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{
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"results": [
{
"id": "mp-1097544",
"created_at": "2022-09-04T14:39:46.099117Z",
"structure_string": "Be1 Ga1 Pd2\n1.0\n-4.489899 5.151816 7.283789\n4.489899 -5.151816 7.283789\n4.489899 5.151816 -7.283789\nBe Ga Pd\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Be\n0.000000 0.500000 0.500000 Ga\n0.000000 0.234079 0.234079 Pd\n0.000000 0.765921 0.765921 Pd\n",
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"Pd"
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"volume": 673.9291831711519,
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{
"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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"Cd",
"Se",
"O"
],
"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,
"energy_per_atom": -5.876650610661764,
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"updated_at": "2021-11-28T01:34:32.771000Z",
"spacegroup": 14
},
{
"id": "mp-1209470",
"created_at": "2022-09-04T14:39:39.568729Z",
"structure_string": "Pr8 W4 O24\n1.0\n5.802335 8.474447 0.000000\n-5.802335 8.474447 0.000000\n0.000000 1.697879 5.377275\nPr W O\n8 4 24\ndirect\n0.629372 0.370628 0.750000 Pr\n0.370628 0.629372 0.250000 Pr\n0.108759 0.891241 0.750000 Pr\n0.891241 0.108759 0.250000 Pr\n0.710830 0.939820 0.886287 Pr\n0.289170 0.060180 0.113713 Pr\n0.060180 0.289170 0.613713 Pr\n0.939820 0.710830 0.386287 Pr\n0.503870 0.799834 0.560272 W\n0.496130 0.200166 0.439728 W\n0.200166 0.496130 0.939728 W\n0.799834 0.503870 0.060272 W\n0.680089 0.163674 0.577936 O\n0.319911 0.836326 0.422064 O\n0.836326 0.319911 0.922064 O\n0.163674 0.680089 0.077936 O\n0.385061 0.825443 0.867854 O\n0.614939 0.174557 0.132146 O\n0.174557 0.614939 0.632146 O\n0.825443 0.385061 0.367854 O\n0.675530 0.786902 0.636326 O\n0.324470 0.213098 0.363674 O\n0.213098 0.324470 0.863674 O\n0.786902 0.675530 0.136326 O\n0.472740 0.068069 0.732464 O\n0.527260 0.931931 0.267536 O\n0.931931 0.527260 0.767536 O\n0.068069 0.472740 0.232464 O\n0.546153 0.614983 0.518748 O\n0.453847 0.385017 0.481252 O\n0.385017 0.453847 0.981252 O\n0.614983 0.546153 0.018748 O\n0.893661 0.921917 0.078533 O\n0.106339 0.078083 0.921467 O\n0.078083 0.106339 0.421467 O\n0.921917 0.893661 0.578533 O\n",
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"formula_full": "Pr8 W4 O24",
"formula_reduced": "Pr2WO6",
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},
{
"id": "mp-780878",
"created_at": "2022-09-04T14:39:46.087882Z",
"structure_string": "Li4 Mn4 P12 O36\n1.0\n7.405491 0.000000 0.000000\n0.000000 9.197793 0.000000\n0.000000 0.000000 12.104072\nLi Mn P O\n4 4 12 36\ndirect\n0.750000 0.973350 0.031242 Li\n0.750000 0.473350 0.468758 Li\n0.250000 0.526650 0.531242 Li\n0.250000 0.026650 0.968758 Li\n0.750000 0.523032 0.714347 Mn\n0.750000 0.023032 0.785653 Mn\n0.250000 0.976968 0.214347 Mn\n0.250000 0.476968 0.285653 Mn\n0.952578 0.748418 0.348980 P\n0.952578 0.248418 0.151020 P\n0.750000 0.307202 0.959646 P\n0.750000 0.807202 0.540354 P\n0.547422 0.248418 0.151020 P\n0.547422 0.748418 0.348980 P\n0.452578 0.251582 0.651020 P\n0.452578 0.751582 0.848980 P\n0.250000 0.692798 0.040354 P\n0.250000 0.192798 0.459646 P\n0.047422 0.251582 0.651020 P\n0.047422 0.751582 0.848980 P\n0.982096 0.654293 0.758686 O\n0.982096 0.154293 0.741314 O\n0.941478 0.884477 0.882849 O\n0.941478 0.384477 0.617151 O\n0.917432 0.346148 0.040966 O\n0.917432 0.846148 0.459034 O\n0.750000 0.689170 0.318910 O\n0.750000 0.906960 0.636274 O\n0.750000 0.406960 0.863726 O\n0.750000 0.144494 0.941773 O\n0.750000 0.189170 0.181090 O\n0.750000 0.644494 0.558227 O\n0.582568 0.346148 0.040966 