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{
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"next": "https://simmate.org/third-parties/OqmdStructure/?format=api&ordering=-volume&page=76",
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"results": [
{
"id": "oqmd-24749",
"created_at": "2022-09-04T15:17:44.049600Z",
"updated_at": "2022-09-04T15:17:44.049623Z",
"structure_string": "Cs8 Ga8 Te16\n1.0\n6.035610 -6.034628 -0.003277\n-6.035610 -6.034628 0.003277\n3.003339 0.000000 -18.053100\nCs Ga Te\n8 8 16\ndirect\n0.850414 0.775011 0.099099 Cs\n0.348359 0.776629 0.106745 Cs\n0.776629 0.348359 0.393255 Cs\n0.775011 0.850414 0.400901 Cs\n0.224990 0.149587 0.599098 Cs\n0.223371 0.651642 0.606745 Cs\n0.651642 0.223372 0.893255 Cs\n0.149588 0.224989 0.900902 Cs\n0.084700 0.292635 0.170997 Ga\n0.579640 0.292856 0.171243 Ga\n0.292855 0.579641 0.328756 Ga\n0.292636 0.084700 0.329003 Ga\n0.707365 0.915300 0.670997 Ga\n0.707144 0.420359 0.671243 Ga\n0.420359 0.707144 0.828756 Ga\n0.915301 0.707364 0.829003 Ga\n0.355438 0.269971 0.079745 Te\n0.854161 0.270672 0.081686 Te\n0.051443 0.573782 0.249824 Te\n0.051173 0.051172 0.250000 Te\n0.573902 0.573902 0.250000 Te\n0.573782 0.051443 0.250176 Te\n0.270672 0.854161 0.418314 Te\n0.269971 0.355438 0.420254 Te\n0.730030 0.644564 0.579745 Te\n0.729328 0.145839 0.581685 Te\n0.426217 0.948557 0.749824 Te\n0.426098 0.426097 0.750000 Te\n0.948829 0.948828 0.750000 Te\n0.948557 0.426217 0.750176 Te\n0.145839 0.729328 0.918314 Te\n0.644563 0.730030 0.920254 Te\n",
"nsites": 32,
"nelements": 3,
"elements": [
"Cs",
"Ga",
"Te"
],
"chemical_system": "Cs-Ga-Te",
"density": 4.625169318147998,
"density_atomic": 0.024335246590074158,
"volume": 1314.9651014036626,
"volume_molar": 24.74657792231416,
"formula_full": "Cs8 Ga8 Te16",
"formula_reduced": "CsGaTe2",
"formula_anonymous": "ABC2",
"formation_energy": -0.750082067916665,
"spacegroup": 15
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{
"id": "oqmd-1437149",
"created_at": "2022-09-04T15:49:59.502685Z",
"updated_at": "2022-09-04T15:49:59.502711Z",
"structure_string": "Rb12 P2\n1.0\n6.850847 3.955339 8.085050\n-6.850847 3.955339 8.085050\n0.000000 -7.910677 8.085050\nP Rb\n2 12\ndirect\n0.325605 0.325605 0.325605 P\n0.674394 0.674394 0.674394 P\n0.481762 0.136818 0.136818 Rb\n0.136818 0.481762 0.136818 Rb\n0.519062 0.519062 0.199608 Rb\n0.800392 0.480938 0.480938 Rb\n0.480938 0.800392 0.480938 Rb\n0.136818 0.136818 0.481762 Rb\n0.863182 0.863182 0.518238 Rb\n0.519062 0.199608 0.519062 Rb\n0.199608 0.519062 0.519062 Rb\n0.480938 0.480938 0.800392 Rb\n0.863182 0.518238 0.863182 Rb\n0.518238 0.863182 0.863182 Rb\n",
"nsites": 14,
"nelements": 2,
"elements": [
"P",
"Rb"
],
"chemical_system": "P-Rb",
"density": 1.3738549047086932,
"density_atomic": 0.01065040521985762,
"volume": 1314.5039752944874,
"volume_molar": 56.54377120573546,
"formula_full": "Rb12 P2",
"formula_reduced": "Rb6P",
"formula_anonymous": "AB6",
