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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=spacegroup&page=572",
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"results": [
{
"id": "jvasp-97590",
"created_at": "2022-09-04T14:36:04.394752Z",
"updated_at": "2022-09-04T14:36:04.394778Z",
"structure_string": "Ce4 S8\n1.0\n4.044636 0.000000 0.000000\n0.000000 8.062678 -0.016767\n0.000000 -0.012562 8.030326\nCe S\n4 8\ndirect\n0.717955 0.722791 0.630154 Ce\n0.217954 0.277209 0.869847 Ce\n0.282046 0.277209 0.369847 Ce\n0.782047 0.722791 0.130153 Ce\n0.164814 0.998062 0.609549 S\n0.664814 0.001939 0.890451 S\n0.835187 0.001939 0.390451 S\n0.335186 0.998062 0.109549 S\n0.760543 0.364447 0.124576 S\n0.260542 0.635553 0.375423 S\n0.239458 0.635553 0.875424 S\n0.739459 0.364447 0.624577 S\n",
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{
"id": "jvasp-98509",
"created_at": "2022-09-04T14:36:04.338846Z",
"updated_at": "2022-09-04T14:36:04.338874Z",
"structure_string": "La8 Si4 O20\n1.0\n6.680385 0.000000 -2.241346\n0.000000 7.485735 0.000000\n0.026095 0.000000 9.363329\nLa Si O\n8 4 20\ndirect\n0.592772 0.847697 0.888603 La\n0.407228 0.152304 0.111397 La\n0.092772 0.652304 0.888603 La\n0.764861 0.376069 0.486042 La\n0.735139 0.876069 0.513957 La\n0.235139 0.623932 0.513957 La\n0.264861 0.123932 0.486042 La\n0.907228 0.347697 0.111397 La\n0.542661 0.418958 0.798758 Si\n0.957339 0.918958 0.201241 Si\n0.457339 0.581042 0.201241 Si\n0.042661 0.081042 0.798758 Si\n0.249585 0.962428 0.863284 O\n0.250415 0.462428 0.136716 O\n0.750415 0.037572 0.136716 O\n0.749585 0.537572 0.863284 O\n0.453657 0.874152 0.613894 O\n0.134042 0.068255 0.205838 O\n0.365958 0.568255 0.794162 O\n0.494224 0.365501 0.619197 O\n0.005775 0.865501 0.380803 O\n0.505776 0.634499 0.380802 O\n0.994225 0.134499 0.619197 O\n0.557287 0.247410 0.907153 O\n0.942713 0.747411 0.092846 O\n0.442713 0.752590 0.092846 O\n0.057287 0.252590 0.907154 O\n0.953657 0.625849 0.613894 O\n0.546343 0.125849 0.386106 O\n0.046343 0.374152 0.386106 O\n0.634042 0.431746 0.205838 O\n0.865958 0.931746 0.794161 O\n",
"nsites": 32,
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"elements": [
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"Si",
"O"
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"density": 5.468955168304684,
"density_atomic": 0.06827753868019495,
"volume": 468.67535969456577,
"volume_molar": 8.820090583825955,
"formula_full": "La8 Si4 O20",
"formula_reduced": "La2SiO5",
"formula_anonymous": "AB2C5",
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"spacegroup": 14
},
{
"id": "jvasp-97546",
"created_at": "2022-09-04T14:36:04.419386Z",
"updated_at": "2022-09-04T14:36:04.419405Z",
