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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=energy_above_hull&page=338",
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"results": [
{
"id": "jvasp-31903",
"created_at": "2022-09-04T14:38:06.437715Z",
"updated_at": "2022-09-04T14:38:06.437745Z",
"structure_string": "Ga2 Cl6\n1.0\n6.866396 0.003417 -0.058558\n-3.453862 4.873990 -3.280167\n0.026978 -0.044666 6.866775\nGa Cl\n2 6\ndirect\n0.161252 0.076722 0.236668 Ga\n0.838749 0.923277 0.763332 Ga\n0.806006 0.612275 0.427887 Cl\n0.240728 0.235971 0.994714 Cl\n0.322806 0.870906 0.204682 Cl\n0.193995 0.387725 0.572112 Cl\n0.759273 0.764028 0.005286 Cl\n0.677195 0.129094 0.795318 Cl\n",
"nsites": 8,
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"elements": [
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],
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"formula_full": "Ga2 Cl6",
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"spacegroup": 12
},
{
"id": "jvasp-108909",
"created_at": "2022-09-04T14:38:10.765831Z",
"updated_at": "2022-09-04T14:38:10.765849Z",
"structure_string": "Tb4 Cd2 Cu4\n1.0\n7.538362 0.000000 0.000000\n0.000000 7.538362 0.000000\n-0.000000 -0.000000 3.692062\nTb Cd Cu\n4 2 4\ndirect\n0.674142 0.174142 0.500000 Tb\n0.325857 0.825857 0.500000 Tb\n0.174142 0.325857 0.500000 Tb\n0.825857 0.674142 0.500000 Tb\n0.000000 0.000000 0.000000 Cd\n0.500000 0.500000 -0.000000 Cd\n0.120123 0.620123 -0.000000 Cu\n0.879877 0.379877 -0.000000 Cu\n0.620123 0.879877 -0.000000 Cu\n0.379877 0.120123 -0.000000 Cu\n",
"nsites": 10,
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"elements": [
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"chemical_system": "Cd-Cu-Tb",
"density": 8.822405566983427,
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"volume": 209.80844413402033,
"volume_molar": 12.634959832116667,
"formula_full": "Tb4 Cd2 Cu4",
"formula_reduced": "Tb2CdCu2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.0,
"spacegroup": 127
},
{
"id": "jvasp-54976",
"created_at": "2022-09-04T14:38:10.749855Z",
"updated_at": "2022-09-04T14:38:10.749870Z",
"structure_string": "K8 Cu4 Br12\n1.0\n4.300463 0.000000 0.000000\n0.000000 12.518902 0.000000\n0.000000 0.000000 13.169985\nK Cu Br\n8 4 12\ndirect\n0.250000 0.177680 0.514759 K\n0.250000 0.513724 0.321975 K\n0.749999 0.822320 0.485240 K\n0.749999 0.486276 0.678024 K\n0.749999 0.986275 0.821975 K\n0.250000 0.677679 0.985240 K\n0.749999 0.322320 0.014760 K\n0.250000 0.013724 0.178025 K\n0.250000 0.255280 0.802458 Cu\n0.250000 0.755280 0.697542 Cu\n0.749999 0.744720 0.197542 Cu\n0.749999 0.244720 0.302458 Cu\n0.749999 0.370394 0.447516 Br\n0.749999 0.722322 0.793547 Br\n0.749999 0.222322 0.706452 Br\n0.250000 0.443120 0.862732 Br\n0.250000 0.943120 0.637267 Br\n0.250000 0.777678 0.293547 Br\n0.250000 0.277678 0.206452 Br\n0.250000 0.629606 0.552484 Br\n0.250000 0.129606 0.947515 Br\n0.749999 0.056880 0.362732 Br\n0.749999 0.870394 0.052484 Br\n0.749999 0.556880 0.137268 Br\n",
"nsites": 24,
"nelements": 3,
"elements": [
"K",
"Cu",
"Br"
],
"chemical_system": "Br-Cu-K",
"density": 3.5734294292582347,
"density_atomic": 0.033848895820928045,
"volume": 709.0334682397917,
"volume_molar": 17.79124728871256,
"formula_full": "K8 Cu4 Br12",
