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"results": [
{
"id": "mp-561273",
"created_at": "2022-09-04T14:39:40.208471Z",
"structure_string": "V8 Cd24 Se20 O84\n1.0\n5.549387 0.000000 0.000000\n0.000000 15.628953 0.000000\n0.000000 1.857823 24.430882\nV Cd Se O\n8 24 20 84\ndirect\n0.261112 0.791154 0.313280 V\n0.238888 0.791154 0.813280 V\n0.738888 0.208846 0.686720 V\n0.776859 0.903031 0.271908 V\n0.723141 0.903031 0.771908 V\n0.761112 0.208846 0.186720 V\n0.276859 0.096969 0.228092 V\n0.223141 0.096969 0.728092 V\n0.217286 0.227137 0.414537 Cd\n0.680712 0.376409 0.355619 Cd\n0.180712 0.623591 0.144381 Cd\n0.282714 0.227137 0.914537 Cd\n0.289804 0.544584 0.796992 Cd\n0.262798 0.912625 0.527387 Cd\n0.782714 0.772863 0.585463 Cd\n0.297558 0.987940 0.875308 Cd\n0.744240 0.530735 0.042742 Cd\n0.819288 0.376409 0.855619 Cd\n0.210196 0.544584 0.296992 Cd\n0.797558 0.012060 0.624692 Cd\n0.244240 0.469265 0.457258 Cd\n0.702442 0.012060 0.124692 Cd\n0.237202 0.912625 0.027387 Cd\n0.202442 0.987940 0.375308 Cd\n0.319288 0.623591 0.644381 Cd\n0.717286 0.772863 0.085463 Cd\n0.255760 0.469265 0.957258 Cd\n0.762798 0.087375 0.972613 Cd\n0.710196 0.455416 0.203008 Cd\n0.789804 0.455416 0.703008 Cd\n0.755760 0.530735 0.542742 Cd\n0.737202 0.087375 0.472613 Cd\n0.719528 0.574849 0.389770 Se\n0.219528 0.425151 0.110230 Se\n0.285517 0.682119 0.501199 Se\n0.705158 0.881206 0.443654 Se\n0.280472 0.425151 0.610230 Se\n0.294842 0.118794 0.556346 Se\n0.780472 0.574849 0.889770 Se\n0.314574 0.339121 0.778843 Se\n0.214483 0.682119 0.001199 Se\n0.794842 0.881206 0.943654 Se\n0.185426 0.339121 0.278843 Se\n0.260200 0.858086 0.158149 Se\n0.239800 0.858086 0.658149 Se\n0.714483 0.317881 0.498801 Se\n0.814574 0.660879 0.721157 Se\n0.685426 0.660879 0.221157 Se\n0.760200 0.141914 0.341851 Se\n0.785517 0.317881 0.998801 Se\n0.205158 0.118794 0.056346 Se\n0.739800 0.141914 0.841851 Se\n0.020071 0.893046 0.606880 O\n0.948741 0.411889 0.285091 O\n0.468946 0.492988 0.113231 O\n0.292534 0.030307 0.285689 O\n0.018868 0.488715 0.144170 O\n0.448741 0.588111 0.214909 O\n0.610985 0.242465 0.969687 O\n0.756356 0.160982 0.627432 O\n0.207466 0.030307 0.785689 O\n0.606207 0.832527 0.505443 O\n0.256356 0.839018 0.872568 O\n0.390777 0.417359 0.256317 O\n0.479929 0.893046 0.106880 O\n0.411003 0.596376 0.998072 O\n0.995794 0.034157 0.057723 O\n0.487282 0.865393 0.615970 O\n0.480557 0.648637 0.556693 O\n0.284123 0.683402 0.324509 O\n0.542657 0.939510 0.960320 O\n0.990732 0.837300 0.773815 O\n0.609223 0.582641 0.743683 O\n0.109223 0.417359 0.756317 O\n0.518868 0.511285 0.355830 O\n0.817039 0.953760 0.329322 O\n0.987282 0.134607 0.884030 O\n0.495708 0.819357 0.770373 O\n0.743644 0.160982 0.127432 O\n0.317039 0.046240 0.170678 O\n0.162595 0.751704 0.663645 O\n0.893793 0.832527 0.005443 O\n0.889015 0.242465 0.469687 O\n0.481132 0.488715 0.644170 O\n0.906948 0.557530 0.953886 O\n0.019443 0.648637 0.056693 O\n0.715877 0.316598 0.675491 O\n0.106207 0.167473 0.994557 O\n0.504292 0.180643 0.229627 O\n0.110985 0.757535 0.530313 O\n0.957343 0.939510 0.460320 O\n0.968946 0.507012 0.386769 O\n0.004206 0.965843 0.942277 O\n0.588997 0.403624 0.001928 O\n0.911003 0.403624 0.501928 O\n0.243644 0.839018 0.372568 O\n0.520071 0.106954 0.893120 