"structure_string": "Cu2 H40 Se4 N4 O28\n1.0\n6.177943 0.000000 -1.728858\n0.000000 12.439054 0.000000\n-0.041080 0.000000 9.195583\nCu H Se N O\n2 40 4 4 28\ndirect\n0.500000 0.500000 -0.000000 Cu\n0.500000 0.000000 0.500000 Cu\n0.384803 0.629953 0.730076 H\n0.615196 0.129954 0.769923 H\n0.884277 0.419092 0.682315 H\n0.115723 0.919092 0.817685 H\n0.115723 0.580908 0.317685 H\n0.884277 0.080908 0.182315 H\n0.896947 0.293091 0.755963 H\n0.103052 0.793091 0.744036 H\n0.103052 0.706909 0.244036 H\n0.896947 0.206909 0.255963 H\n0.705878 0.323803 0.592836 H\n0.294121 0.823803 0.907163 H\n0.294121 0.676197 0.407163 H\n0.705878 0.176197 0.092837 H\n0.037002 0.812453 0.908354 H\n0.037002 0.687546 0.408354 H\n0.962997 0.187547 0.091645 H\n0.384803 0.870046 0.230077 H\n0.615196 0.370046 0.269923 H\n0.962997 0.312453 0.591645 H\n0.176110 0.593806 0.778316 H\n0.181305 0.449107 0.098672 H\n0.818694 0.949107 0.401328 H\n0.818694 0.550893 0.901327 H\n0.823889 0.093806 0.721683 H\n0.181305 0.050893 0.598672 H\n0.188384 0.359809 0.979056 H\n0.811616 0.859809 0.520943 H\n0.188384 0.140191 0.479056 H\n0.509281 0.317430 0.871615 H\n0.811616 0.640191 0.020944 H\n0.490718 0.682570 0.128384 H\n0.509281 0.182570 0.371615 H\n0.442190 0.409291 0.742774 H\n0.557809 0.909291 0.757225 H\n0.557809 0.590708 0.257226 H\n0.442190 0.090709 0.242774 H\n0.823889 0.406194 0.221683 H\n0.176110 0.906194 0.278317 H\n0.490718 0.817430 0.628384 H\n0.247325 0.130978 0.925982 Se\n0.247325 0.369022 0.425982 Se\n0.752674 0.869022 0.074018 Se\n0.752674 0.630978 0.574018 Se\n0.136863 0.662522 0.342623 N\n0.863136 0.162522 0.157376 N\n0.863136 0.337477 0.657376 N\n0.136863 0.837477 0.842623 N\n0.323992 0.876907 0.317311 O\n0.676007 0.376907 0.182689 O\n0.541132 0.107561 0.345530 O\n0.458867 0.607561 0.154470 O\n0.458867 0.892439 0.654470 O\n0.541132 0.392439 0.845529 O\n0.211113 0.061474 0.498909 O\n0.788887 0.561474 0.001090 O\n0.788887 0.938526 0.501090 O\n0.211113 0.438526 -0.001091 O\n0.290611 0.050662 0.076170 O\n0.709388 0.550662 0.423830 O\n0.709388 0.949338 0.923829 O\n0.290611 0.449338 0.576170 O\n0.915256 0.733960 0.554189 O\n0.915256 0.766039 0.054189 O\n0.084743 0.266039 0.445810 O\n0.117282 0.061074 0.770887 O\n0.882717 0.561074 0.729112 O\n0.882717 0.938926 0.229112 O\n0.117282 0.438926 0.270887 O\n0.479910 0.183784 0.906529 O\n0.520090 0.683784 0.593470 O\n0.520090 0.816215 0.093471 O\n0.479910 0.316216 0.406529 O\n0.323992 0.623093 0.817310 O\n0.084743 0.233960 0.945810 O\n0.676007 0.123093 0.682689 O\n",
"nsites": 78,
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"elements": [
"Cu",
"H",
"Se",
"N",
"O"
],
"chemical_system": "Cu-H-N-O-Se",
"density": 2.3228075153812164,
"density_atomic": 0.1105165609963131,
"volume": 705.7765758979971,
"volume_molar": 5.4490844681648225,
"formula_full": "Cu2 H40 Se4 N4 O28",
"formula_reduced": "CuH20Se2(NO7)2",
"formula_anonymous": "AB2C2D14E20",
"energy_above_hull": 3.2332808380341884,
"spacegroup": 14
},
{
"id": "jvasp-97789",
"created_at": "2022-09-04T14:36:04.460447Z",
"updated_at": "2022-09-04T14:36:04.460476Z",
