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{
"count": 1013513,
"next": "https://simmate.org/third-parties/OqmdStructure/?format=api&ordering=-volume&page=14",
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"results": [
{
"id": "oqmd-82505",
"created_at": "2022-09-04T15:33:40.247237Z",
"updated_at": "2022-09-04T15:33:40.247267Z",
"structure_string": "Hg24 Sb20 Br28\n1.0\n13.172836 0.000000 0.000000\n0.000000 13.172836 0.000000\n0.000000 0.000000 13.172836\nBr Hg Sb\n28 24 20\ndirect\n0.000000 0.000000 0.000000 Br\n0.500000 0.500000 0.000000 Br\n0.447287 0.204334 0.044132 Br\n0.052713 0.704334 0.044132 Br\n0.704334 0.044132 0.052713 Br\n0.795666 0.544133 0.052713 Br\n0.044132 0.447287 0.204334 Br\n0.455868 0.947287 0.204334 Br\n0.544133 0.447287 0.295666 Br\n0.955868 0.947287 0.295666 Br\n0.204334 0.044132 0.447287 Br\n0.295666 0.544133 0.447287 Br\n0.947287 0.204334 0.455868 Br\n0.552712 0.704334 0.455868 Br\n0.500000 0.000000 0.500000 Br\n0.000000 0.500000 0.500000 Br\n0.447287 0.295666 0.544133 Br\n0.052713 0.795666 0.544133 Br\n0.704334 0.455868 0.552712 Br\n0.795666 0.955868 0.552712 Br\n0.044132 0.052713 0.704334 Br\n0.455868 0.552712 0.704334 Br\n0.544133 0.052713 0.795666 Br\n0.955868 0.552712 0.795666 Br\n0.204334 0.455868 0.947287 Br\n0.295666 0.955868 0.947287 Br\n0.947287 0.295666 0.955868 Br\n0.552712 0.795666 0.955868 Br\n0.680816 0.296869 0.054179 Hg\n0.819184 0.796869 0.054179 Hg\n0.296869 0.445821 0.180816 Hg\n0.203131 0.945821 0.180816 Hg\n0.945821 0.180816 0.203131 Hg\n0.554179 0.680816 0.203131 Hg\n0.445821 0.180816 0.296869 Hg\n0.054179 0.680816 0.296869 Hg\n0.796869 0.445821 0.319183 Hg\n0.703131 0.945821 0.319183 Hg\n0.180816 0.296869 0.445821 Hg\n0.319183 0.796869 0.445821 Hg\n0.680816 0.203131 0.554179 Hg\n0.819184 0.703131 0.554179 Hg\n0.296869 0.054179 0.680816 Hg\n0.203131 0.554179 0.680816 Hg\n0.945821 0.319183 0.703131 Hg\n0.554179 0.819184 0.703131 Hg\n0.445821 0.319183 0.796869 Hg\n0.054179 0.819184 0.796869 Hg\n0.796869 0.054179 0.819184 Hg\n0.703131 0.554179 0.819184 Hg\n0.180816 0.203131 0.945821 Hg\n0.319183 0.703131 0.945821 Hg\n0.500000 0.000000 0.000000 Sb\n0.000000 0.500000 0.000000 Sb\n0.134496 0.134496 0.134496 Sb\n0.365504 0.634496 0.134496 Sb\n0.760110 0.260110 0.239890 Sb\n0.739890 0.760110 0.239890 Sb\n0.260110 0.260110 0.260110 Sb\n0.239890 0.760110 0.260110 Sb\n0.634496 0.134496 0.365504 Sb\n0.865504 0.634496 0.365504 Sb\n0.000000 0.000000 0.500000 Sb\n0.500000 0.500000 0.500000 Sb\n0.134496 0.365504 0.634496 Sb\n0.365504 0.865504 0.634496 Sb\n0.760110 0.239890 0.739890 Sb\n0.739890 0.739890 0.739890 Sb\n0.260110 0.239890 0.760110 Sb\n0.239890 0.739890 0.760110 Sb\n0.634496 0.365504 0.865504 Sb\n0.865504 0.865504 0.865504 Sb\n",
