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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-energy_above_hull&page=4179",
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{
"id": "jvasp-22700",
"created_at": "2022-09-04T14:38:13.160982Z",
"updated_at": "2022-09-04T14:38:13.161015Z",
"structure_string": "Rb2 O1\n1.0\n4.774105 -0.000000 0.000000\n-2.387053 1.378166 3.919433\n2.387053 -4.134496 0.000000\nRb O\n2 1\ndirect\n0.249942 0.749824 0.249941 Rb\n0.750059 0.250175 0.750059 Rb\n0.000000 0.000000 0.000000 O\n",
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{
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"created_at": "2022-09-04T14:36:30.977404Z",
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"structure_string": "Rb4 O2\n1.0\n0.000000 4.766619 -0.069314\n4.798710 0.000000 0.000000\n0.000000 -0.099212 -6.760631\nRb O\n4 2\ndirect\n0.250022 0.749855 -0.000360 Rb\n0.249994 0.750121 0.499958 Rb\n0.750007 0.250121 0.500041 Rb\n0.749979 0.249855 0.000359 Rb\n0.249969 0.250025 0.749986 O\n0.750031 0.750025 0.250013 O\n",
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{
"id": "jvasp-13976",
"created_at": "2022-09-04T14:35:44.895237Z",
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"structure_string": "Li2 Sm2 Al2 F12\n1.0\n2.427577 -4.204686 -0.000000\n2.427577 4.204686 0.000000\n0.000000 0.000000 11.114521\nLi Sm Al F\n2 2 2 12\ndirect\n0.666668 0.333334 0.750000 Li\n0.333334 0.666668 0.250000 Li\n0.000000 0.000000 0.500000 Sm\n0.000000 0.000000 0.000000 Sm\n0.333334 0.666668 0.750000 Al\n0.666668 0.333334 0.250000 Al\n0.643009 0.976232 0.656165 F\n0.643009 0.666778 0.843835 F\n0.333224 0.976232 0.843835 F\n0.666778 0.643009 0.156165 F\n0.976232 0.333224 0.156165 F\n0.356993 0.023769 0.156165 F\n0.333224 0.356993 0.656165 F\n0.023769 0.356993 0.843835 F\n0.666778 0.023769 0.343835 F\n0.356993 0.333224 0.343835 F\n0.023769 0.666778 0.656165 F\n0.976232 0.643009 0.343835 F\n",
"nsites": 18,
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"elements": [
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"chemical_system": "Al-F-Li-Sm",
"density": 4.365818176131037,
"density_atomic": 0.07933141044032671,
"volume": 226.8962558473563,
"volume_molar": 7.591117725720848,
"formula_full": "Li2 Sm2 Al2 F12",
"formula_reduced": "LiSmAlF6",
"formula_anonymous": "ABCD6",
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"spacegroup": 182
},
{
"id": "jvasp-64776",
"created_at": "2022-09-04T14:36:17.303055Z",
"updated_at": "2022-09-04T14:36:17.303082Z",
"structure_string": "K1 Ba1 Hg1\n1.0\n0.000000 4.082941 4.082941\n4.082941 -0.000000 4.082941\n4.082941 4.082941 0.000000\nK Ba Hg\n1 1 1\ndirect\n0.500000 0.500000 0.500000 K\n0.750000 0.750000 0.750000 Ba\n0.000000 0.000000 0.000000 Hg\n",
"nsites": 3,
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"elements": [
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],
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"density": 4.598950806634185,
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"volume": 136.1285781645711,
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"formula_full": "K1 Ba1 Hg1",
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"formula_anonymous": "ABC",
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"spacegroup": 216
},
{
"id": "jvasp-7789",