O\n0.979929 0.106954 0.393120 O\n0.093052 0.442470 0.046114 O\n0.707466 0.969693 0.714311 O\n0.406948 0.442470 0.546114 O\n0.290119 0.327331 0.345854 O\n0.004292 0.819357 0.270373 O\n0.215877 0.683402 0.824509 O\n0.682961 0.953760 0.829322 O\n0.389015 0.757535 0.030313 O\n0.031054 0.492988 0.613231 O\n0.337405 0.751704 0.163645 O\n0.495794 0.965843 0.442277 O\n0.981132 0.511285 0.855830 O\n0.012718 0.865393 0.115970 O\n0.890777 0.582641 0.243683 O\n0.837405 0.248296 0.336355 O\n0.182961 0.046240 0.670678 O\n0.042657 0.060490 0.539680 O\n0.593052 0.557530 0.453886 O\n0.509268 0.837300 0.273815 O\n0.519443 0.351363 0.443307 O\n0.504206 0.034157 0.557723 O\n0.490732 0.162700 0.726185 O\n0.512718 0.134607 0.384030 O\n0.457343 0.060490 0.039680 O\n0.790119 0.672669 0.154146 O\n0.393793 0.167473 0.494557 O\n0.088997 0.596376 0.498072 O\n0.995708 0.180643 0.729627 O\n0.709881 0.672669 0.654146 O\n0.551259 0.411889 0.785091 O\n0.792534 0.969693 0.214311 O\n0.784123 0.316598 0.175491 O\n0.662595 0.248296 0.836355 O\n0.531054 0.507012 0.886769 O\n0.051259 0.588111 0.714909 O\n0.009268 0.162700 0.226185 O\n0.209881 0.327331 0.845854 O\n0.980557 0.351363 0.943307 O\n",
"nsites": 136,
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"elements": [
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],
"chemical_system": "Cd-O-Se-V",
"density": 4.7244102605042855,
"density_atomic": 0.06418371705597604,
"volume": 2118.9174799800294,
"volume_molar": 9.382661267106043,
"formula_full": "V8 Cd24 Se20 O84",
"formula_reduced": "V2Cd6Se5O21",
"formula_anonymous": "A2B5C6D21",
"energy": -799.22448305,
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"updated_at": "2021-11-28T01:34:32.771000Z",
"spacegroup": 14
},
{
"id": "mp-1219217",
"created_at": "2022-09-04T14:39:38.901735Z",
"structure_string": "Si1 Pd4\n1.0\n10.557182 -1.437350 0.000000\n10.557182 1.437350 0.000000\n10.361488 0.000000 2.481859\nSi Pd\n1 4\ndirect\n0.000000 0.000000 0.000000 Si\n0.609349 0.609349 0.609349 Pd\n0.202236 0.202236 0.202236 Pd\n0.797764 0.797764 0.797764 Pd\n0.390651 0.390651 0.390651 Pd\n",
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"density": 10.003752270016381,
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"volume": 75.32127140769833,
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"formula_full": "Si1 Pd4",
"formula_reduced": "SiPd4",
"formula_anonymous": "AB4",
"energy": -27.45912292,
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"updated_at": "2021-11-28T01:34:25.078000Z",
"spacegroup": 166
},
{
"id": "mp-1195229",
"created_at": "2022-09-04T14:39:35.862938Z",
"structure_string": "Sb4 Xe4 F44\n1.0\n5.988672 0.000000 0.000000\n0.000000 8.487377 0.000000\n0.000000 0.000000 17.239272\nSb Xe F\n4 4 44\ndirect\n0.715803 0.250000 0.456050 Sb\n0.784197 0.250000 0.956050 Sb\n0.284197 0.750000 0.543950 Sb\n0.215803 0.750000 0.043950 Sb\n0.204443 0.250000 0.649442 Xe\n0.295557 0.250000 0.149442 Xe\n0.795557 0.750000 0.350558 Xe\n0.704443 0.750000 0.850558 Xe\n0.134445 0.250000 0.760955 F\n0.365555 0.250000 0.260955 F\n0.865555 0.750000 0.239045 F\n0.634445 0.750000 0.739045 F\n0.967610 0.088119 0.651975 F\n0.532390 0.411881 0.151975 F\n0.032390 0.588119 0.348025 F\n0.467610 0.911881 0.848025 