"nsites": 72,
"nelements": 3,
"elements": [
"Br",
"Hg",
"Sb"
],
"chemical_system": "Br-Hg-Sb",
"density": 6.891680381834098,
"density_atomic": 0.03149884588568899,
"volume": 2285.7980340388303,
"volume_molar": 19.118607652657094,
"formula_full": "Hg24 Sb20 Br28",
"formula_reduced": "Hg6Sb5Br7",
"formula_anonymous": "A5B6C7",
"formation_energy": -0.451699884539359,
"spacegroup": 205
},
{
"id": "oqmd-26943",
"created_at": "2022-09-04T14:49:03.561353Z",
"updated_at": "2022-09-04T14:49:03.561383Z",
"structure_string": "Sr34 Li12 Hg18\n1.0\n8.279485 8.279485 8.279485\n8.279485 -8.279485 -8.279485\n-8.279485 8.279485 -8.279485\nHg Li Sr\n18 12 34\ndirect\n0.231104 0.231104 0.000000 Hg\n0.704672 0.295329 0.000000 Hg\n0.295329 0.704672 0.000000 Hg\n0.768896 0.768896 0.000000 Hg\n0.231104 0.000000 0.231104 Hg\n0.000000 0.231104 0.231104 Hg\n0.704672 0.000000 0.295329 Hg\n0.590658 0.295329 0.295329 Hg\n0.295329 0.590658 0.295329 Hg\n0.000000 0.704672 0.295329 Hg\n0.704672 0.704672 0.409343 Hg\n0.295329 0.295329 0.590658 Hg\n0.295329 0.000000 0.704672 Hg\n0.000000 0.295329 0.704672 Hg\n0.704672 0.409343 0.704672 Hg\n0.409343 0.704672 0.704672 Hg\n0.768896 0.000000 0.768896 Hg\n0.000000 0.768896 0.768896 Hg\n0.852020 0.147981 0.000000 Li\n0.147981 0.852020 0.000000 Li\n0.852020 0.000000 0.147981 Li\n0.295962 0.147981 0.147981 Li\n0.147981 0.295962 0.147981 Li\n0.000000 0.852020 0.147981 Li\n0.147981 0.147981 0.295962 Li\n0.852020 0.852020 0.704039 Li\n0.147981 0.000000 0.852020 Li\n0.000000 0.147981 0.852020 Li\n0.852020 0.704039 0.852020 Li\n0.704039 0.852020 0.852020 Li\n0.000000 0.000000 0.000000 Sr\n0.448942 0.187843 0.000000 Sr\n0.187843 0.448942 0.000000 Sr\n0.500000 0.500000 0.000000 Sr\n0.812157 0.551058 0.000000 Sr\n0.551058 0.812157 0.000000 Sr\n0.448942 0.000000 0.187843 Sr\n0.738901 0.187843 0.187843 Sr\n0.000000 0.448942 0.187843 Sr\n0.187843 0.738901 0.187843 Sr\n0.750000 0.500000 0.250000 Sr\n0.500000 0.750000 0.250000 Sr\n0.448942 0.448942 0.261100 Sr\n0.812157 0.812157 0.261100 Sr\n0.187843 0.000000 0.448942 Sr\n0.000000 0.187843 0.448942 Sr\n0.448942 0.261100 0.448942 Sr\n0.261100 0.448942 0.448942 Sr\n0.500000 0.000000 0.500000 Sr\n0.750000 0.250000 0.500000 Sr\n0.000000 0.500000 0.500000 Sr\n0.250000 0.750000 0.500000 Sr\n0.812157 0.000000 0.551058 Sr\n0.000000 0.812157 0.551058 Sr\n0.738901 0.551058 0.551058 Sr\n0.551058 0.738901 0.551058 Sr\n0.187843 0.187843 0.738901 Sr\n0.551058 0.551058 0.738901 Sr\n0.500000 0.250000 0.750000 Sr\n0.250000 0.500000 0.750000 Sr\n0.551058 0.000000 0.812157 Sr\n0.812157 0.261100 0.812157 Sr\n0.000000 0.551058 0.812157 Sr\n0.261100 0.812157 0.812157 Sr\n",