"structure_string": "La4 Mn2 Co2 O12\n1.0\n5.481237 0.000000 0.000000\n0.000000 5.513091 0.002616\n0.000000 0.007247 7.759563\nLa Mn Co O\n4 2 2 12\ndirect\n0.973919 0.004634 0.749810 La\n0.026082 0.995367 0.250190 La\n0.526083 0.504634 0.249811 La\n0.473918 0.495366 0.750189 La\n0.500000 0.000000 0.000000 Mn\n0.000000 0.500001 0.500000 Mn\n0.000000 0.499999 0.000000 Co\n0.500000 0.999999 0.500000 Co\n0.493096 0.064413 0.244107 O\n0.993097 0.435587 0.255893 O\n0.772868 0.783963 0.034213 O\n0.717084 0.271348 0.965722 O\n0.217084 0.228652 0.534278 O\n0.282917 0.728651 0.034278 O\n0.782917 0.771349 0.465723 O\n0.727134 0.283962 0.534212 O\n0.227133 0.216038 0.965787 O\n0.272867 0.716038 0.465788 O\n0.506903 0.935586 0.755893 O\n0.006902 0.564414 0.744107 O\n",
"nsites": 20,
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"elements": [
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"Mn",
"Co",
"O"
],
"chemical_system": "Co-La-Mn-O",
"density": 6.907198882965291,
"density_atomic": 0.08529413767753852,
"volume": 234.4827035547465,
"volume_molar": 7.060439232960179,
"formula_full": "La4 Mn2 Co2 O12",
"formula_reduced": "La2MnCoO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.8131059141379318,
"spacegroup": 14
},
{
"id": "jvasp-95286",
"created_at": "2022-09-04T14:36:04.862083Z",
"updated_at": "2022-09-04T14:36:04.862116Z",
"structure_string": "Sr4 Li4 B4 O12\n1.0\n6.083266 0.000000 -2.194235\n0.000000 6.733810 0.000000\n-0.017395 0.000000 6.919157\nSr Li B O\n4 4 4 12\ndirect\n0.197834 0.124411 0.864874 Sr\n0.802166 0.875589 0.135126 Sr\n0.697835 0.375589 0.364874 Sr\n0.302165 0.624411 0.635126 Sr\n0.601621 0.090925 0.694689 Li\n0.898379 0.590925 0.805311 Li\n0.398379 0.909075 0.305311 Li\n0.101621 0.409075 0.194689 Li\n0.189910 0.135737 0.426076 B\n0.689910 0.364263 0.926075 B\n0.810090 0.864263 0.573924 B\n0.310090 0.635737 0.073924 B\n0.840330 0.886339 0.782700 O\n0.392559 0.801134 0.007256 O\n0.159669 0.113661 0.217300 O\n0.340330 0.613660 0.282700 O\n0.804217 0.509916 0.062395 O\n0.304216 0.990084 0.562395 O\n0.195783 0.490084 0.937605 O\n0.892559 0.698865 0.507256 O\n0.107441 0.301135 0.492744 O\n0.659669 0.386339 0.717300 O\n0.695783 0.009916 0.437604 O\n0.607441 0.198865 0.992744 O\n",
"nsites": 24,
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"elements": [
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"density": 3.5974372283474954,
"density_atomic": 0.08475286609208146,
"volume": 283.1762641976581,
"volume_molar": 7.105530512038523,
"formula_full": "Sr4 Li4 B4 O12",
"formula_reduced": "SrLiBO3",
"formula_anonymous": "ABCD3",
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"spacegroup": 14
},
{
"id": "jvasp-98052",
"created_at": "2022-09-04T14:36:04.997854Z",
"updated_at": "2022-09-04T14:36:04.997889Z",