F\n0.032390 0.911881 0.348025 F\n0.467610 0.588119 0.848025 F\n0.967610 0.411881 0.651975 F\n0.532390 0.088119 0.151975 F\n0.417433 0.089114 0.685992 F\n0.082567 0.410886 0.185992 F\n0.582567 0.589114 0.314008 F\n0.917433 0.910886 0.814008 F\n0.582567 0.910886 0.314008 F\n0.917433 0.589114 0.814008 F\n0.417433 0.410886 0.685992 F\n0.082567 0.089114 0.185992 F\n0.999978 0.250000 0.511526 F\n0.500022 0.250000 0.011526 F\n0.000022 0.750000 0.488474 F\n0.499978 0.750000 0.988474 F\n0.428514 0.250000 0.409233 F\n0.071486 0.250000 0.909233 F\n0.571486 0.750000 0.590767 F\n0.928514 0.750000 0.090767 F\n0.863110 0.250000 0.358336 F\n0.636890 0.250000 0.858336 F\n0.136890 0.750000 0.641664 F\n0.363110 0.750000 0.141664 F\n0.723621 0.023986 0.458143 F\n0.776379 0.476014 0.958143 F\n0.276379 0.523986 0.541857 F\n0.223621 0.976014 0.041857 F\n0.276379 0.976014 0.541857 F\n0.223621 0.523986 0.041857 F\n0.723621 0.476014 0.458143 F\n0.776379 0.023986 0.958143 F\n0.572011 0.250000 0.557638 F\n0.927989 0.250000 0.057638 F\n0.427989 0.750000 0.442362 F\n0.072011 0.750000 0.942362 F\n",
"nsites": 52,
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"density": 3.5023652110211487,
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"volume": 876.2397340960795,
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"formula_full": "Sb4 Xe4 F44",
"formula_reduced": "SbXeF11",
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"energy": -186.03402096,
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{
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"structure_string": "Sc22 Os8\n1.0\n0.000000 6.691254 6.691254\n6.691254 0.000000 6.691254\n6.691254 6.691254 0.000000\nSc Os\n22 8\ndirect\n0.844274 0.844274 0.844274 Sc\n0.532821 0.155726 0.155726 Sc\n0.155726 0.155726 0.532821 Sc\n0.155726 0.532821 0.155726 Sc\n0.844274 0.844274 0.467179 Sc\n0.844274 0.467179 0.844274 Sc\n0.467179 0.844274 0.844274 Sc\n0.155726 0.155726 0.155726 Sc\n0.198830 0.801170 0.198830 Sc\n0.198830 0.801170 0.801170 Sc\n0.801170 0.198830 0.198830 Sc\n0.801170 0.801170 0.198830 Sc\n0.198830 0.198830 0.801170 Sc\n0.801170 0.198830 0.801170 Sc\n0.382798 0.382798 0.382798 Sc\n0.148395 0.617202 0.617202 Sc\n0.617202 0.148395 0.617202 Sc\n0.617202 0.617202 0.148395 Sc\n0.382798 0.851605 0.382798 Sc\n0.382798 0.382798 0.851605 Sc\n0.851605 0.382798 0.382798 Sc\n0.617202 0.617202 0.617202 Sc\n0.500000 0.500000 0.000000 Os\n0.000000 0.000000 0.500000 Os\n0.500000 0.000000 0.500000 Os\n0.000000 0.500000 0.500000 Os\n0.500000 0.000000 0.000000 Os\n0.000000 0.500000 0.000000 Os\n0.500000 0.500000 0.500000 Os\n0.000000 0.000000 0.000000 Os\n",
"nsites": 30,
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"formula_full": "Sc22 Os8",
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"energy": -240.25581968000003,
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{
"id": "mp-1185501",
"created_at": "2022-09-04T14:39:34.237368Z",
"structure_string": "Lu1 Mg1 Tl2\n1.0\n0.000000 3.701727 3.701727\n3.701727 0.000000 3.701727\n3.701727 3.701727 0.000000\nLu Mg Tl\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Lu\n0.000000 0.000000 0.000000 Mg\n0.250000 0.250000 0.250000 Tl\n0.750000 0.750000 0.750000 Tl\n",
"nsites": 4,