"nsites": 64,
"nelements": 3,
"elements": [
"Hg",
"Li",
"Sr"
],
"chemical_system": "Hg-Li-Sr",
"density": 4.880898082851954,
"density_atomic": 0.028190969496435885,
"volume": 2270.230543440209,
"volume_molar": 21.361949828512866,
"formula_full": "Sr34 Li12 Hg18",
"formula_reduced": "Sr17(Li2Hg3)3",
"formula_anonymous": "A6B9C17",
"formation_energy": -0.319759294990513,
"spacegroup": 229
},
{
"id": "oqmd-649070",
"created_at": "2022-09-04T15:51:40.160371Z",
"updated_at": "2022-09-04T15:51:40.160393Z",
"structure_string": "Rb32 Si32\n1.0\n13.135369 0.000000 0.000000\n0.000000 13.135369 0.000000\n0.000000 0.000000 13.135369\nRb Si\n32 32\ndirect\n0.337080 0.140031 0.065696 Rb\n0.662920 0.859969 0.065696 Rb\n0.065696 0.337080 0.140031 Rb\n0.934304 0.662920 0.140031 Rb\n0.565696 0.359969 0.162920 Rb\n0.434304 0.640031 0.162920 Rb\n0.833115 0.166885 0.166885 Rb\n0.166885 0.833115 0.166885 Rb\n0.333115 0.333115 0.333115 Rb\n0.666885 0.666885 0.333115 Rb\n0.140031 0.065696 0.337080 Rb\n0.859969 0.934304 0.337080 Rb\n0.837080 0.434304 0.359969 Rb\n0.162920 0.565696 0.359969 Rb\n0.640031 0.162920 0.434304 Rb\n0.359969 0.837080 0.434304 Rb\n0.359969 0.162920 0.565696 Rb\n0.640031 0.837080 0.565696 Rb\n0.162920 0.434304 0.640031 Rb\n0.837080 0.565696 0.640031 Rb\n0.859969 0.065696 0.662920 Rb\n0.140031 0.934304 0.662920 Rb\n0.666885 0.333115 0.666885 Rb\n0.333115 0.666885 0.666885 Rb\n0.166885 0.166885 0.833115 Rb\n0.833115 0.833115 0.833115 Rb\n0.434304 0.359969 0.837080 Rb\n0.565696 0.640031 0.837080 Rb\n0.934304 0.337080 0.859969 Rb\n0.065696 0.662920 0.859969 Rb\n0.662920 0.140031 0.934304 Rb\n0.337080 0.859969 0.934304 Rb\n0.314821 0.428839 0.060374 Si\n0.685179 0.571161 0.060374 Si\n0.065637 0.065637 0.065637 Si\n0.934363 0.934363 0.065637 Si\n0.814821 0.439626 0.071161 Si\n0.185179 0.560374 0.071161 Si\n0.560374 0.071161 0.185179 Si\n0.439626 0.928839 0.185179 Si\n0.428839 0.060374 0.314821 Si\n0.571161 0.939626 0.314821 Si\n0.060374 0.314821 0.428839 Si\n0.939626 0.685179 0.428839 Si\n0.565637 0.434363 0.434363 Si\n0.434363 0.565637 0.434363 Si\n0.928839 0.185179 0.439626 Si\n0.071161 0.814821 0.439626 Si\n0.071161 0.185179 0.560374 Si\n0.928839 0.814821 0.560374 Si\n0.434363 0.434363 0.565637 Si\n0.565637 0.565637 0.565637 Si\n0.939626 0.314821 0.571161 Si\n0.060374 0.685179 0.571161 Si\n0.571161 0.060374 0.685179 Si\n0.428839 0.939626 0.685179 Si\n0.439626 0.071161 0.814821 Si\n0.560374 0.928839 0.814821 Si\n0.185179 0.439626 0.928839 Si\n0.814821 0.560374 0.928839 Si\n0.934363 0.065637 0.934363 Si\n0.065637 0.934363 0.934363 Si\n0.685179 0.428839 0.939626 Si\n0.314821 0.571161 0.939626 Si\n",