"structure_string": "Ca8 B4 Cl4 O12\n1.0\n3.886988 0.000000 -0.541356\n0.000000 8.724066 0.000000\n0.044361 0.000000 12.303404\nCa B Cl O\n8 4 4 12\ndirect\n0.446507 0.621235 0.116772 Ca\n0.553493 0.378766 0.883227 Ca\n0.434345 0.115929 0.138033 Ca\n0.946507 0.878766 0.616772 Ca\n0.065655 0.615930 0.361966 Ca\n0.934345 0.384071 0.638033 Ca\n0.565655 0.884071 0.861966 Ca\n0.053493 0.121235 0.383228 Ca\n0.134101 0.634191 0.844352 B\n0.634101 0.865810 0.344352 B\n0.865899 0.365810 0.155647 B\n0.365899 0.134190 0.655647 B\n0.395293 0.626847 0.588114 Cl\n0.604708 0.373153 0.411886 Cl\n0.104707 0.126847 0.911886 Cl\n0.895293 0.873154 0.088114 Cl\n0.010255 0.490280 0.811624 O\n0.489745 0.990281 0.688375 O\n0.018206 0.770825 0.795171 O\n0.411804 0.641185 0.927805 O\n0.510255 0.009720 0.311624 O\n0.518207 0.729175 0.295171 O\n0.989745 0.509720 0.188375 O\n0.481793 0.270825 0.704828 O\n0.588196 0.358815 0.072194 O\n0.088196 0.141185 0.572194 O\n0.911804 0.858815 0.427805 O\n0.981794 0.229175 0.204828 O\n",
"nsites": 28,
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"elements": [
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],
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"density": 2.7753990119268135,
"density_atomic": 0.06707838095184387,
"volume": 417.4221202521485,
"volume_molar": 8.977767016057447,
"formula_full": "Ca8 B4 Cl4 O12",
"formula_reduced": "Ca2BClO3",
"formula_anonymous": "ABC2D3",
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"spacegroup": 14
},
{
"id": "jvasp-95088",
"created_at": "2022-09-04T14:36:05.020297Z",
"updated_at": "2022-09-04T14:36:05.020322Z",
"structure_string": "Al4 Se4 Br12 N4\n1.0\n7.661098 0.038533 0.000000\n-3.301317 8.855755 0.000000\n0.000000 0.000000 9.873732\nAl Se Br N\n4 4 12 4\ndirect\n0.386239 0.158777 0.128591 Al\n0.113761 0.341223 0.628591 Al\n0.886239 0.658777 0.371409 Al\n0.613761 0.841223 0.871409 Al\n0.469806 0.631589 0.464425 Se\n0.530193 0.368411 0.535575 Se\n0.969807 0.131588 0.035575 Se\n0.030192 0.868412 0.964425 Se\n0.118485 0.712763 0.533694 Br\n0.685582 0.624936 0.828879 Br\n0.314418 0.375065 0.171121 Br\n0.381515 0.787238 0.033694 Br\n0.429042 0.046419 0.324235 Br\n0.070958 0.453581 0.824235 Br\n0.929042 0.546419 0.175765 Br\n0.814418 0.875065 0.328879 Br\n0.618485 0.212763 0.966306 Br\n0.570958 0.953581 0.675764 Br\n0.185582 0.124935 0.671121 Br\n0.881515 0.287237 0.466306 Br\n0.653530 0.549248 0.453589 N\n0.846470 0.950752 0.953589 N\n0.346470 0.450752 0.546411 N\n0.153530 0.049248 0.046411 N\n",
"nsites": 24,
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"elements": [
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],
"chemical_system": "Al-Br-N-Se",
"density": 3.559508440951433,
"density_atomic": 0.03576018459866326,
"volume": 671.1374750816342,
"volume_molar": 16.84035143438581,
"formula_full": "Al4 Se4 Br12 N4",
"formula_reduced": "AlSeBr3N",
"formula_anonymous": "ABCD3",
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"spacegroup": 14
