\n0.331774 0.958168 0.694661 H\n0.831774 0.541832 0.805339 H\n0.331774 0.541832 0.694661 H\n0.831774 0.958168 0.805339 H\n0.668226 0.041832 0.305339 H\n0.168226 0.458168 0.194661 H\n0.108579 0.177887 0.817347 H\n0.608579 0.322113 0.682653 H\n0.891421 0.677887 0.182653 H\n0.391421 0.822113 0.317347 H\n0.891421 0.822113 0.182653 H\n0.391421 0.677887 0.317347 H\n0.108579 0.322113 0.817347 H\n0.608579 0.177887 0.682653 H\n0.962853 0.250000 0.740359 H\n0.462853 0.250000 0.759641 H\n0.037147 0.750000 0.259641 H\n0.537147 0.750000 0.240359 H\n0.668017 0.250000 0.096537 H\n0.168017 0.250000 0.403463 H\n0.331983 0.750000 0.903463 H\n0.831983 0.750000 0.596537 H\n0.529035 0.322675 0.017409 H\n0.029035 0.177325 0.482591 H\n0.470965 0.822675 0.982591 H\n0.970965 0.677325 0.517409 H\n0.470965 0.677325 0.982591 H\n0.970965 0.822675 0.517409 H\n0.529035 0.177325 0.017409 H\n0.029035 0.322675 0.482591 H\n0.635775 0.250000 0.377954 Au\n0.135775 0.250000 0.122046 Au\n0.364225 0.750000 0.622046 Au\n0.864225 0.750000 0.877954 Au\n0.820709 0.250000 0.919710 Au\n0.320709 0.250000 0.580290 Au\n0.179291 0.750000 0.080290 Au\n0.679291 0.750000 0.419710 Au\n0.658107 0.533928 0.127773 Br\n0.158107 0.966072 0.372227 Br\n0.341893 0.033928 0.872227 Br\n0.841893 0.466072 0.627773 Br\n0.341893 0.466072 0.872227 Br\n0.841893 0.033928 0.627773 Br\n0.658107 0.966072 0.127773 Br\n0.158107 0.533928 0.372227 Br\n0.638928 0.427029 0.376684 N\n0.138928 0.072971 0.123316 N\n0.361072 0.927029 0.623316 N\n0.861072 0.572971 0.876684 N\n0.361072 0.572971 0.623316 N\n0.861072 0.927029 0.876684 N\n0.638928 0.072971 0.376684 N\n0.138928 0.427029 0.123316 N\n0.023145 0.250000 0.809949 N\n0.523145 0.250000 0.690051 N\n0.976855 0.750000 0.190051 N\n0.476855 0.750000 0.309949 N\n0.611095 0.250000 0.026042 N\n0.111095 0.250000 0.473958 N\n0.388905 0.750000 0.973958 N\n0.888905 0.750000 0.526042 N\n",
"nsites": 80,
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"elements": [
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"Br",
"N"
],
"chemical_system": "Au-Br-H-N",
"density": 3.787785795601356,
"density_atomic": 0.07336204675711439,
"volume": 1090.4821162482342,
"volume_molar": 8.208796000386938,
"formula_full": "H48 Au8 Br8 N16",
"formula_reduced": "H6AuBrN2",
"formula_anonymous": "ABC2D6",
"energy": -375.5064417699999,
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"updated_at": "2021-11-28T01:36:45.188000Z",
"spacegroup": 62
},
{
"id": "mp-26377",
"created_at": "2022-09-04T14:44:57.571000Z",
"structure_string": "Li10 Bi4 P10 O36\n1.0\n6.790296 0.000000 0.000000\n-0.279972 9.528991 0.000000\n-0.264746 -1.449747 11.142255\nLi Bi P O\n10 4 10 36\ndirect\n0.983314 0.043318 0.864264 Li\n0.016686 0.956682 0.135736 Li\n0.179563 0.889559 0.646169 Li\n0.869519 0.775663 0.336823 Li\n0.405977 0.725288 0.403924 Li\n0.820437 0.110441 0.353831 Li\n0.130481 0.224337 0.663177 Li\n0.594023 0.274712 0.596076 Li\n0.337870 0.374513 0.852614 Li\n0.662130 0.625487 0.147386 Li\n0.337710 0.763655 0.937361 Bi\n0.777449 0.634648 0.607349 Bi\n0.222551 0.365352 0.392651 Bi\n0.662290 0.236345 0.062639 Bi\n0.277077 0.578984 0.658756 P\n0.147699 0.579378 0.165350 P\n0.824042 0.732916 0.908323 P\n0.514130 