"created_at": "2022-09-04T14:37:17.011132Z",
"updated_at": "2022-09-04T14:37:17.011167Z",
"structure_string": "Rb2 O1\n1.0\n4.140647 -0.000000 2.390604\n1.380216 3.903840 2.390604\n0.000000 -0.000000 4.781208\nRb O\n2 1\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750001 0.750000 0.749999 Rb\n0.000000 0.000000 0.000000 O\n",
"nsites": 3,
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"elements": [
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"density": 4.016445378454975,
"density_atomic": 0.03881712803744517,
"volume": 77.28547040126287,
"volume_molar": 15.51413271530729,
"formula_full": "Rb2 O1",
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"spacegroup": 225
},
{
"id": "jvasp-82116",
"created_at": "2022-09-04T14:37:07.263499Z",
"updated_at": "2022-09-04T14:37:07.263520Z",
"structure_string": "Ba2 Hg1 Bi1\n1.0\n-6.445594 -4.989164 -11.868528\n-4.551258 -3.351525 -2.113690\n-2.822541 1.536761 -5.107707\nBa Hg Bi\n2 1 1\ndirect\n0.747857 0.004387 0.004388 Ba\n0.252144 -0.004389 -0.004387 Ba\n0.000000 0.000000 0.000000 Hg\n0.500000 -0.000001 0.000000 Bi\n",
"nsites": 4,
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"volume": 150.22382705795133,
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"formula_full": "Ba2 Hg1 Bi1",
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"spacegroup": 71
},
{
"id": "jvasp-11313",
"created_at": "2022-09-04T14:37:04.699542Z",
"updated_at": "2022-09-04T14:37:04.699564Z",
"structure_string": "Mg2 Mn2 F10\n1.0\n5.259973 -0.201846 1.223555\n-1.846780 4.618439 1.161308\n0.380391 -0.688360 7.234075\nMg Mn F\n2 2 10\ndirect\n0.754642 0.466052 0.721403 Mg\n0.242317 0.532817 0.277265 Mg\n-0.001525 -0.000574 0.999342 Mn\n0.498479 -0.000573 0.499336 Mn\n0.598132 0.867032 0.230836 F\n0.398818 0.131844 0.767829 F\n0.377709 0.259009 0.388782 F\n0.108143 0.808179 0.170363 F\n0.179486 0.338745 0.066939 F\n0.842289 0.301741 0.457255 F\n0.817485 0.660118 -0.068267 F\n0.154679 0.697110 0.541415 F\n0.888792 0.190671 0.828334 F\n0.619265 0.739857 0.609881 F\n",
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"density": 3.2773216377512364,
"density_atomic": 0.07929256303704875,
"volume": 176.56132509499818,
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"formula_full": "Mg2 Mn2 F10",
"formula_reduced": "MgMnF5",
"formula_anonymous": "ABC5",
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"spacegroup": 2
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{
"id": "jvasp-40473",
"created_at": "2022-09-04T14:37:43.092919Z",
"updated_at": "2022-09-04T14:37:43.092933Z",
"structure_string": "Ba4 Ca4 I16\n1.0\n9.987249 0.000000 0.000000\n-0.000000 10.429250 0.000000\n0.000000 0.000000 10.248678\nBa Ca I\n4 4 16\ndirect\n0.832929 0.250000 0.750000 Ba\n0.667071 0.250000 0.250000 Ba\n0.332929 0.750000 0.750000 Ba\n0.167071 0.750000 0.250000 Ba\n0.750000 0.730868 0.000000 Ca\n0.750000 0.769132 0.500000 Ca\n0.250000 0.230868 0.500000 Ca\n0.250000 0.269132 0.000000 Ca\n0.201883 0.065120 0.773233 I\n0.201883 0.434880 0.726767 I\n0.298117 0.065120 0.226767 I\n0.298117 0.434880 0.273233 I\n0.453402 0.785621 0.447152 I\n0.453402 0.714379 0.052848 I\n0.546598 0.285621 0.947152 I\n0.798117 0.565120 0.273233 I\n0.701883 0.565120 0.726767 I\n0.701883 0.934880 0.773233 I\n0.046598 0.785621 0.552848 I\n0.798117 0.934880 0.226767 I\n0.953402 0.214379 0.447152 I\n0.953402 0.285621 0.052848 I\n0.546598 0.214379 0.552848 I\n0.046598 0.714379 0.947152 I\n",
