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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=spacegroup&page=3400",
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"results": [
{
"id": "jvasp-99143",
"created_at": "2022-09-04T14:36:18.837899Z",
"updated_at": "2022-09-04T14:36:18.837919Z",
"structure_string": "K12 Sb4 Te12\n1.0\n10.322702 -0.000000 0.000000\n0.000000 10.322702 -0.000000\n-0.000000 0.000000 10.322702\nK Sb Te\n12 4 12\ndirect\n0.576367 0.576367 0.576367 K\n0.923632 0.423632 0.076367 K\n0.076367 0.923632 0.423632 K\n0.423632 0.076367 0.923632 K\n0.327109 0.327109 0.327109 K\n0.172891 0.672891 0.827109 K\n0.827109 0.172891 0.672891 K\n0.672891 0.827109 0.172891 K\n0.817538 0.817538 0.817538 K\n0.682462 0.182462 0.317538 K\n0.317538 0.682462 0.182462 K\n0.182462 0.317538 0.682462 K\n0.966681 0.533319 0.466681 Sb\n0.533319 0.466681 0.966681 Sb\n0.466681 0.966681 0.533319 Sb\n0.033319 0.033319 0.033319 Sb\n0.227401 0.615540 0.501102 Te\n0.501102 0.227401 0.615540 Te\n0.615540 0.501102 0.227401 Te\n0.884459 0.498897 0.727401 Te\n0.001103 0.272599 0.384459 Te\n0.384459 0.001103 0.272599 Te\n-0.001103 0.772599 0.115540 Te\n0.498897 0.727401 0.884459 Te\n0.115540 -0.001103 0.772599 Te\n0.727401 0.884459 0.498897 Te\n0.772599 0.115540 -0.001103 Te\n0.272599 0.384459 0.001103 Te\n",
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{
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"structure_string": "K12 As4 S12\n1.0\n9.327697 0.000000 -0.000000\n0.000000 9.327697 0.000000\n0.000000 0.000000 9.327697\nK As S\n12 4 12\ndirect\n0.439068 0.439068 0.439068 K\n0.060932 0.560932 0.939068 K\n0.560932 0.939068 0.060932 K\n0.939068 0.060932 0.560932 K\n0.933748 0.933748 0.933748 K\n0.566252 0.066252 0.433748 K\n0.066252 0.433748 0.566252 K\n0.433748 0.566252 0.066252 K\n0.676508 0.676508 0.676508 K\n0.823492 0.323492 0.176508 K\n0.323492 0.176508 0.823492 K\n0.176508 0.823492 0.323492 K\n0.724805 0.275196 0.775196 As\n0.775196 0.724805 0.275196 As\n0.275196 0.775196 0.724805 As\n0.224804 0.224804 0.224804 As\n0.151227 0.459315 0.245086 S\n0.348773 0.540685 0.745087 S\n0.848773 0.959315 0.254914 S\n0.651227 0.040685 0.754914 S\n0.245086 0.151227 0.459315 S\n0.745087 0.348773 0.540685 S\n0.254914 0.848773 0.959315 S\n0.754914 0.651227 0.040685 S\n0.459315 0.245086 0.151227 S\n0.540685 0.745087 0.348773 S\n0.959315 0.254914 0.848773 S\n0.040685 0.754914 0.651227 S\n",
"nsites": 28,
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"elements": [
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],
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},
{
"id": "jvasp-2085",
"created_at": "2022-09-04T14:36:21.454989Z",
"updated_at": "2022-09-04T14:36:21.455017Z",
"structure_string": "Si4 Ru4\n1.0\n4.763030 0.000000 0.000000\n0.000000 4.763030 0.000000\n0.000000 0.000000 4.763030\nSi Ru\n4 4\ndirect\n0.163349 0.336651 0.663349 Si\n0.336651 0.663349 0.163349 Si\n0.663349 0.163349 0.336651 Si\n0.836651 0.836651 0.836651 Si\n0.873004 0.626996 0.373004 Ru\n0.626996 0.373004 0.873004 Ru\n0.373004 0.873004 0.626996 Ru\n0.126996 0.126996 0.126996 Ru\n",
"nsites": 8,
"nelements": 2,
"elements": [
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"density_atomic": 0.07403550382844463,
"volume": 108.0562647150701,