0.932216 0.216389 P\n0.219080 0.005567 0.403594 P\n0.485870 0.067784 0.783611 P\n0.175958 0.267084 0.091677 P\n0.780920 0.994433 0.596406 P\n0.722923 0.421016 0.341244 P\n0.852301 0.420622 0.834650 P\n0.255283 0.886793 0.478641 O\n0.583368 0.974309 0.671628 O\n0.351549 0.915197 0.116033 O\n0.040863 0.974180 0.316529 O\n0.959137 0.025820 0.683471 O\n0.648451 0.084803 0.883967 O\n0.416632 0.025691 0.328372 O\n0.689949 0.026227 0.186745 O\n0.744717 0.113207 0.521359 O\n0.208483 0.153647 0.479258 O\n0.421136 0.204476 0.737729 O\n0.010494 0.158785 0.043701 O\n0.032193 0.330637 0.827953 O\n0.270578 0.234958 0.209689 O\n0.699633 0.391994 0.929089 O\n0.883694 0.307242 0.331141 O\n0.340737 0.278920 0.001268 O\n0.310051 0.973773 0.813255 O\n0.563084 0.370365 0.426185 O\n0.188308 0.432252 0.602726 O\n0.065355 0.415891 0.116151 O\n0.637260 0.436321 0.214390 O\n0.362740 0.563679 0.785610 O\n0.934645 0.584109 0.883849 O\n0.811692 0.567748 0.397274 O\n0.436916 0.629635 0.573815 O\n0.249191 0.574328 0.288966 O\n0.659263 0.721080 0.998732 O\n0.116306 0.692758 0.668859 O\n0.300367 0.608006 0.070911 O\n0.729422 0.765042 0.790311 O\n0.967807 0.669363 0.172047 O\n0.989506 0.841215 0.956299 O\n0.578864 0.795524 0.262271 O\n0.791517 0.846353 0.520742 O\n0.750809 0.425672 0.711034 O\n",
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"elements": [
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"P",
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],
"chemical_system": "Bi-Li-O-P",
"density": 4.125223792489964,
"density_atomic": 0.08322284034009336,
"volume": 720.9559269403409,
"volume_molar": 7.236163456318348,
"formula_full": "Li10 Bi4 P10 O36",
"formula_reduced": "Li5Bi2P5O18",
"formula_anonymous": "A2B5C5D18",
"energy": -422.07585997,
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"updated_at": "2021-11-28T01:36:46.639000Z",
"spacegroup": 2
},
{
"id": "mp-1221082",
"created_at": "2022-09-04T14:44:00.485972Z",
"structure_string": "Rb8 Cu16 Ge6 S24\n1.0\n-6.168775 6.168775 9.221628\n6.168775 -6.168775 9.221628\n6.168775 6.168775 -9.221628\nRb Cu Ge S\n8 16 6 24\ndirect\n0.324030 0.175970 0.500000 Rb\n0.675970 0.824030 0.500000 Rb\n0.824030 0.324030 0.148061 Rb\n0.175970 0.675970 0.851939 Rb\n0.848601 0.348601 0.500000 Rb\n0.151399 0.651399 0.500000 Rb\n0.348601 0.848601 0.500000 Rb\n0.651399 0.151399 0.500000 Rb\n0.659478 0.840874 0.818975 Cu\n0.659126 0.840522 0.181025 Cu\n0.659497 0.478101 0.818975 Cu\n0.021899 0.840503 0.181025 Cu\n0.159478 0.340503 0.818603 Cu\n0.159497 0.340522 0.181397 Cu\n0.159126 0.978101 0.818603 Cu\n0.521899 0.340874 0.181397 Cu\n0.836734 0.654089 0.176109 Cu\n0.845911 0.663266 0.823891 Cu\n0.839375 0.022019 0.176109 Cu\n0.477981 0.660625 0.823891 Cu\n0.336734 0.160625 0.182645 Cu\n0.339375 0.163266 0.817355 Cu\n0.345911 0.522019 0.182645 Cu\n0.977981 0.154089 0.817355 Cu\n0.500640 0.500640 0.501279 Ge\n0.999360 0.999360 0.498721 Ge\n0.500000 0.500000 0.000000 Ge\n0.000000 0.000000 0.000000 Ge\n0.499360 0.000640 0.000000 Ge\n0.000640 0.499360 0.000000 Ge\n0.675201 0.672445 0.641978 S\n0.827555 0.824799 0.358022 S\n0.466777 0.469533 0.641978 S\n0.030467 0.033223 0.358022 S\n0.318411 0.324339 0.788422 S\n0.175661 0.181589 