"nsites": 64,
"nelements": 2,
"elements": [
"Rb",
"Si"
],
"chemical_system": "Rb-Si",
"density": 2.6623920209741283,
"density_atomic": 0.028239248906280733,
"volume": 2266.34922948555,
"volume_molar": 21.325428236374258,
"formula_full": "Rb32 Si32",
"formula_reduced": "RbSi",
"formula_anonymous": "AB",
"formation_energy": -0.0497477429687505,
"spacegroup": 218
},
{
"id": "oqmd-48039",
"created_at": "2022-09-04T15:51:35.536343Z",
"updated_at": "2022-09-04T15:51:35.536363Z",
"structure_string": "Rb32 Si32\n1.0\n13.123194 0.000000 0.000000\n0.000000 13.123194 0.000000\n0.000000 0.000000 13.123194\nRb Si\n32 32\ndirect\n0.336832 0.140214 0.065434 Rb\n0.663168 0.859786 0.065434 Rb\n0.065434 0.336832 0.140214 Rb\n0.934567 0.663168 0.140214 Rb\n0.565434 0.359786 0.163168 Rb\n0.434566 0.640215 0.163168 Rb\n0.833039 0.166961 0.166961 Rb\n0.166961 0.833039 0.166961 Rb\n0.333039 0.333039 0.333039 Rb\n0.666961 0.666961 0.333039 Rb\n0.140214 0.065434 0.336832 Rb\n0.859786 0.934567 0.336832 Rb\n0.836832 0.434566 0.359786 Rb\n0.163168 0.565434 0.359786 Rb\n0.640215 0.163168 0.434566 Rb\n0.359786 0.836832 0.434566 Rb\n0.359786 0.163168 0.565434 Rb\n0.640215 0.836832 0.565434 Rb\n0.163168 0.434566 0.640215 Rb\n0.836832 0.565434 0.640215 Rb\n0.859786 0.065434 0.663168 Rb\n0.140214 0.934567 0.663168 Rb\n0.666961 0.333039 0.666961 Rb\n0.333039 0.666961 0.666961 Rb\n0.166961 0.166961 0.833039 Rb\n0.833039 0.833039 0.833039 Rb\n0.434566 0.359786 0.836832 Rb\n0.565434 0.640215 0.836832 Rb\n0.934567 0.336832 0.859786 Rb\n0.065434 0.663168 0.859786 Rb\n0.663168 0.140214 0.934567 Rb\n0.336832 0.859786 0.934567 Rb\n0.314884 0.428918 0.060460 Si\n0.685116 0.571082 0.060460 Si\n0.065659 0.065659 0.065659 Si\n0.934342 0.934342 0.065659 Si\n0.814884 0.439540 0.071082 Si\n0.185116 0.560460 0.071082 Si\n0.560460 0.071082 0.185116 Si\n0.439540 0.928918 0.185116 Si\n0.428918 0.060460 0.314884 Si\n0.571082 0.939540 0.314884 Si\n0.060460 0.314884 0.428918 Si\n0.939540 0.685116 0.428918 Si\n0.565658 0.434342 0.434342 Si\n0.434342 0.565658 0.434342 Si\n0.928918 0.185116 0.439540 Si\n0.071082 0.814884 0.439540 Si\n0.071082 0.185116 0.560460 Si\n0.928918 0.814884 0.560460 Si\n0.434342 0.434342 0.565658 Si\n0.565658 0.565658 0.565658 Si\n0.939540 0.314884 0.571082 Si\n0.060460 0.685116 0.571082 Si\n0.571082 0.060460 0.685116 Si\n0.428918 0.939540 0.685116 Si\n0.439540 0.071082 0.814884 Si\n0.560460 0.928918 0.814884 Si\n0.185116 0.439540 0.928918 Si\n0.814884 0.560460 0.928918 Si\n0.934342 0.065659 0.934342 Si\n0.065659 0.934342 0.934342 Si\n0.685116 0.428918 0.939540 Si\n0.314884 0.571082 0.939540 Si\n",
