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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=density&page=922",
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"results": [
{
"id": "jvasp-115480",
"created_at": "2022-09-04T14:38:50.298475Z",
"updated_at": "2022-09-04T14:38:50.298491Z",
"structure_string": "B2 Br2\n1.0\n5.438144 0.415854 0.553375\n-0.653265 -6.085429 -0.024879\n-1.564682 -0.667219 -2.721929\nB Br\n2 2\ndirect\n0.167533 0.047864 -0.037032 B\n0.361903 0.842185 0.260019 B\n0.533445 0.675213 0.014878 Br\n-0.004033 0.214822 0.208097 Br\n",
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{
"id": "jvasp-1082",
"created_at": "2022-09-04T14:37:18.594212Z",
"updated_at": "2022-09-04T14:37:18.594231Z",
"structure_string": "Mg2 Sn1\n1.0\n4.147653 0.000000 2.394649\n1.382551 3.910445 2.394649\n0.000000 0.000000 4.789297\nMg Sn\n2 1\ndirect\n0.250000 0.250000 0.250001 Mg\n0.749999 0.749999 0.750002 Mg\n0.000000 0.000000 0.000000 Sn\n",
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{
"id": "jvasp-14507",
"created_at": "2022-09-04T14:38:13.009300Z",
"updated_at": "2022-09-04T14:38:13.009329Z",
"structure_string": "Mg2 Sn1\n1.0\n4.147653 -0.000000 2.394649\n1.382551 3.910445 2.394649\n-0.000000 -0.000000 4.789297\nMg Sn\n2 1\ndirect\n0.250000 0.250000 0.250001 Mg\n0.749999 0.749999 0.750002 Mg\n0.000000 0.000000 0.000000 Sn\n",
"nsites": 3,
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"elements": [
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"volume": 77.67841712569043,
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"formula_full": "Mg2 Sn1",
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"spacegroup": 225
},
{
"id": "jvasp-74836",
"created_at": "2022-09-04T14:35:52.338055Z",
"updated_at": "2022-09-04T14:35:52.338074Z",
"structure_string": "K2 Be1 Rh1\n1.0\n-2.498964 2.498964 3.533302\n2.498964 -2.498964 3.533302\n2.498964 2.498964 -3.533302\nK Be Rh\n2 1 1\ndirect\n0.000000 0.000000 0.000000 K\n0.250000 0.749999 0.499999 K\n0.749999 0.250000 0.499999 Be\n0.500000 0.500000 0.000000 Rh\n",
"nsites": 4,
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"elements": [
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"Rh"
],
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"density": 3.5768694642860837,
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"volume": 88.2593551516756,
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"formula_full": "K2 Be1 Rh1",
"formula_reduced": "K2BeRh",
"formula_anonymous": "ABC2",
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"spacegroup": 216
},
{
"id": "jvasp-55182",
"created_at": "2022-09-04T14:37:53.010182Z",
"updated_at": "2022-09-04T14:37:53.010213Z",
"structure_string": "Na4 Cu4 P4 O16\n1.0\n4.822789 0.000000 0.000000\n0.000000 7.162010 0.000000\n0.000000 0.000000 9.757818\nNa Cu P O\n4 4 4 16\ndirect\n0.987213 0.726945 0.811078 Na\n0.512787 0.273055 0.311078 Na\n0.012787 0.226945 0.688922 Na\n0.487213 0.773055 0.188922 Na\n0.494072 0.438582 0.955279 Cu\n-0.005928 0.061418 0.044721 Cu\n0.505928 0.938582 0.544721 Cu\n0.005928 0.561418 0.455279 Cu\n0.432950 0.022108 0.866866 P\n0.567050 0.522108 0.633135 P\n0.932950 0.477892 0.133135 P\n0.067050 0.977892 0.366865 P\n0.707304 0.388334 0.527423 O\n0.701289 0.718392 0.604891 O\n0.329346 0.960845 0.723250 O\n0.170654 0.039155 0.223250 O\n0.247921 0.520104 0.624451 O\n0.252079 0.479896 0.124451 O\n0.201289 0.781608 0.395109 O\n0.747921 0.979896 0.375549 O\n0.670654 0.460845 0.776750 O\n0.207304 0.111666 0.472577 O\n0.792696 0.611666 0.027423 O\n0.752079 0.020104 0.875549 O\n0.798712 0.281608 0.104891 O\n0.829346 0.539155 0.276750 O\n0.298711 0.218392 0.895109 O\n0.292696 0.888334 0.972577 O\n",
"nsites": 28,
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"elements": [
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"P",
"O"
],
"chemical_system": "Cu-Na-O-P",
"density": 3.5769830594649505,
"density_atomic": 0.08307534109011493,
"volume": 337.04345516472034,
"volume_molar": 7.249011175852481,
"formula_full": "Na4 Cu4 P4 O16",
"formula_reduced": "NaCuPO4",
"formula_anonymous": "ABCD4",
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"spacegroup": 19
},
{
"id": "jvasp-59889",
"created_at": "2022-09-04T14:37:16.987688Z",
"updated_at": "2022-09-04T14:37:16.987731Z",