0.211578 S\n0.970011 0.964083 0.788422 S\n0.535917 0.529989 0.211578 S\n0.675661 0.464083 0.994072 S\n0.818411 0.029989 0.994072 S\n0.470011 0.681589 0.005928 S\n0.035917 0.824339 0.005928 S\n0.327555 0.969533 0.002756 S\n0.175201 0.533223 0.002756 S\n0.966777 0.324799 0.997244 S\n0.530467 0.172445 0.997244 S\n0.681968 0.031068 0.211223 S\n0.819845 0.470745 0.788777 S\n0.468932 0.818032 0.788777 S\n0.029255 0.680155 0.211223 S\n0.319845 0.531068 0.349100 S\n0.181968 0.970745 0.650900 S\n0.968932 0.180155 0.650900 S\n0.529255 0.318032 0.349100 S\n",
"nsites": 54,
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"elements": [
"Rb",
"Cu",
"Ge",
"S"
],
"chemical_system": "Cu-Ge-Rb-S",
"density": 3.437645460367756,
"density_atomic": 0.03847054240236084,
"volume": 1403.6713970709743,
"volume_molar": 15.65390135916159,
"formula_full": "Rb8 Cu16 Ge6 S24",
"formula_reduced": "Rb4Cu8(GeS4)3",
"formula_anonymous": "A3B4C8D12",
"energy": -240.88192449,
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"updated_at": "2021-11-28T01:36:31.417000Z",
"spacegroup": 120
},
{
"id": "mp-1027474",
"created_at": "2022-09-04T14:44:57.914969Z",
"structure_string": "Mo2 W2 Se6 S2\n1.0\n1.645728 -2.850485 0.000000\n1.645728 2.850485 0.000000\n0.000000 0.000000 37.407972\nMo W Se S\n2 2 6 2\ndirect\n0.000000 0.000000 0.093920 Mo\n0.333333 0.666667 0.281798 Mo\n0.000000 0.000000 0.469651 W\n0.333333 0.666667 0.657552 W\n0.000000 0.000000 0.326853 Se\n0.000000 0.000000 0.702902 Se\n0.333333 0.666667 0.424322 Se\n0.333333 0.666667 0.514968 Se\n0.000000 0.000000 0.236704 Se\n0.000000 0.000000 0.612228 Se\n0.333333 0.666667 0.052929 S\n0.333333 0.666667 0.134921 S\n",
"nsites": 12,
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],
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"formula_full": "Mo2 W2 Se6 S2",
"formula_reduced": "MoWSe3S",
"formula_anonymous": "ABCD3",
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"updated_at": "2021-11-28T01:36:47.059000Z",
"spacegroup": 156
},
{
"id": "mp-1096887",
"created_at": "2022-09-04T14:44:00.505213Z",
"structure_string": "Ca4 Fe4 O10\n1.0\n5.370570 0.000000 0.000000\n0.000000 5.514668 0.000000\n0.000000 0.000000 8.236567\nCa Fe O\n4 4 10\ndirect\n0.962321 0.784919 0.500000 Ca\n0.462321 0.215081 0.000000 Ca\n0.556790 0.294280 0.500000 Ca\n0.056790 0.705720 0.000000 Ca\n0.488536 0.747819 0.719888 Fe\n0.988536 0.252181 0.780112 Fe\n0.988536 0.252181 0.219888 Fe\n0.488536 0.747819 0.280112 Fe\n0.876742 0.293693 0.000000 O\n0.376742 0.706307 0.500000 O\n0.731978 0.027301 0.309961 O\n0.231978 0.972699 0.190039 O\n0.794870 0.525990 0.687316 O\n0.294870 0.474010 0.812684 O\n0.731978 0.027301 0.690039 O\n0.231978 0.972699 0.809961 O\n0.294870 0.474010 0.187316 O\n0.794870 0.525990 0.312684 O\n",
"nsites": 18,
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"elements": [
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],
"chemical_system": "Ca-Fe-O",
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"density_atomic": 0.07378813205462469,
"volume": 243.94166783724467,
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"formula_full": "Ca4 Fe4 O10",
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"formula_anonymous": "A2B2C5",