"nsites": 64,
"nelements": 2,
"elements": [
"Rb",
"Si"
],
"chemical_system": "Rb-Si",
"density": 2.66980897405312,
"density_atomic": 0.02831791845699822,
"volume": 2260.0531213897766,
"volume_molar": 21.266184409510316,
"formula_full": "Rb32 Si32",
"formula_reduced": "RbSi",
"formula_anonymous": "AB",
"formation_energy": -0.0496352023437505,
"spacegroup": 218
},
{
"id": "oqmd-53799",
"created_at": "2022-09-04T15:33:29.523575Z",
"updated_at": "2022-09-04T15:33:29.523595Z",
"structure_string": "Cs16 In16 Sb24\n1.0\n16.071225 0.000000 0.009910\n0.000000 7.711235 0.000000\n-0.212108 0.000000 18.228850\nCs In Sb\n16 16 24\ndirect\n0.858398 0.022529 0.005606 Cs\n0.652270 0.538928 0.018829 Cs\n0.554772 0.050544 0.100945 Cs\n0.925396 0.529394 0.108433 Cs\n0.074604 0.029393 0.391567 Cs\n0.445228 0.550545 0.399055 Cs\n0.347731 0.038928 0.481172 Cs\n0.141602 0.522530 0.494394 Cs\n0.858398 0.477471 0.505606 Cs\n0.652269 0.961072 0.518828 Cs\n0.554772 0.449456 0.600945 Cs\n0.925396 0.970606 0.608433 Cs\n0.074604 0.470607 0.891567 Cs\n0.445228 0.949456 0.899055 Cs\n0.347730 0.461071 0.981171 Cs\n0.141601 0.977471 0.994394 Cs\n0.315640 0.720429 0.174792 In\n0.180753 0.234192 0.181789 In\n0.093412 0.709021 0.231318 In\n0.405767 0.239770 0.240611 In\n0.594233 0.739770 0.259389 In\n0.906588 0.209021 0.268682 In\n0.819247 0.734192 0.318211 In\n0.684360 0.220430 0.325208 In\n0.315640 0.779570 0.674792 In\n0.180753 0.265808 0.681789 In\n0.093412 0.790978 0.731318 In\n0.405766 0.260231 0.740611 In\n0.594234 0.760230 0.759389 In\n0.906588 0.290979 0.768682 In\n0.819247 0.765809 0.818211 In\n0.684359 0.279570 0.825208 In\n0.166585 0.554386 0.102026 Sb\n0.326030 0.065065 0.116631 Sb\n0.475530 0.542712 0.166417 Sb\n0.026875 0.035608 0.175594 Sb\n0.746946 0.832030 0.176279 Sb\n0.754086 0.205656 0.179521 Sb\n0.245915 0.705656 0.320480 Sb\n0.253054 0.332030 0.323721 Sb\n0.973125 0.535608 0.324406 Sb\n0.524470 0.042712 0.333583 Sb\n0.673970 0.565064 0.383369 Sb\n0.833415 0.054387 0.397974 Sb\n0.166585 0.945614 0.602026 Sb\n0.326030 0.434936 0.616631 Sb\n0.475530 0.957289 0.666417 Sb\n0.026875 0.464393 0.675594 Sb\n0.746945 0.667971 0.676279 Sb\n0.754085 0.294345 0.679520 Sb\n0.245915 0.794345 0.820479 Sb\n0.253055 0.167970 0.823721 Sb\n0.973125 0.964393 0.824406 Sb\n0.524470 0.457289 0.833583 Sb\n0.673970 0.934936 0.883369 Sb\n0.833415 0.445613 0.897974 Sb\n",
"nsites": 56,
"nelements": 3,
"elements": [
"Cs",
"In",
"Sb"
],