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"spacegroup": 198
},
{
"id": "jvasp-97011",
"created_at": "2022-09-04T14:36:21.237413Z",
"updated_at": "2022-09-04T14:36:21.237439Z",
"structure_string": "Na12 Al4 P12 N4 O36\n1.0\n9.311966 -0.000000 0.000000\n-0.000000 9.311966 0.000000\n0.000000 0.000000 9.311966\nNa Al P N O\n12 4 12 4 36\ndirect\n0.762894 0.737107 0.262894 Na\n0.737107 0.262894 0.762894 Na\n0.262894 0.762894 0.737107 Na\n0.237106 0.237106 0.237106 Na\n0.141956 0.358044 0.641956 Na\n0.358044 0.641956 0.141956 Na\n0.641956 0.141956 0.358044 Na\n0.451902 0.451902 0.451902 Na\n0.858044 0.858044 0.858044 Na\n0.048098 0.548098 0.951902 Na\n0.951902 0.048098 0.548098 Na\n0.548098 0.951902 0.048098 Na\n0.168833 0.831167 0.331167 Al\n0.668834 0.668834 0.668834 Al\n0.831167 0.331167 0.168833 Al\n0.331167 0.168833 0.831167 Al\n0.328375 0.079994 0.508821 P\n0.008821 0.171625 0.920007 P\n0.920007 0.008821 0.171625 P\n0.991179 0.671625 0.579994 P\n0.491179 0.828375 0.420007 P\n0.579994 0.991179 0.671625 P\n0.828375 0.420007 0.491179 P\n0.671625 0.579994 0.991179 P\n0.420007 0.491179 0.828375 P\n0.079994 0.508821 0.328375 P\n0.171625 0.920007 0.008821 P\n0.508821 0.328375 0.079994 P\n0.942548 0.557453 0.442548 N\n0.557453 0.442548 0.942548 N\n0.442548 0.942548 0.557453 N\n0.057452 0.057452 0.057452 N\n0.983798 0.902755 0.281686 O\n0.148564 0.249203 0.878827 O\n0.378826 0.351437 0.750798 O\n0.121174 0.648564 0.250798 O\n0.648564 0.250798 0.121174 O\n0.250798 0.121174 0.648564 O\n0.940234 0.086570 0.800176 O\n0.059767 0.586570 0.699825 O\n0.300175 0.559767 0.913430 O\n0.559767 0.913430 0.300175 O\n0.699825 0.059767 0.586570 O\n0.913430 0.300175 0.559767 O\n0.586570 0.699825 0.059767 O\n0.351437 0.750798 0.378826 O\n0.800176 0.940234 0.086570 O\n0.902755 0.281686 0.983798 O\n0.851437 0.749203 0.621174 O\n0.621174 0.851437 0.749203 O\n0.097245 0.781686 0.516203 O\n0.597245 0.718314 0.483798 O\n0.516203 0.097245 0.781686 O\n0.483798 0.597245 0.718314 O\n0.781686 0.516203 0.097245 O\n0.281686 0.983798 0.902755 O\n0.413430 0.199825 0.440234 O\n0.086570 0.800176 0.940234 O\n0.440234 0.413430 0.199825 O\n0.878827 0.148564 0.249203 O\n0.016203 0.402755 0.218314 O\n0.402755 0.218314 0.016203 O\n0.218314 0.016203 0.402755 O\n0.249203 0.878827 0.148564 O\n0.749203 0.621174 0.851437 O\n0.750798 0.378826 0.351437 O\n0.199825 0.440234 0.413430 O\n0.718314 0.483798 0.597245 O\n",
"nsites": 68,
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"elements": [
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],
"chemical_system": "Al-N-Na-O-P",
"density": 2.853356143718147,
"density_atomic": 0.08421409150770363,
"volume": 807.465814599206,
"volume_molar": 7.150989403536003,
"formula_full": "Na12 Al4 P12 N4 O36",
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},
{
"id": "jvasp-99041",
"created_at": "2022-09-04T14:36:33.091026Z",
"updated_at": "2022-09-04T14:36:33.091058Z",
