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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-energy_above_hull&page=4508",
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{
"id": "jvasp-109896",
"created_at": "2022-09-04T14:38:02.972727Z",
"updated_at": "2022-09-04T14:38:02.972754Z",
"structure_string": "Rb2 Tl1 Sb1 Br6\n1.0\n7.182185 -0.000000 4.146637\n2.394062 6.771429 4.146637\n-0.000000 -0.000000 8.293273\nRb Tl Sb Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Sb\n0.761142 0.238858 0.238858 Br\n0.238858 0.238858 0.761142 Br\n0.238858 0.761142 0.761142 Br\n0.238858 0.761142 0.238859 Br\n0.761142 0.238858 0.761142 Br\n0.761142 0.761142 0.238859 Br\n",
"nsites": 10,
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"volume": 403.33218447411423,
"volume_molar": 24.289231879414025,
"formula_full": "Rb2 Tl1 Sb1 Br6",
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{
"id": "jvasp-37525",
"created_at": "2022-09-04T14:38:00.379741Z",
"updated_at": "2022-09-04T14:38:00.379759Z",
"structure_string": "Yb1 Er1 Zn2\n1.0\n-0.000000 3.529202 3.529202\n3.529202 0.000000 3.529202\n3.529202 3.529202 -0.000000\nYb Er Zn\n1 1 2\ndirect\n0.750000 0.750000 0.750000 Yb\n0.250001 0.250001 0.250001 Er\n0.000000 0.000000 0.000000 Zn\n0.499999 0.499999 0.499999 Zn\n",
"nsites": 4,
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"elements": [
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{
"id": "jvasp-39041",
"created_at": "2022-09-04T14:38:00.492964Z",
"updated_at": "2022-09-04T14:38:00.492979Z",
"structure_string": "Sm1 Tm1 Zn2\n1.0\n0.000000 3.561296 3.561296\n3.561296 -0.000000 3.561296\n3.561296 3.561296 0.000000\nSm Tm Zn\n1 1 2\ndirect\n0.250000 0.250000 0.250000 Sm\n0.750001 0.750001 0.750001 Tm\n0.000000 0.000000 0.000000 Zn\n0.500001 0.500001 0.500001 Zn\n",
"nsites": 4,
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"elements": [
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"Zn"
],
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"density": 8.274003115378715,
"density_atomic": 0.044279813184102124,
"volume": 90.33461779455132,
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"formula_full": "Sm1 Tm1 Zn2",
"formula_reduced": "SmTmZn2",
"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-38471",
"created_at": "2022-09-04T14:37:57.714845Z",
"updated_at": "2022-09-04T14:37:57.714869Z",
"structure_string": "Pr1 Ho1 Zn2\n1.0\n-0.000000 3.618881 3.618881\n3.618881 -0.000000 3.618881\n3.618881 3.618881 -0.000000\nPr Ho Zn\n1 1 2\ndirect\n0.750000 0.750000 0.750000 Pr\n0.249999 0.249999 0.249999 Ho\n0.000000 0.000000 0.000000 Zn\n0.500000 0.500000 0.500000 Zn\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"Ho",
"Zn"
],
"chemical_system": "Ho-Pr-Zn",
"density": 7.649544877746452,
"density_atomic": 0.04219947893500301,
"volume": 94.78790025253458,
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"formula_full": "Pr1 Ho1 Zn2",
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"spacegroup": 225
},
{
"id": "jvasp-37249",
"created_at": "2022-09-04T14:38:02.571724Z",
"updated_at": "2022-09-04T14:38:02.571746Z",
"structure_string": "Sm1 Ho1 Zn2\n1.0\n0.000000 3.574451 3.574451\n3.574451 -0.000000 3.574451\n3.574451 3.574451 -0.000000\nSm Ho Zn\n1 1 2\ndirect\n0.750000 0.750000 0.750000 Sm\n0.250001 0.250001 0.250001 Ho\n0.000000 0.000000 0.000000 Zn\n0.500000 0.500000 0.500000 Zn\n",
"nsites": 4,
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"elements": [
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"Ho",
"Zn"
],
"chemical_system": "Ho-Sm-Zn",
"density": 8.11019657749365,
"density_atomic": 0.0437927231644685,
"volume": 91.3393758359705,
"volume_molar": 13.751464455368925,
"formula_full": "Sm1 Ho1 Zn2",
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"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-36961",
"created_at": "2022-09-04T14:38:02.575399Z",
"updated_at": "2022-09-04T14:38:02.575422Z",
"structure_string": "K2 Ca2 Br6\n1.0\n0.000000 4.237788 0.002229\n10.722316 0.000000 0.000000\n0.000000 -2.114511 -6.971722\nK Ca Br\n2 2 6\ndirect\n0.747914 0.750000 0.495575 K\n0.252087 0.250000 0.504424 K\n0.000000 0.500000 0.000000 Ca\n0.000000 0.000000 0.000000 Ca\n0.636360 0.443633 0.272787 Br\n0.363641 0.943633 0.727212 Br\n0.636360 0.056367 0.272787 Br\n0.363641 0.556367 0.727212 Br\n0.071128 0.750000 0.141995 Br\n0.928873 0.250000 0.858005 Br\n",
"nsites": 10,
"nelements": 3,
"elements": [
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"Ca",
"Br"
],
"chemical_system": "Br-Ca-K",
"density": 3.343636645958975,
"density_atomic": 0.03157194939296574,
"volume": 316.73685636364314,
"volume_molar": 19.074339329017608,
"formula_full": "K2 Ca2 Br6",
"formula_reduced": "KCaBr3",
"formula_anonymous": "ABC3",
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"spacegroup": 63
},
{
"id": "jvasp-40053",