},
{
"id": "jvasp-97395",
"created_at": "2022-09-04T14:36:05.251799Z",
"updated_at": "2022-09-04T14:36:05.251817Z",
"structure_string": "K20 Sn4 Sb12\n1.0\n8.664965 0.000000 0.000000\n0.000000 9.861907 -0.026974\n0.000000 -0.016020 16.055330\nK Sn Sb\n20 4 12\ndirect\n0.162698 0.576218 0.258550 K\n0.503247 0.306584 0.242211 K\n0.003246 0.193416 0.257790 K\n0.996754 0.806584 0.742211 K\n0.980809 0.830242 0.421585 K\n0.480809 0.669758 0.078416 K\n0.019192 0.169758 0.578416 K\n0.519192 0.330242 0.921584 K\n0.493780 0.696347 0.411262 K\n0.993780 0.803653 0.088739 K\n0.496754 0.693416 0.757790 K\n0.006220 0.196347 0.911262 K\n0.324400 0.079301 0.078762 K\n0.824401 0.420699 0.421239 K\n0.675600 0.920699 0.921239 K\n0.175600 0.579301 0.578762 K\n0.337302 0.076218 0.758550 K\n0.506221 0.303653 0.588738 K\n0.837303 0.423782 0.741450 K\n0.662698 0.923782 0.241450 K\n0.644242 0.925664 0.588314 Sn\n0.144242 0.574337 0.911686 Sn\n0.355759 0.074337 0.411686 Sn\n0.855759 0.425664 0.088314 Sn\n0.737328 0.081895 0.731303 Sb\n0.260722 0.848213 0.918872 Sb\n0.760722 0.651787 0.581129 Sb\n0.739279 0.151787 0.081129 Sb\n0.239279 0.348213 0.418871 Sb\n0.195337 0.417697 0.065881 Sb\n0.695338 0.082303 0.434119 Sb\n0.804663 0.582303 0.934120 Sb\n0.304663 0.917697 0.565881 Sb\n0.262673 0.918106 0.268697 Sb\n0.762673 0.581895 0.231303 Sb\n0.237328 0.418106 0.768697 Sb\n",
"nsites": 36,
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"elements": [
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],
"chemical_system": "K-Sb-Sn",
"density": 3.2895838352960225,
"density_atomic": 0.02623957122355413,
"volume": 1371.9736383376705,
"volume_molar": 22.950606580774398,
"formula_full": "K20 Sn4 Sb12",
"formula_reduced": "K5SnSb3",
"formula_anonymous": "AB3C5",
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"spacegroup": 14
},
{
"id": "jvasp-88073",
"created_at": "2022-09-04T14:36:05.350935Z",
"updated_at": "2022-09-04T14:36:05.350958Z",
"structure_string": "Pr4 S8\n1.0\n4.076402 0.000000 0.000000\n0.000000 8.106895 0.000434\n0.000000 0.011901 8.190416\nPr S\n4 8\ndirect\n0.212522 0.129530 0.275618 Pr\n0.287478 0.629530 0.275618 Pr\n0.787478 0.870469 0.724382 Pr\n0.712522 0.370469 0.724382 Pr\n0.740135 0.374987 0.366789 S\n0.842265 0.607739 0.002232 S\n0.240135 0.125012 0.633211 S\n0.259864 0.625012 0.633211 S\n0.759864 0.874987 0.366789 S\n0.342265 0.892260 0.997768 S\n0.657734 0.107739 0.002232 S\n0.157735 0.392260 0.997768 S\n",
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"elements": [
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"density": 5.031589747251431,
"density_atomic": 0.04433469908818059,
"volume": 270.66835338460976,
"volume_molar": 13.583357694662855,
"formula_full": "Pr4 S8",
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"spacegroup": 14
},
{
"id": "jvasp-48806",
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