"energy": -132.48851214,
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"updated_at": "2021-11-28T01:36:23.409000Z",
"spacegroup": 31
},
{
"id": "mp-1247638",
"created_at": "2022-09-04T14:44:57.614662Z",
"structure_string": "Sr4 Ca28 Mn32 O96\n1.0\n10.850945 0.000815 -0.000488\n0.001142 15.203434 -0.001364\n-0.000482 -0.000963 10.720758\nSr Ca Mn O\n4 28 32 96\ndirect\n0.016604 0.124811 0.497289 Sr\n0.483395 0.375189 0.002711 Sr\n0.231989 0.375545 0.246542 Sr\n0.268011 0.124455 0.253457 Sr\n0.021910 0.124911 0.994573 Ca\n0.022680 0.625074 0.495369 Ca\n0.022570 0.625102 0.995588 Ca\n0.522356 0.124864 0.495884 Ca\n0.523262 0.124738 0.995212 Ca\n0.522745 0.625138 0.495487 Ca\n0.522623 0.625285 0.995795 Ca\n0.478089 0.375089 0.505428 Ca\n0.477319 0.874926 0.004631 Ca\n0.477429 0.874898 0.504412 Ca\n0.977644 0.375136 0.004115 Ca\n0.976738 0.375262 0.504788 Ca\n0.977255 0.874862 0.004513 Ca\n0.977377 0.874715 0.504205 Ca\n0.226764 0.375274 0.744290 Ca\n0.227116 0.874586 0.245640 Ca\n0.227157 0.874755 0.745456 Ca\n0.729150 0.374994 0.246686 Ca\n0.727851 0.374973 0.744968 Ca\n0.727641 0.875031 0.245691 Ca\n0.727412 0.875023 0.745446 Ca\n0.273236 0.124726 0.755709 Ca\n0.272883 0.625414 0.254359 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Mn\n-0.000022 0.749907 0.750023 Mn\n0.502576 0.248807 0.250810 Mn\n0.500075 0.249295 0.748319 Mn\n0.500224 0.750234 0.250159 Mn\n0.500022 0.750093 0.749977 Mn\n0.101993 0.267426 0.101792 O\n0.104954 0.271716 0.606302 O\n0.103945 0.770454 0.102943 O\n0.103896 0.770305 0.603036 O\n0.610269 0.266165 0.108133 O\n0.604440 0.269678 0.602410 O\n0.603960 0.770387 0.102986 O\n0.603893 0.770380 0.603067 O\n0.398007 0.232573 0.398209 O\n0.395046 0.228283 0.893699 O\n0.396054 0.729545 0.397057 O\n0.396103 0.729694 0.896965 O\n0.889731 0.233834 0.391866 O\n0.895560 0.230321 0.897591 O\n0.896040 0.729612 0.397015 O\n0.896107 0.729619 0.896934 O\n0.141212 0.235127 0.358436 O\n0.145896 0.230152 0.851921 O\n0.146076 0.729731 0.353057 O\n0.146025 0.729640 0.852939 O\n0.645859 0.229532 0.354435 O\n0.645207 0.230262 0.853808 O\n0.646153 0.729545 0.353046 O\n0.646046 0.729556 0.852979 O\n0.358788 0.264872 0.141564 O\n0.354104 0.269847 0.648080 O\n0.353923 0.770268 0.146943 O\n0.353974 0.770359 0.647062 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"structure_string": "V4 Cd4 Ni4 P8 O52\n1.0\n-3.584989 7.738073 9.508444\n3.584989 -7.738073 9.508444\n3.584989 7.738073 -9.508444\nV Cd Ni P O\n4 4 4 8 52\ndirect\n0.242294 0.778872 0.036769 V\n0.757706 0.794476 0.536578 V\n0.257897 0.294476 0.536769 V\n0.742103 0.278872 0.036578 V\n0.000000 0.277475 0.277475 Cd\n0.500000 0.723968 0.223968 Cd\n0.500000 0.223968 0.723968 Cd\n0.000000 0.777475 0.777475 Cd\n0.870619 0.999174 0.374741 Ni\n0.129381 0.504123 0.128555 Ni\n0.624433 0.499174 0.628555 Ni\n0.375567 0.004123 0.874741 Ni\n0.024152 0.398695 0.617054 P\n0.975848 0.592902 0.374543 P\n0.281394 0.409343 0.884748 P\n0.718606 0.603354 0.127949 P\n0.475405 0.103354 0.384748 P\n0.524595 0.909343 0.627949 P\n0.218359 0.092902 0.117054 P\n0.781641 0.898695 0.874543 P\n0.998451 0.982911 0.461259 O\n0.001549 0.462808 0.984460 O\n0.521652 0.482911 0.484460 