"structure_string": "Rb12 Bi4 O12\n1.0\n8.756028 0.000000 0.000000\n0.000000 8.756028 0.000000\n-0.000000 -0.000000 8.756028\nRb Bi O\n12 4 12\ndirect\n0.211154 0.711154 0.788846 Rb\n0.293198 0.706802 0.206802 Rb\n0.206802 0.293198 0.706802 Rb\n0.029331 0.029331 0.029331 Rb\n0.470669 0.970669 0.529331 Rb\n0.529331 0.470669 0.970669 Rb\n0.970669 0.529331 0.470669 Rb\n0.793198 0.793198 0.793198 Rb\n0.706802 0.206802 0.293198 Rb\n0.711154 0.788846 0.211154 Rb\n0.288846 0.288846 0.288846 Rb\n0.788846 0.211154 0.711154 Rb\n0.020503 0.979498 0.479498 Bi\n0.479498 0.020503 0.979498 Bi\n0.520503 0.520503 0.520503 Bi\n0.979498 0.479498 0.020503 Bi\n0.785075 0.931728 0.495001 O\n0.285075 0.568272 0.504999 O\n0.068272 0.995001 0.714925 O\n0.714925 0.068272 0.995001 O\n0.995001 0.714925 0.068272 O\n0.504999 0.285075 0.568272 O\n0.214925 0.431728 0.004999 O\n0.004999 0.214925 0.431728 O\n0.495001 0.785075 0.931728 O\n0.568272 0.504999 0.285075 O\n0.931728 0.495001 0.785075 O\n0.431728 0.004999 0.214925 O\n",
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],
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{
"id": "jvasp-8005",
"created_at": "2022-09-04T14:36:33.165516Z",
"updated_at": "2022-09-04T14:36:33.165543Z",
"structure_string": "Si4 Os4\n1.0\n4.828402 -0.000000 -0.000000\n0.000000 4.828402 0.000000\n0.000000 0.000000 4.828402\nSi Os\n4 4\ndirect\n0.166133 0.333867 0.666133 Si\n0.333867 0.666133 0.166133 Si\n0.666133 0.166133 0.333867 Si\n0.833867 0.833867 0.833867 Si\n0.880546 0.619453 0.380546 Os\n0.619453 0.380546 0.880546 Os\n0.380546 0.880546 0.619453 Os\n0.119454 0.119454 0.119454 Os\n",
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"density_atomic": 0.07106892128223052,
"volume": 112.56678525104127,
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"formula_full": "Si4 Os4",
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{
"id": "jvasp-15997",
"created_at": "2022-09-04T14:36:35.067249Z",
"updated_at": "2022-09-04T14:36:35.067279Z",
"structure_string": "Re4 Si4\n1.0\n4.827012 -0.000000 -0.000000\n-0.000000 4.827012 -0.000000\n0.000000 -0.000000 4.827012\nRe Si\n4 4\ndirect\n0.867313 0.632687 0.367313 Re\n0.632687 0.367313 0.867313 Re\n0.367313 0.867313 0.632687 Re\n0.132687 0.132687 0.132687 Re\n0.156324 0.343675 0.656324 Si\n0.343675 0.656324 0.156324 Si\n0.656324 0.156324 0.343675 Si\n0.843675 0.843675 0.843675 Si\n",
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"spacegroup": 198
},
{
"id": "jvasp-43598",
"created_at": "2022-09-04T14:36:37.089237Z",
"updated_at": "2022-09-04T14:36:37.089264Z",
"structure_string": "Li4 Mn4 F12\n1.0\n6.110325 -0.000000 0.000000\n-0.000000 6.110325 -0.000000\n0.000000 0.000000 6.110325\nLi Mn F\n4 4 12\ndirect\n0.659713 0.659713 0.659713 Li\n0.840286 0.340286 0.159713 Li\n0.340286 0.159713 0.840286 Li\n0.159713 0.840286 0.340286 Li\n0.110080 0.610079 0.889919 Mn\n0.389920 0.389920 0.389920 Mn\n0.889919 0.110080 0.610079 Mn\n0.610079 0.889919 0.110080 Mn\n0.765549 0.615777 0.980816 F\n0.615777 0.980816 0.765549 F\n0.980816 0.765549 0.615777 F\n0.480817 0.734450 0.384223 F\n0.115777 0.519183 0.234451 F\n0.019183 0.265549 0.884222 F\n0.234451 0.115777 0.519183 F\n0.384223 0.480817 0.734450 F\n0.734450 0.384223 0.480817 F\n0.519183 0.234451 0.115777 F\n0.265549 0.884222 0.019183 F\n0.884222 0.019183 0.265549 F\n",
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{
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"updated_at": "2022-09-04T14:36:37.473460Z",