"formation_energy": -0.036376426279991,
"spacegroup": 166
},
{
"id": "oqmd-1101037",
"created_at": "2022-09-04T15:34:07.117554Z",
"updated_at": "2022-09-04T15:34:07.117581Z",
"structure_string": "La16 Si16 H16 O64\n1.0\n7.976675 0.000000 0.000000\n0.000000 9.155964 0.000000\n0.000000 0.000000 17.995462\nH La O Si\n16 16 64 16\ndirect\n0.930359 0.132471 0.001928 H\n0.569641 0.632471 0.001928 H\n0.798373 0.414264 0.217808 H\n0.701628 0.914264 0.217808 H\n0.298372 0.414264 0.282192 H\n0.201628 0.914264 0.282192 H\n0.430358 0.132471 0.498072 H\n0.069641 0.632471 0.498072 H\n0.930359 0.367529 0.501928 H\n0.569641 0.867529 0.501928 H\n0.798373 0.085735 0.717808 H\n0.701628 0.585735 0.717808 H\n0.298372 0.085735 0.782192 H\n0.201628 0.585735 0.782192 H\n0.430358 0.367529 0.998072 H\n0.069641 0.867529 0.998072 H\n0.633878 0.184341 0.117155 La\n0.866123 0.684341 0.117155 La\n0.126148 0.324751 0.124881 La\n0.373852 0.824751 0.124881 La\n0.626147 0.324751 0.375119 La\n0.873853 0.824751 0.375119 La\n0.133878 0.184341 0.382845 La\n0.366122 0.684341 0.382845 La\n0.633878 0.315660 0.617155 La\n0.866123 0.815660 0.617155 La\n0.126148 0.175250 0.624881 La\n0.373852 0.675249 0.624881 La\n0.626147 0.175250 0.875119 La\n0.873853 0.675249 0.875119 La\n0.133878 0.315660 0.882845 La\n0.366122 0.815660 0.882845 La\n0.290556 0.397173 0.000705 O\n0.209444 0.897173 0.000705 O\n0.079311 0.173518 0.006064 O\n0.420688 0.673517 0.006064 O\n0.849252 0.392610 0.072800 O\n0.650747 0.892609 0.072800 O\n0.350053 0.097914 0.082840 O\n0.149947 0.597915 0.082840 O\n0.411112 0.375122 0.152593 O\n0.088888 0.875121 0.152593 O\n0.922314 0.133184 0.167398 O\n0.577686 0.633185 0.167398 O\n0.554969 0.003912 0.210978 O\n0.945030 0.503912 0.210978 O\n0.681715 0.363540 0.224335 O\n0.818285 0.863540 0.224335 O\n0.181715 0.363540 0.275665 O\n0.318284 0.863540 0.275665 O\n0.054970 0.003912 0.289022 O\n0.445030 0.503912 0.289022 O\n0.422314 0.133184 0.332602 O\n0.077685 0.633185 0.332602 O\n0.911111 0.375122 0.347408 O\n0.588888 0.875121 0.347408 O\n0.850053 0.097914 0.417160 O\n0.649946 0.597915 0.417160 O\n0.349252 0.392610 0.427200 O\n0.150747 0.892609 0.427200 O\n0.579312 0.173518 0.493936 O\n0.920688 0.673517 0.493936 O\n0.790555 0.397173 0.499296 O\n0.709445 0.897173 0.499296 O\n0.290556 0.102827 0.500705 O\n0.209444 0.602827 0.500705 O\n0.079311 0.326482 0.506064 O\n0.420688 0.826483 0.506064 O\n0.849252 0.107390 0.572800 O\n0.650747 0.607391 0.572800 O\n0.350053 0.402085 0.582840 O\n0.149947 0.902085 0.582840 O\n0.411112 0.124878 0.652593 O\n0.088888 0.624879 0.652593 O\n0.922314 0.366816 0.667398 O\n0.577686 0.866815 0.667398 O\n0.554969 0.496089 0.710978 O\n0.945030 0.996088 0.710978 O\n0.681715 0.136461 0.724335 O\n0.818285 0.636461 0.724335 O\n0.181715 0.136461 0.775665 O\n0.318284 0.636461 0.775665 O\n0.054970 0.496089 0.789022 O\n0.445030 0.996088 0.789022 O\n0.422314 0.366816 0.832602 O\n0.077685 0.866815 0.832602 O\n0.911111 0.124878 0.847408 O\n0.588888 