O\n0.478348 0.962808 0.961259 O\n0.103677 0.590960 0.844810 O\n0.896323 0.741133 0.487283 O\n0.248249 0.268791 0.660434 O\n0.751751 0.412184 0.020542 O\n0.391642 0.912184 0.160434 O\n0.608358 0.768791 0.520542 O\n0.253850 0.241133 0.344810 O\n0.746150 0.090960 0.987283 O\n0.046063 0.607768 0.508470 O\n0.953937 0.462407 0.561705 O\n0.599140 0.538905 0.994251 O\n0.400860 0.395112 0.939766 O\n0.455346 0.895112 0.494251 O\n0.544654 0.038905 0.439766 O\n0.900702 0.962407 0.008470 O\n0.099298 0.107768 0.061705 O\n0.954923 0.284348 0.588490 O\n0.045077 0.633567 0.329424 O\n0.195795 0.358939 0.905274 O\n0.804205 0.709479 0.163144 O\n0.546334 0.209479 0.405274 O\n0.453666 0.858939 0.663144 O\n0.304143 0.133567 0.088490 O\n0.695857 0.784348 0.829424 O\n0.803959 0.117965 0.551786 O\n0.196041 0.747826 0.314005 O\n0.041879 0.262754 0.930217 O\n0.958121 0.888338 0.220875 O\n0.667463 0.388338 0.430217 O\n0.332537 0.762754 0.720875 O\n0.433821 0.247826 0.051786 O\n0.566179 0.617965 0.814005 O\n0.756791 0.001368 0.262929 O\n0.243209 0.506138 0.244577 O\n0.738439 0.501368 0.744577 O\n0.261561 0.006138 0.762929 O\n0.098062 0.270263 0.468241 O\n0.901938 0.370179 0.172201 O\n0.299163 0.634007 0.040108 O\n0.700837 0.740945 0.334845 O\n0.406100 0.240945 0.540108 O\n0.593900 0.134007 0.834845 O\n0.197978 0.870179 0.968241 O\n0.802022 0.770263 0.672201 O\n0.211984 0.958810 0.250896 O\n0.788016 0.038912 0.746826 O\n0.292087 0.538912 0.750896 O\n0.707913 0.458810 0.246826 O\n",
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"formula_full": "V4 Cd4 Ni4 P8 O52",
"formula_reduced": "VCdNiP2O13",
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"energy_above_hull": null,
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"band_gap": 0.2020999999999999,
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"updated_at": "2021-11-28T01:36:48.486000Z",
"spacegroup": 45
},
{
"id": "mp-1028679",
"created_at": "2022-09-04T14:43:58.879553Z",
"structure_string": "Te4 W4 Se2 S2\n1.0\n1.699083 -2.942899 0.000000\n1.699083 2.942899 0.000000\n0.000000 0.000000 38.847261\nTe W Se S\n4 4 2 2\ndirect\n0.000000 0.000000 0.330263 Te\n0.000000 0.000000 0.706019 Te\n0.000000 0.000000 0.233302 Te\n0.000000 0.000000 0.609059 Te\n0.000000 0.000000 0.093936 W\n0.000000 0.000000 0.469660 W\n0.333333 0.666667 0.281794 W\n0.333333 0.666667 0.657552 W\n0.333333 0.666667 0.427054 Se\n0.333333 0.666667 0.512252 Se\n0.333333 0.666667 0.055122 S\n0.333333 0.666667 0.132736 S\n",
"nsites": 12,
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"elements": [
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"Se",
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],
"chemical_system": "S-Se-Te-W",
"density": 6.273914392757751,
"density_atomic": 0.030888789913490623,
"volume": 388.4904534495546,
"volume_molar": 19.49620162157871,
"formula_full": "Te4 W4 Se2 S2",
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"energy": -87.19244683000001,
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"updated_at": "2021-11-28T01:36:07.223000Z",
"spacegroup": 156
},
{
"id": "mp-571637",
"created_at": "2022-09-04T14:45:53.062341Z",