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"elements": [
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"density": 9.95261242784679,
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"volume": 101.44792200244547,
"volume_molar": 15.27334165270569,
"formula_full": "Lu1 Mg1 Tl2",
"formula_reduced": "LuMgTl2",
"formula_anonymous": "ABC2",
"energy": -11.45973303,
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"spacegroup": 225
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{
"id": "mp-625532",
"created_at": "2022-09-04T14:39:40.408661Z",
"structure_string": "Mo2 H4 O8\n1.0\n-3.763144 0.000000 0.000000\n1.744255 6.111878 0.000000\n-0.255699 -3.011865 -6.990057\nMo H O\n2 4 8\ndirect\n0.275574 0.081922 0.213893 Mo\n0.724426 0.918078 0.786107 Mo\n0.025838 0.588925 0.144834 H\n0.974162 0.411075 0.855166 H\n0.498759 0.533293 0.312764 H\n0.501241 0.466707 0.687236 H\n0.325077 0.206395 0.459317 O\n0.674923 0.793605 0.540683 O\n0.236551 0.948532 0.868147 O\n0.763449 0.051468 0.131853 O\n0.121073 0.760390 0.178941 O\n0.878927 0.239610 0.821059 O\n0.407283 0.389876 0.193974 O\n0.592717 0.610124 0.806026 O\n",
"nsites": 14,
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],
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"density": 3.345516270936376,
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"volume": 160.77045139377006,
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"formula_full": "Mo2 H4 O8",
"formula_reduced": "Mo(HO2)2",
"formula_anonymous": "AB2C4",
"energy": -96.00532799,
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{
"id": "mp-1226829",
"created_at": "2022-09-04T14:39:38.376337Z",
"structure_string": "Cd4 In1 Te4 As1\n1.0\n-2.141041 2.141041 15.176417\n2.141041 -2.141041 15.176417\n2.141041 2.141041 -15.176417\nCd In Te As\n4 1 4 1\ndirect\n0.907217 0.907217 0.000000 Cd\n0.298740 0.298740 0.000000 Cd\n0.701260 0.701260 0.000000 Cd\n0.092783 0.092783 0.000000 Cd\n0.500000 0.500000 0.000000 In\n0.800851 0.800851 0.000000 Te\n0.199149 0.199149 0.000000 Te\n0.600857 0.600857 0.000000 Te\n0.399143 0.399143 0.000000 Te\n0.000000 0.000000 0.000000 As\n",
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"formula_full": "Cd4 In1 Te4 As1",
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{
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"created_at": "2022-09-04T14:39:38.419410Z",
"structure_string": "Sr3 Cu3 Pb3 Cl1 O8\n1.0\n3.870427 0.000000 0.000000\n0.000000 3.909287 0.000000\n0.000000 0.307140 19.932177\nSr Cu Pb Cl O\n3 3 3 1 8\ndirect\n0.000000 0.517451 0.718959 Sr\n0.000000 0.484243 0.273846 Sr\n0.000000 0.501854 0.097515 Sr\n0.500000 0.004589 0.812921 Cu\n0.500000 0.995121 0.185153 Cu\n0.000000 0.497776 0.500098 Cu\n0.500000 0.000909 0.586515 Pb\n0.500000 0.997807 0.409524 Pb\n0.000000 0.495730 0.896697 Pb\n0.500000 0.004375 0.017658 Cl\n0.000000 0.002751 0.826534 O\n0.500000 0.495691 0.176503 O\n0.000000 0.996595 0.175165 O\n0.500000 0.503827 0.824593 O\n0.500000 0.024562 0.696927 O\n0.500000 0.980461 0.300763 O\n0.000000 0.600704 0.591561 O\n0.000000 0.395554 0.409067 O\n",
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"formula_full": "Sr3 Cu3 Pb3 Cl1 O8",
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