0.624879 0.847408 O\n0.850053 0.402085 0.917160 O\n0.649946 0.902085 0.917160 O\n0.349252 0.107390 0.927200 O\n0.150747 0.607391 0.927200 O\n0.579312 0.326482 0.993936 O\n0.920688 0.826483 0.993936 O\n0.790555 0.102827 0.999295 O\n0.709445 0.602827 0.999295 O\n0.250525 0.073790 0.004568 Si\n0.249475 0.573790 0.004568 Si\n0.522722 0.480393 0.205615 Si\n0.977278 0.980394 0.205615 Si\n0.022721 0.480393 0.294385 Si\n0.477279 0.980394 0.294385 Si\n0.750524 0.073790 0.495432 Si\n0.749475 0.573790 0.495432 Si\n0.250525 0.426210 0.504568 Si\n0.249475 0.926209 0.504568 Si\n0.522722 0.019607 0.705615 Si\n0.977278 0.519607 0.705615 Si\n0.022721 0.019607 0.794385 Si\n0.477279 0.519607 0.794385 Si\n0.750524 0.426210 0.995432 Si\n0.749475 0.926209 0.995432 Si\n",
"nsites": 112,
"nelements": 4,
"elements": [
"H",
"La",
"O",
"Si"
],
"chemical_system": "H-La-O-Si",
"density": 4.689878125364966,
"density_atomic": 0.0852175507276686,
"volume": 1314.2832555458042,
"volume_molar": 7.06678461018561,
"formula_full": "La16 Si16 H16 O64",
"formula_reduced": "LaSiHO4",
"formula_anonymous": "ABCD4",
"formation_energy": -2.98321398599274,
"spacegroup": 61
},
{
"id": "oqmd-1338447",
"created_at": "2022-09-04T15:46:03.318345Z",
"updated_at": "2022-09-04T15:46:03.318393Z",
"structure_string": "Cs4 Pb34\n1.0\n11.468375 0.000000 0.000000\n-5.734188 9.931904 0.000000\n0.000000 0.000000 11.529278\nCs Pb\n4 34\ndirect\n0.000000 0.000000 0.250000 Cs\n0.666667 0.333333 0.250000 Cs\n0.000000 0.000000 0.750000 Cs\n0.333333 0.666667 0.750000 Cs\n0.500000 0.000000 0.000000 Pb\n0.000000 0.500000 0.000000 Pb\n0.500000 0.500000 0.000000 Pb\n0.329806 0.164903 0.026583 Pb\n0.835097 0.164903 0.026583 Pb\n0.835097 0.670194 0.026583 Pb\n0.333333 0.666667 0.101384 Pb\n0.041624 0.371674 0.250000 Pb\n0.330050 0.371674 0.250000 Pb\n0.041624 0.669950 0.250000 Pb\n0.628326 0.669950 0.250000 Pb\n0.330050 0.958376 0.250000 Pb\n0.628326 0.958376 0.250000 Pb\n0.333333 0.666667 0.398616 Pb\n0.329806 0.164903 0.473417 Pb\n0.835097 0.164903 0.473417 Pb\n0.835097 0.670194 0.473417 Pb\n0.500000 0.000000 0.500000 Pb\n0.000000 0.500000 0.500000 Pb\n0.500000 0.500000 0.500000 Pb\n0.164903 0.329807 0.526583 Pb\n0.164903 0.835097 0.526583 Pb\n0.670194 0.835097 0.526583 Pb\n0.666667 0.333333 0.601383 Pb\n0.371674 0.041624 0.750000 Pb\n0.669950 0.041624 0.750000 Pb\n0.371674 0.330051 0.750000 Pb\n0.958376 0.330051 0.750000 Pb\n0.669950 0.628326 0.750000 Pb\n0.958376 0.628326 0.750000 Pb\n0.666667 0.333333 0.898617 Pb\n0.164903 0.329807 0.973417 Pb\n0.164903 0.835097 0.973417 Pb\n0.670194 0.835097 0.973417 Pb\n",
"nsites": 38,
"nelements": 2,
"elements": [
"Cs",
"Pb"
],
"chemical_system": "Cs-Pb",
"density": 9.580247594578681,
"density_atomic": 0.028936572416100342,
"volume": 1313.2170408288148,
"volume_molar": 20.81152070605734,
"formula_full": "Cs4 Pb34",
"formula_reduced": "Cs2Pb17",
"formula_anonymous": "A2B17",
"formation_energy": -0.0514636852631583,
"spacegroup": 194
},
{