"created_at": "2022-09-04T14:37:53.129934Z",
"updated_at": "2022-09-04T14:37:53.129958Z",
"structure_string": "Yb2 Cd1 In1\n1.0\n0.000000 3.758158 3.758158\n3.758158 0.000000 3.758158\n3.758158 3.758158 0.000000\nYb Cd In\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Yb\n0.500001 0.500001 0.500001 Yb\n0.250001 0.250001 0.250001 Cd\n0.750000 0.750000 0.750000 In\n",
"nsites": 4,
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"elements": [
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"Cd",
"In"
],
"chemical_system": "Cd-In-Yb",
"density": 8.967734814539618,
"density_atomic": 0.03767947921290127,
"volume": 106.15857977756815,
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"formula_full": "Yb2 Cd1 In1",
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"spacegroup": 225
},
{
"id": "jvasp-39143",
"created_at": "2022-09-04T14:37:53.098855Z",
"updated_at": "2022-09-04T14:37:53.098876Z",
"structure_string": "Ho1 Er1 Cd2\n1.0\n0.000000 3.689099 3.689099\n3.689099 0.000000 3.689099\n3.689099 3.689099 -0.000000\nHo Er Cd\n1 1 2\ndirect\n0.750001 0.750001 0.750001 Ho\n0.250000 0.250000 0.250000 Er\n0.499999 0.499999 0.499999 Cd\n0.000000 0.000000 0.000000 Cd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ho",
"Er",
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],
"chemical_system": "Cd-Er-Ho",
"density": 9.21132685349006,
"density_atomic": 0.03983538928239731,
"volume": 100.41322733521127,
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"formula_full": "Ho1 Er1 Cd2",
"formula_reduced": "HoErCd2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-33829",
"created_at": "2022-09-04T14:38:01.348980Z",
"updated_at": "2022-09-04T14:38:01.349001Z",
"structure_string": "Er2 I6\n1.0\n10.467933 0.000000 -0.000000\n-5.233967 9.065497 0.000000\n0.000000 0.000000 3.954494\nEr I\n2 6\ndirect\n0.333333 0.666667 0.749998 Er\n0.666667 0.333335 0.249999 Er\n0.207118 0.414235 0.249999 I\n0.585764 0.792882 0.249999 I\n0.207117 0.792882 0.249999 I\n0.792881 0.585764 0.749998 I\n0.414235 0.207118 0.749998 I\n0.792882 0.207118 0.749998 I\n",
"nsites": 8,
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"elements": [
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"I"
],
"chemical_system": "Er-I",
"density": 4.849470390869719,
"density_atomic": 0.021318002718685794,
"volume": 375.26967725676235,
"volume_molar": 28.24908524249992,
"formula_full": "Er2 I6",
"formula_reduced": "ErI3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 194
},
{
"id": "jvasp-16480",
"created_at": "2022-09-04T14:37:53.058628Z",
"updated_at": "2022-09-04T14:37:53.058653Z",
"structure_string": "Nb1 Cd3\n1.0\n4.298708 -0.000000 -0.000000\n0.000000 4.298708 0.000000\n-0.000000 -0.000000 4.298708\nNb Cd\n1 3\ndirect\n0.000000 0.000000 0.000000 Nb\n0.500000 0.500000 0.000000 Cd\n0.500000 0.000000 0.500000 Cd\n0.000000 0.500000 0.500000 Cd\n",
"nsites": 4,
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"volume": 79.43535429134894,
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"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 221
},
{
"id": "jvasp-54967",
"created_at": "2022-09-04T14:38:02.273100Z",
"updated_at": "2022-09-04T14:38:02.273122Z",
"structure_string": "Rb4 Yb4 Br12\n1.0\n7.645503 0.000000 0.000000\n-0.000000 7.963696 0.000000\n0.000000 0.000000 11.086886\nYb Rb Br\n4 4 12\ndirect\n0.500000 0.000000 0.500000 Yb\n0.500000 0.000000 0.000000 Yb\n0.000000 0.500000 0.500000 Yb\n0.000000 0.500000 0.000000 Yb\n0.479411 0.565953 0.750000 Rb\n0.520588 0.434048 0.250000 Rb\n0.979411 0.934048 0.250000 Rb\n0.020589 0.065952 0.750000 Rb\n0.803466 0.200484 0.460041 Br\n0.696533 0.700484 0.460041 Br\n0.196533 0.799517 0.539959 Br\n0.920581 0.489042 0.750000 Br\n0.803466 0.200484 0.039959 Br\n0.420581 0.010958 0.250000 Br\n0.079419 0.510958 0.250000 Br\n0.579419 0.989043 0.750000 Br\n0.303466 0.299517 0.539959 Br\n0.303466 0.299517 0.960041 Br\n0.696533 0.700484 0.039959 Br\n0.196533 0.799517 0.960041 Br\n",
"nsites": 20,
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"elements": [
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],
"chemical_system": "Br-Rb-Yb",
"density": 4.902298519891067,
"density_atomic": 0.029627818629976124,
"volume": 675.0412593576795,
"volume_molar": 20.325967413298066,
"formula_full": "Rb4 Yb4 Br12",
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},
{
"id": "jvasp-38796",
"created_at": "2022-09-04T14:37:53.022064Z",
"updated_at": "2022-09-04T14:37:53.022089Z",
"structure_string": "Tb1 Cd1 Ag2\n1.0\n0.000000 3.486190 3.486190\n3.486190 -0.000000 3.486190\n3.486190 3.486190 0.000000\nTb Cd Ag\n1 1 2\ndirect\n0.749999 0.749999 0.749999 Tb\n0.250000 0.250000 0.250000 Cd\n0.499999 0.499999 0.499999 Ag\n0.000000 0.000000 0.000000 Ag\n",
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}
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}