"chemical_system": "Cs-In-Sb",
"density": 5.061382455002091,
"density_atomic": 0.024788641115002202,
"volume": 2259.099227755108,
"volume_molar": 24.293952750622427,
"formula_full": "Cs16 In16 Sb24",
"formula_reduced": "Cs2In2Sb3",
"formula_anonymous": "A2B2C3",
"formation_energy": -0.382771208571428,
"spacegroup": 14
},
{
"id": "oqmd-1284727",
"created_at": "2022-09-04T15:42:44.526848Z",
"updated_at": "2022-09-04T15:42:44.526875Z",
"structure_string": "Rb24 Li6 Si8\n1.0\n-8.262664 8.262664 8.262664\n8.262664 -8.262664 8.262664\n8.262664 8.262664 -8.262664\nLi Rb Si\n6 24 8\ndirect\n0.750000 0.875000 0.125000 Li\n0.625000 0.375000 0.250000 Li\n0.250000 0.625000 0.375000 Li\n0.375000 0.250000 0.625000 Li\n0.875000 0.125000 0.750000 Li\n0.125000 0.750000 0.875000 Li\n0.915038 0.691723 0.034328 Rb\n0.276685 0.119290 0.084962 Rb\n0.084962 0.276685 0.119290 Rb\n0.880710 0.465672 0.157394 Rb\n0.415038 0.534328 0.191723 Rb\n0.308277 0.842606 0.223315 Rb\n0.119290 0.084962 0.276685 Rb\n0.842606 0.223315 0.308277 Rb\n0.808277 0.723315 0.342606 Rb\n0.657394 0.965672 0.380710 Rb\n0.534328 0.191723 0.415038 Rb\n0.157394 0.880710 0.465672 Rb\n0.191723 0.415038 0.534328 Rb\n0.619290 0.776685 0.584962 Rb\n0.776685 0.584962 0.619290 Rb\n0.965672 0.380710 0.657394 Rb\n0.034328 0.915038 0.691723 Rb\n0.342606 0.808277 0.723315 Rb\n0.584962 0.619290 0.776685 Rb\n0.723315 0.342606 0.808277 Rb\n0.223315 0.308277 0.842606 Rb\n0.465672 0.157394 0.880710 Rb\n0.691723 0.034328 0.915038 Rb\n0.380710 0.657394 0.965672 Rb\n0.084472 0.500000 0.000000 Si\n0.584472 0.500000 0.000000 Si\n0.500000 0.000000 0.084472 Si\n0.415528 0.415528 0.415528 Si\n0.000000 0.084472 0.500000 Si\n0.000000 0.584472 0.500000 Si\n0.500000 0.000000 0.584472 Si\n0.915528 0.915528 0.915528 Si\n",
"nsites": 38,
"nelements": 3,
"elements": [
"Li",
"Rb",
"Si"
],
"chemical_system": "Li-Rb-Si",
"density": 1.7055297141471832,
"density_atomic": 0.016840823625636516,
"volume": 2256.4217074367557,
"volume_molar": 35.75918193711495,
"formula_full": "Rb24 Li6 Si8",
"formula_reduced": "Rb12Li3Si4",
"formula_anonymous": "A3B4C12",
"formation_energy": 0.336793886578947,
"spacegroup": 220
},
{
"id": "oqmd-677583",
"created_at": "2022-09-04T15:33:39.446225Z",
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"Sr"
],
"chemical_system": "As-K-Sn-Sr",
"density": 3.3430710471151293,
"density_atomic": 0.02952641984489914,
"volume": 2235.2862401433977,
"volume_molar": 20.395770268234397,
"formula_full": "K24 Sr12 Sn6 As24",
"formula_reduced": "K4Sr2SnAs4",
"formula_anonymous": "AB2C4D4",
"formation_energy": -0.697051255471322,
"spacegroup": 185
}
]
}