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],
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"density": 4.2623328568164,
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"volume": 1067.4973466098234,
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"formula_full": "Ba4 Ca4 I16",
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"formula_anonymous": "ABC4",
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},
{
"id": "jvasp-107664",
"created_at": "2022-09-04T14:36:58.616558Z",
"updated_at": "2022-09-04T14:36:58.616593Z",
"structure_string": "La1 Pr1 Zn2\n1.0\n4.563557 -0.000000 2.634771\n1.521186 4.302563 2.634771\n-0.000000 -0.000000 5.269541\nLa Pr Zn\n1 1 2\ndirect\n0.500001 0.500000 0.499999 La\n0.000000 0.000000 0.000000 Pr\n0.750001 0.750000 0.749999 Zn\n0.250000 0.250000 0.250000 Zn\n",
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"formula_full": "La1 Pr1 Zn2",
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"spacegroup": 225
},
{
"id": "jvasp-61472",
"created_at": "2022-09-04T14:35:44.544519Z",
"updated_at": "2022-09-04T14:35:44.544536Z",
"structure_string": "Ca4 Cd4 Au4\n1.0\n4.336165 0.000000 0.000000\n-0.000000 7.376061 0.000000\n0.000000 0.000000 8.906668\nCa Cd Au\n4 4 4\ndirect\n0.250000 0.047218 0.682313 Ca\n0.750001 0.452782 0.182312 Ca\n0.750001 0.952781 0.317688 Ca\n0.250000 0.547218 0.817688 Ca\n0.250000 0.140806 0.059855 Cd\n0.750001 0.359194 0.559855 Cd\n0.750001 0.859194 0.940145 Cd\n0.250000 0.640806 0.440145 Cd\n0.250000 0.242076 0.369997 Au\n0.750001 0.257924 0.869997 Au\n0.750001 0.757924 0.630003 Au\n0.250000 0.742076 0.130003 Au\n",
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"formula_full": "Ca4 Cd4 Au4",
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{
"id": "jvasp-86250",
"created_at": "2022-09-04T14:35:50.836668Z",
"updated_at": "2022-09-04T14:35:50.836686Z",
"structure_string": "Ca4 Cd4 Au4\n1.0\n4.337940 0.000000 0.000000\n-0.000000 7.374524 0.000000\n0.000000 0.000000 8.905117\nCa Cd Au\n4 4 4\ndirect\n0.250000 0.547178 0.817705 Ca\n0.750000 0.952821 0.317705 Ca\n0.750000 0.452821 0.182295 Ca\n0.250000 0.047178 0.682296 Ca\n0.750000 0.359156 0.559787 Cd\n0.250000 0.640843 0.440213 Cd\n0.250000 0.140843 0.059787 Cd\n0.750000 0.859156 0.940213 Cd\n0.250000 0.742071 0.130035 Au\n0.250000 0.242072 0.369966 Au\n0.750000 0.257928 0.869966 Au\n0.750000 0.757928 0.630035 Au\n",
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{
"id": "jvasp-86852",
"created_at": "2022-09-04T14:36:02.084345Z",
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"structure_string": "Ca4 Cd4 Au4\n1.0\n4.337930 -0.000000 0.000000\n-0.000000 7.374524 0.000000\n0.000000 0.000000 8.905104\nCa Cd Au\n4 4 4\ndirect\n0.250000 0.547178 0.817704 Ca\n0.750000 0.952822 0.317704 Ca\n0.750000 0.452822 0.182296 Ca\n0.250000 0.047178 0.682295 Ca\n0.750000 0.359156 0.559787 Cd\n0.250000 0.640843 0.440212 Cd\n0.250000 0.140843 0.059788 Cd\n0.750000 0.859156 0.940212 Cd\n0.250000 0.742072 0.130034 Au\n0.250000 0.242072 0.369966 Au\n0.750000 0.257927 0.869965 Au\n0.750000 0.757927 0.630034 Au\n",
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}
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