"structure_string": "K24 Cd24 Te36\n1.0\n16.051397 0.000000 0.000000\n0.000000 13.497927 0.000000\n0.000000 1.142194 14.522745\nK Cd Te\n24 24 36\ndirect\n0.961341 0.142518 0.560648 K\n0.770281 0.733787 0.267993 K\n0.024577 0.642832 0.046457 K\n0.054917 0.980632 0.122588 K\n0.526492 0.474822 0.145234 K\n0.554917 0.019368 0.377412 K\n0.473508 0.525178 0.854766 K\n0.026492 0.525178 0.354766 K\n0.524577 0.357168 0.453543 K\n0.529618 0.247684 0.766834 K\n0.229719 0.266213 0.732007 K\n0.538659 0.142518 0.060648 K\n0.475423 0.642832 0.546457 K\n0.029618 0.752316 0.733166 K\n0.945083 0.019368 0.877412 K\n0.270281 0.266213 0.232007 K\n0.970382 0.247684 0.266834 K\n0.975423 0.357168 0.953543 K\n0.729719 0.733787 0.767993 K\n0.470382 0.752316 0.233166 K\n0.973508 0.474822 0.645234 K\n0.461341 0.857482 0.939352 K\n0.445083 0.980632 0.622588 K\n0.038659 0.857482 0.439352 K\n0.246274 0.681177 0.886525 Cd\n0.791308 0.631373 0.019336 Cd\n0.291308 0.368627 0.480664 Cd\n0.253726 0.681177 0.386525 Cd\n0.750225 0.177557 0.904537 Cd\n0.729844 0.442778 0.318682 Cd\n0.309447 0.137655 0.990876 Cd\n0.270156 0.557222 0.681318 Cd\n0.770156 0.442778 0.818682 Cd\n0.290707 0.008395 0.322831 Cd\n0.229844 0.557222 0.181318 Cd\n0.209293 0.008395 0.822831 Cd\n0.249775 0.822443 0.095463 Cd\n0.749775 0.177557 0.404537 Cd\n0.809447 0.862345 0.509124 Cd\n0.190553 0.137655 0.490876 Cd\n0.709293 0.991605 0.677169 Cd\n0.790707 0.991605 0.177169 Cd\n0.746274 0.318823 0.613475 Cd\n0.250225 0.822443 0.595463 Cd\n0.708692 0.631373 0.519336 Cd\n0.208692 0.368627 0.980664 Cd\n0.753726 0.318823 0.113475 Cd\n0.690553 0.862345 0.009124 Cd\n0.155085 0.509946 0.832499 Te\n0.122625 0.067497 0.325307 Te\n0.861530 0.262249 0.761505 Te\n0.888969 0.584724 0.862322 Te\n0.879462 0.670274 0.483067 Te\n0.139885 0.843920 0.932908 Te\n0.620538 0.670274 0.983067 Te\n0.111031 0.415276 0.137678 Te\n0.860115 0.156080 0.067092 Te\n0.634393 0.835430 0.560053 Te\n0.344915 0.509946 0.332499 Te\n0.638470 0.262249 0.261505 Te\n0.611031 0.584724 0.362322 Te\n0.347614 0.648135 0.050448 Te\n0.844915 0.490054 0.167501 Te\n0.365607 0.164570 0.439947 Te\n0.648773 0.013574 0.862652 Te\n0.655085 0.490054 0.667501 Te\n0.865607 0.835430 0.060053 Te\n0.361530 0.737751 0.738495 Te\n0.388969 0.415276 0.637678 Te\n0.152386 0.648135 0.550448 Te\n0.877375 0.932503 0.674693 Te\n0.622625 0.932503 0.174693 Te\n0.377375 0.067497 0.825307 Te\n0.360115 0.843920 0.432908 Te\n0.379462 0.329726 0.016933 Te\n0.120538 0.329726 0.516933 Te\n0.652386 0.351865 0.949552 Te\n0.351227 0.986426 0.137348 Te\n0.847614 0.351865 0.449552 Te\n0.639885 0.156080 0.567092 Te\n0.148773 0.986426 0.637348 Te\n0.134393 0.164570 0.939947 Te\n0.138470 0.737751 0.238495 Te\n0.851227 0.013574 0.362652 Te\n",
"nsites": 84,
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"elements": [
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"Cd",
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],
"chemical_system": "Cd-K-Te",
"density": 4.343211511741299,
"density_atomic": 0.026696274726637742,
"volume": 3146.506426838055,
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"formula_full": "K24 Cd24 Te36",
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"updated_at": "2021-11-28T01:37:13.139000Z",
"spacegroup": 14
}
]
}