"structure_string": "Li2 Mn4 S8\n1.0\n6.873765 -0.010862 -0.009338\n-3.427665 5.927331 -0.002016\n-3.432447 -1.943318 5.596811\nLi Mn S\n2 4 8\ndirect\n0.000003 0.999997 0.000004 Li\n0.500005 0.500007 0.500013 Li\n0.000001 0.999999 0.500004 Mn\n0.500003 0.000002 0.000007 Mn\n0.500003 0.000000 0.500005 Mn\n0.000001 0.499998 0.500004 Mn\n0.014772 0.757179 0.272374 S\n0.016613 0.756564 0.743432 S\n0.485230 0.227634 0.742821 S\n0.516612 0.243426 0.256570 S\n0.514773 0.772365 0.257187 S\n0.983391 0.243435 0.256576 S\n0.483393 0.756577 0.743443 S\n0.985231 0.242819 0.727635 S\n",
"nsites": 14,
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"elements": [
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],
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"density": 3.576983102577644,
"density_atomic": 0.0615266283075083,
"volume": 227.54375438921187,
"volume_molar": 9.787860842790728,
"formula_full": "Li2 Mn4 S8",
"formula_reduced": "Li(MnS2)2",
"formula_anonymous": "AB2C4",
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"spacegroup": 74
},
{
"id": "jvasp-101383",
"created_at": "2022-09-04T14:37:07.523732Z",
"updated_at": "2022-09-04T14:37:07.523754Z",
"structure_string": "K1 Rb2 In1 Br6\n1.0\n6.999701 -0.000000 4.041279\n2.333234 6.599382 4.041279\n0.000000 0.000000 8.082559\nK Rb In Br\n1 2 1 6\ndirect\n0.500000 0.500000 0.500000 K\n0.750000 0.750000 0.750001 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 In\n0.765507 0.234493 0.234494 Br\n0.234493 0.234493 0.765507 Br\n0.234493 0.765507 0.765507 Br\n0.234493 0.765507 0.234494 Br\n0.765507 0.234493 0.765507 Br\n0.765506 0.765507 0.234494 Br\n",
"nsites": 10,
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"elements": [
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"Rb",
"In",
"Br"
],
"chemical_system": "Br-In-K-Rb",
"density": 3.5770294222119943,
"density_atomic": 0.026783563564028636,
"volume": 373.3633120213468,
"volume_molar": 22.484464196123504,
"formula_full": "K1 Rb2 In1 Br6",
"formula_reduced": "KRb2InBr6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-106072",
"created_at": "2022-09-04T14:36:17.730255Z",
"updated_at": "2022-09-04T14:36:17.730280Z",
"structure_string": "Ga2 S3\n1.0\n4.875664 -0.007327 -4.208594\n-0.443295 3.496787 -5.390769\n-0.041496 0.007327 6.440702\nGa S\n2 3\ndirect\n0.833054 0.841195 0.991862 Ga\n0.150668 0.158807 0.991862 Ga\n0.101843 0.338075 0.763768 S\n0.425692 0.661926 0.763768 S\n0.738737 -0.000000 0.738737 S\n",
"nsites": 5,
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"density": 3.577303887639528,
"density_atomic": 0.04571154332248054,
"volume": 109.38156178028326,
"volume_molar": 13.174223231790041,
"formula_full": "Ga2 S3",
"formula_reduced": "Ga2S3",
"formula_anonymous": "A2B3",
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"spacegroup": 44
},
{
"id": "jvasp-15694",
"created_at": "2022-09-04T14:36:56.526935Z",
"updated_at": "2022-09-04T14:36:56.526959Z",
"structure_string": "Ca2 Ga2\n1.0\n3.797821 0.000000 -1.391130\n0.000000 4.410162 0.000000\n0.066543 -0.000000 6.061305\nCa Ga\n2 2\ndirect\n0.645568 0.250000 0.291136 Ca\n0.354431 0.750000 0.708863 Ca\n0.929919 0.250000 0.859839 Ga\n0.070080 0.750000 0.140160 Ga\n",
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},
{
"id": "jvasp-66148",
"created_at": "2022-09-04T14:36:03.746243Z",
"updated_at": "2022-09-04T14:36:03.746276Z",
"structure_string": "Ba1 Mg1 Cd1\n1.0\n0.000000 3.991592 3.991592\n3.991592 0.000000 3.991592\n3.991592 3.991592 -0.000000\nBa Mg Cd\n1 1 1\ndirect\n0.750000 0.750000 0.750000 Ba\n0.500000 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 Cd\n",
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"volume": 127.19452747833787,
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{
"id": "jvasp-92580",
"created_at": "2022-09-04T14:36:12.255543Z",
"updated_at": "2022-09-04T14:36:12.255563Z",
"structure_string": "Sn1 C1 Cl3\n1.0\n4.805276 0.358761 0.187446\n0.193766 4.814752 0.187446\n0.346662 0.358761 4.796419\nSn C Cl\n1 1 3\ndirect\n0.509168 0.509166 0.509168 Sn\n0.931999 0.931997 0.932000 C\n-0.004512 0.536858 -0.004512 Cl\n-0.004512 -0.004512 0.536858 Cl\n0.536858 -0.004512 -0.004512 Cl\n",
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"formula_full": "Sn1 C1 Cl3",
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},
{
"id": "jvasp-19977",
"created_at": "2022-09-04T14:37:36.413870Z",
"updated_at": "2022-09-04T14:37:36.413890Z",
"structure_string": "Nd1 Mg3\n1.0\n4.523792 0.000000 2.611812\n1.507931 4.265072 2.611812\n0.000000 0.000000 5.223625\nNd Mg\n1 3\ndirect\n0.000000 0.000000 0.000000 Nd\n0.750000 0.750000 0.750000 Mg\n0.500000 0.500000 0.500000 Mg\n0.250000 0.250000 0.250000 Mg\n",
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}