"id": "oqmd-1452731",
"created_at": "2022-09-04T15:50:56.755461Z",
"updated_at": "2022-09-04T15:50:56.755476Z",
"structure_string": "Cs8 Sn8 Te12\n1.0\n14.797135 0.000000 0.000000\n0.000000 8.402749 0.000000\n0.000000 0.000000 10.560364\nCs Sn Te\n8 8 12\ndirect\n0.146409 0.750000 0.011372 Cs\n0.558920 0.250000 0.164468 Cs\n0.058920 0.250000 0.335533 Cs\n0.646409 0.750000 0.488629 Cs\n0.353591 0.250000 0.511372 Cs\n0.941080 0.750000 0.664468 Cs\n0.441081 0.750000 0.835533 Cs\n0.853592 0.250000 0.988629 Cs\n0.696756 0.750000 0.028235 Sn\n0.433036 0.750000 0.216640 Sn\n0.933036 0.750000 0.283361 Sn\n0.196756 0.750000 0.471766 Sn\n0.803243 0.250000 0.528235 Sn\n0.066964 0.250000 0.716640 Sn\n0.566964 0.250000 0.783360 Sn\n0.303244 0.250000 0.971766 Sn\n0.893311 0.750000 0.015961 Te\n0.312249 0.022718 0.187947 Te\n0.312249 0.477282 0.187947 Te\n0.812249 0.022718 0.312054 Te\n0.812249 0.477282 0.312054 Te\n0.393311 0.750000 0.484040 Te\n0.606689 0.250000 0.515960 Te\n0.187751 0.522718 0.687947 Te\n0.187751 0.977281 0.687947 Te\n0.687751 0.522718 0.812053 Te\n0.687751 0.977281 0.812053 Te\n0.106690 0.250000 0.984040 Te\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Cs",
"Sn",
"Te"
],
"chemical_system": "Cs-Sn-Te",
"density": 4.482084539810317,
"density_atomic": 0.021324561844701342,
"volume": 1313.0398741091765,
"volume_molar": 28.240396233493357,
"formula_full": "Cs8 Sn8 Te12",
"formula_reduced": "Cs2Sn2Te3",
"formula_anonymous": "A2B2C3",
"formation_energy": -0.6347085191003424,
"spacegroup": 62
},
{
"id": "oqmd-49087",
"created_at": "2022-09-04T15:51:46.488913Z",
"updated_at": "2022-09-04T15:51:46.488940Z",
"structure_string": "Sb4 C4 N36 Cl24\n1.0\n8.894112 0.000000 0.000000\n0.000000 10.720259 0.000000\n-5.743076 0.000000 13.771066\nC Cl N Sb\n4 24 36 4\ndirect\n0.697339 0.251805 0.100578 C\n0.302661 0.751805 0.399422 C\n0.697339 0.248195 0.600578 C\n0.302661 0.748195 0.899422 C\n0.726676 0.855766 0.005716 Cl\n0.962810 0.309478 0.011793 Cl\n0.341770 0.422505 0.116446 Cl\n0.092409 0.031637 0.136713 Cl\n0.472252 0.154930 0.241847 Cl\n0.849270 0.806317 0.242037 Cl\n0.150730 0.306317 0.257963 Cl\n0.527748 0.654930 0.258153 Cl\n0.907591 0.531637 0.363287 Cl\n0.658230 0.922505 0.383554 Cl\n0.037190 0.809478 0.488207 Cl\n0.273324 0.355766 0.494284 Cl\n0.726676 0.644234 0.505716 Cl\n0.962810 0.190522 0.511793 Cl\n0.341770 0.077495 0.616446 Cl\n0.092409 0.468363 0.636713 Cl\n0.472252 0.345070 0.741847 Cl\n0.849270 0.693683 0.742037 Cl\n0.150730 0.193683 0.757963 Cl\n0.527748 0.845070 0.758153 Cl\n0.907591 0.968363 0.863287 Cl\n0.658230 0.577495 0.883554 Cl\n0.037190 0.690522 0.988207 Cl\n0.273324 0.144234 0.994284 Cl\n0.613324 0.273488 0.004973 N\n0.414571 0.818945 0.051122 N\n0.699376 0.558951 0.108782 N\n0.449785 0.889667 0.112565 N\n0.714094 0.455938 0.128318 N\n0.735123 0.133875 0.133395 N\n0.741788 0.347978 0.163956 N\n0.106809 0.589724 0.200012 N\n0.818479 0.120948 0.222792 N\n0.181521 0.620948 0.277208 N\n0.893191 