O\n0.582568 0.846148 0.459034 O\n0.558522 0.884477 0.882849 O\n0.558522 0.384477 0.617151 O\n0.517904 0.654293 0.758686 O\n0.517904 0.154293 0.741314 O\n0.482096 0.845707 0.258686 O\n0.482096 0.345707 0.241314 O\n0.441478 0.115523 0.117151 O\n0.441478 0.615523 0.382849 O\n0.417432 0.153852 0.540966 O\n0.417432 0.653852 0.959034 O\n0.250000 0.855506 0.058227 O\n0.250000 0.593040 0.136274 O\n0.250000 0.355506 0.441773 O\n0.250000 0.093040 0.363726 O\n0.250000 0.310830 0.681090 O\n0.250000 0.810830 0.818910 O\n0.082568 0.153852 0.540966 O\n0.082568 0.653852 0.959034 O\n0.058522 0.615523 0.382849 O\n0.058522 0.115523 0.117151 O\n0.017904 0.345707 0.241314 O\n0.017904 0.845707 0.258686 O\n",
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"formula_full": "Li4 Mn4 P12 O36",
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{
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"structure_string": "Th1 Ni1 Sn1\n1.0\n0.000000 3.291550 3.291550\n3.291550 0.000000 3.291550\n3.291550 3.291550 0.000000\nTh Ni Sn\n1 1 1\ndirect\n0.250000 0.250000 0.250000 Th\n0.000000 0.000000 0.000000 Ni\n0.750000 0.750000 0.750000 Sn\n",
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"formula_full": "Th1 Ni1 Sn1",
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{
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"structure_string": "Tm2 H18 C10 N4 O16\n1.0\n-6.715058 0.000000 0.000000\n0.000000 0.000000 -8.531430\n3.357529 -9.131359 0.000000\nTm H C N O\n2 18 10 4 16\ndirect\n0.857828 0.750000 0.715657 Tm\n0.142172 0.250000 0.284343 Tm\n0.313167 0.750000 0.626334 H\n0.686833 0.250000 0.373666 H\n0.076427 0.440511 0.579603 H\n0.496823 0.559489 0.420397 H\n0.923573 0.940511 0.420397 H\n0.503177 0.059489 0.579603 H\n0.765664 0.000000 0.000000 H\n0.234336 0.500000 0.000000 H\n0.655221 0.750000 0.310441 H\n0.344779 0.250000 0.689559 H\n0.658522 0.670619 0.011439 H\n0.647083 0.329381 0.988561 H\n0.341478 0.170619 0.988561 H\n0.352917 0.829381 0.011439 H\n0.828678 0.601932 0.185629 H\n0.643048 0.398068 0.814371 H\n0.171322 0.101932 0.814371 H\n0.356952 0.898068 0.185629 H\n0.373807 0.750000 0.747614 C\n0.626193 0.250000 0.252386 C\n0.006135 0.524338 0.488550 C\n0.517584 0.475662 0.511450 C\n0.993865 0.024338 0.511450 C\n0.482416 0.975662 0.488550 C\n0.930398 0.000000 0.000000 C\n0.069602 0.500000 0.000000 C\n0.595296 0.750000 0.190592 C\n0.404704 0.250000 0.809408 C\n0.699100 0.666126 0.123448 N\n0.575652 0.333874 0.876552 N\n0.300900 0.166126 0.876552 N\n0.424348 0.833874 0.123448 N\n0.970428 0.925267 0.900326 O\n0.070102 0.074733 0.099674 O\n0.029572 0.425267 0.099674 O\n0.929898 0.574733 0.900326 O\n0.240052 0.734836 0.812623 O\n0.427428 0.265164 0.187377 O\n0.759948 0.234836 0.187377 O\n0.572572 0.765164 0.812623 O\n0.931699 0.652272 0.517016 O\n0.414683 0.347728 0.482984 O\n0.068301 0.152272 0.482984 O\n0.585317 0.847728 0.517016 O\n0.994949 0.984578 0.637271 O\n0.357678 0.015422 0.362729 O\n0.005051 0.484578 0.362729 O\n0.642322 0.515422 0.637271 O\n",
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{
"id": "mp-1101817",
"created_at": "2022-09-04T14:39:46.107577Z",
"structure_string": "Sm4 Ni4 Ge4\n1.0\n4.322442 0.000000 0.000000\n0.000000 7.128635 0.000000\n0.000000 0.000000 7.243721\nSm Ni Ge\n4 4 4\ndirect\n0.250000 0.485179 0.200650 Sm\n0.250000 0.985179 0.299350 Sm\n0.750000 0.514821 0.799350 Sm\n0.750000 0.014821 0.700650 Sm\n0.250000 0.178150 0.920895 Ni\n0.250000 0.678150 0.579105 Ni\n0.750000 0.821850 0.079105 Ni\n0.750000 0.321850 0.420895 Ni\n0.250000 0.306980 0.593334 Ge\n0.250000 0.806980 0.906666 Ge\n0.750000 0.693020 0.406666 Ge\n0.750000 0.193020 0.093334 Ge\n",
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