"structure_string": "Sn4 Rh4\n1.0\n5.210907 0.000000 -0.000000\n-0.000000 5.210907 -0.000000\n-0.000000 -0.000000 5.210907\nSn Rh\n4 4\ndirect\n0.839283 0.839283 0.839283 Sn\n0.660718 0.160717 0.339283 Sn\n0.339283 0.660718 0.160717 Sn\n0.160717 0.339283 0.660718 Sn\n0.143388 0.143388 0.143388 Rh\n0.356613 0.856613 0.643388 Rh\n0.643388 0.356613 0.856613 Rh\n0.856613 0.643388 0.356613 Rh\n",
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"volume": 141.49463295485,
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"formula_full": "Sn4 Rh4",
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"spacegroup": 198
},
{
"id": "jvasp-14892",
"created_at": "2022-09-04T14:36:38.445052Z",
"updated_at": "2022-09-04T14:36:38.445072Z",
"structure_string": "Cr4 Si4\n1.0\n4.609790 -0.000000 -0.000000\n-0.000000 4.609790 0.000000\n0.000000 -0.000000 4.609790\nCr Si\n4 4\ndirect\n0.862868 0.637132 0.362868 Cr\n0.637132 0.362868 0.862868 Cr\n0.362868 0.862868 0.637132 Cr\n0.137132 0.137132 0.137132 Cr\n0.152795 0.347205 0.652795 Si\n0.347205 0.652795 0.152795 Si\n0.652795 0.152795 0.347205 Si\n0.847205 0.847205 0.847205 Si\n",
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"density": 5.429982200990382,
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"volume": 97.95879278689375,
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"formula_full": "Cr4 Si4",
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"spacegroup": 198
},
{
"id": "jvasp-14893",
"created_at": "2022-09-04T14:36:38.579355Z",
"updated_at": "2022-09-04T14:36:38.579382Z",
"structure_string": "Co4 Si4\n1.0\n4.451883 0.000000 0.000000\n0.000000 4.451883 0.000000\n-0.000000 -0.000000 4.451883\nCo Si\n4 4\ndirect\n0.855546 0.644453 0.355547 Co\n0.644453 0.355547 0.855546 Co\n0.355547 0.855546 0.644453 Co\n0.144453 0.144453 0.144453 Co\n0.157613 0.342386 0.657613 Si\n0.342386 0.657613 0.157613 Si\n0.657613 0.157613 0.342386 Si\n0.842386 0.842386 0.842386 Si\n",
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"volume": 88.23303666412465,
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{
"id": "jvasp-27529",
"created_at": "2022-09-04T14:36:41.185757Z",
"updated_at": "2022-09-04T14:36:41.185784Z",
"structure_string": "Na4 Al4 Si4 O16\n1.0\n7.390373 0.000000 0.000000\n0.000000 7.390373 -0.000000\n-0.000000 -0.000000 7.390373\nNa Al Si O\n4 4 4 16\ndirect\n0.230396 0.269604 0.730396 Na\n0.269604 0.730396 0.230396 Na\n0.730396 0.230396 0.269604 Na\n0.769604 0.769604 0.769604 Na\n0.714680 0.785319 0.214681 Al\n0.785319 0.214681 0.714680 Al\n0.214681 0.714680 0.785319 Al\n0.285319 0.285319 0.285319 Al\n0.022975 0.022975 0.022975 Si\n0.477025 0.977025 0.522975 Si\n0.522975 0.477025 0.977025 Si\n0.977025 0.522975 0.477025 Si\n0.350642 0.850642 0.649358 O\n0.149358 0.149358 0.149358 O\n0.628291 0.666430 0.025848 O\n0.025848 0.628291 0.666430 O\n0.666430 0.025848 0.628291 O\n0.833570 0.974152 0.128291 O\n0.525848 0.871709 0.333570 O\n0.371709 0.166430 0.474152 O\n0.474152 0.371709 0.166430 O\n0.974152 0.128291 0.833570 O\n0.166430 0.474152 0.371709 O\n0.128291 0.833570 0.974152 O\n0.649358 0.350642 0.850642 O\n0.871709 0.333570 0.525848 O\n0.333570 0.525848 0.871709 O\n0.850642 0.649358 0.350642 O\n",
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"formula_full": "Na4 Al4 Si4 O16",
"formula_reduced": "NaAlSiO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 1.827027771428572,
"spacegroup": 198
}
]
}