0.089724 0.299988 N\n0.258212 0.847978 0.336044 N\n0.264877 0.633875 0.366605 N\n0.285906 0.955938 0.371682 N\n0.550215 0.389667 0.387435 N\n0.300624 0.058951 0.391218 N\n0.585429 0.318945 0.448878 N\n0.386676 0.773488 0.495027 N\n0.613324 0.226512 0.504973 N\n0.414571 0.681055 0.551122 N\n0.699376 0.941049 0.608782 N\n0.449785 0.610333 0.612565 N\n0.714094 0.044062 0.628318 N\n0.735123 0.366125 0.633395 N\n0.741788 0.152022 0.663956 N\n0.106809 0.910276 0.700012 N\n0.818479 0.379052 0.722792 N\n0.181521 0.879052 0.777208 N\n0.893191 0.410276 0.799988 N\n0.258212 0.652022 0.836044 N\n0.264877 0.866125 0.866605 N\n0.285906 0.544062 0.871682 N\n0.550215 0.110333 0.887435 N\n0.300624 0.441049 0.891218 N\n0.585429 0.181055 0.948878 N\n0.386676 0.726512 0.995027 N\n0.213910 0.227248 0.125544 Sb\n0.786090 0.727248 0.374456 Sb\n0.213910 0.272752 0.625544 Sb\n0.786090 0.772752 0.874456 Sb\n",
"nsites": 68,
"nelements": 4,
"elements": [
"C",
"Cl",
"N",
"Sb"
],
"chemical_system": "C-Cl-N-Sb",
"density": 2.390454630852891,
"density_atomic": 0.05178851772624664,
"volume": 1313.0323667390333,
"volume_molar": 11.628331963144706,
"formula_full": "Sb4 C4 N36 Cl24",
"formula_reduced": "SbC(N3Cl2)3",
"formula_anonymous": "ABC6D9",
"formation_energy": -0.1062147327533112,
"spacegroup": 14
},
{
"id": "oqmd-24655",
"created_at": "2022-09-04T15:17:44.958177Z",
"updated_at": "2022-09-04T15:17:44.958206Z",
"structure_string": "K16 Pb16\n1.0\n-11.693812 0.000000 0.000000\n0.000000 -11.693812 0.000000\n5.846906 5.846906 9.600239\nK Pb\n16 16\ndirect\n0.750000 0.119190 0.000000 K\n0.250000 0.380810 0.000000 K\n0.750000 0.619191 0.000000 K\n0.250000 0.880809 0.000000 K\n0.502600 0.252600 0.250000 K\n0.747400 0.497400 0.250000 K\n0.247401 0.752599 0.250000 K\n0.002599 0.997401 0.250000 K\n0.380809 0.250000 0.500000 K\n0.880810 0.250000 0.500000 K\n0.119191 0.750000 0.500000 K\n0.619190 0.750000 0.500000 K\n0.997400 0.002600 0.750000 K\n0.752600 0.247400 0.750000 K\n0.252599 0.502600 0.750000 K\n0.497401 0.747400 0.750000 K\n0.127900 0.196399 0.132353 Pb\n0.004453 0.435953 0.132353 Pb\n0.504453 0.696400 0.132353 Pb\n0.627900 0.935954 0.132353 Pb\n0.064047 0.372100 0.367647 Pb\n0.303601 0.495547 0.367647 Pb\n0.803600 0.872100 0.367647 Pb\n0.564047 0.995547 0.367647 Pb\n0.435954 0.004454 0.632353 Pb\n0.196399 0.127900 0.632353 Pb\n0.696400 0.504453 0.632353 Pb\n0.935953 0.627899 0.632353 Pb\n0.372100 0.064047 0.867647 Pb\n0.495547 0.303601 0.867647 Pb\n0.995547 0.564046 0.867647 Pb\n0.872100 0.803600 0.867647 Pb\n",
"nsites": 32,
"nelements": 2,
"elements": [
"K",
"Pb"
],
"chemical_system": "K-Pb",
"density": 4.984667961903011,
"density_atomic": 0.02437562266472482,
"volume": 1312.7869773890452,
"volume_molar": 24.705587392911774,
"formula_full": "K16 Pb16",
"formula_reduced": "KPb",
"formula_anonymous": "AB",
"formation_energy": -0.2447718021875,
"spacegroup": 142
},
{
"id": "oqmd-1453416",
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