"formula_reduced": "K2CuBr3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 0.0,
"spacegroup": 62
},
{
"id": "jvasp-109656",
"created_at": "2022-09-04T14:38:18.011976Z",
"updated_at": "2022-09-04T14:38:18.012004Z",
"structure_string": "Yb1 Ga3 Cu1\n1.0\n3.863098 -0.010526 -4.711858\n-0.501893 3.830371 -4.711858\n0.009262 0.010526 6.093032\nYb Ga Cu\n1 3 1\ndirect\n0.000000 0.000000 0.000000 Yb\n0.614455 0.614454 -0.000001 Ga\n0.385546 0.385545 -0.000000 Ga\n0.750000 0.250000 0.499999 Ga\n0.250000 0.750000 0.500000 Cu\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Yb",
"Ga",
"Cu"
],
"chemical_system": "Cu-Ga-Yb",
"density": 8.177930054840507,
"density_atomic": 0.05524183232123402,
"volume": 90.51111793187361,
"volume_molar": 10.90141385061406,
"formula_full": "Yb1 Ga3 Cu1",
"formula_reduced": "YbGa3Cu",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.0,
"spacegroup": 119
},
{
"id": "jvasp-33812",
"created_at": "2022-09-04T14:38:06.461492Z",
"updated_at": "2022-09-04T14:38:06.461530Z",
"structure_string": "Nd2 I6\n1.0\n10.496974 0.000037 -0.000000\n-5.248456 9.090656 -0.000000\n-0.000000 -0.000000 4.134965\nNd I\n2 6\ndirect\n0.666666 0.333334 0.250000 Nd\n0.333333 0.666666 0.749998 Nd\n0.203293 0.406589 0.250000 I\n0.796705 0.203294 0.749998 I\n0.406590 0.203295 0.749998 I\n0.796706 0.593411 0.749998 I\n0.203295 0.796706 0.250000 I\n0.593410 0.796705 0.250000 I\n",
"nsites": 8,
"nelements": 2,
"elements": [
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"I"
],
"chemical_system": "I-Nd",
"density": 4.418444882627171,
"density_atomic": 0.020274862607990142,
"volume": 394.5772730833338,
"volume_molar": 29.70249849005994,
"formula_full": "Nd2 I6",
"formula_reduced": "NdI3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 194
},
{
"id": "jvasp-108574",
"created_at": "2022-09-04T14:38:06.473944Z",
"updated_at": "2022-09-04T14:38:06.473976Z",
"structure_string": "K2 Li1 Nd1 I6\n1.0\n7.317237 0.000000 4.224609\n2.439079 6.898758 4.224609\n0.000000 0.000000 8.449218\nK Li Nd I\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Nd\n0.742582 0.257418 0.257418 I\n0.257418 0.257418 0.742582 I\n0.257418 0.742582 0.742582 I\n0.257418 0.742582 0.257418 I\n0.742582 0.257418 0.742582 I\n0.742582 0.742582 0.257418 I\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Li",
"Nd",
"I"
],
"chemical_system": "I-K-Li-Nd",
"density": 3.8574771432573485,
"density_atomic": 0.023445821377707992,
"volume": 426.5152343738267,
"volume_molar": 25.685347776835744,
"formula_full": "K2 Li1 Nd1 I6",
"formula_reduced": "K2LiNdI6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-109091",
"created_at": "2022-09-04T14:38:18.014773Z",
"updated_at": "2022-09-04T14:38:18.014792Z",
"structure_string": "Zn1 Ga1 Ni2\n1.0\n3.543290 -0.000000 2.045720\n1.181097 3.340646 2.045720\n-0.000000 -0.000000 4.091439\nZn Ga Ni\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Zn\n0.500000 0.500001 0.500000 Ga\n0.250000 0.250000 0.250000 Ni\n0.750000 0.750001 0.750000 Ni\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Zn",
"Ga",
"Ni"
],
"chemical_system": "Ga-Ni-Zn",
"density": 8.658239167466833,
"density_atomic": 0.08259366830231943,
"volume": 48.42986250905713,
"volume_molar": 7.291286225424721,
"formula_full": "Zn1 Ga1 Ni2",
"formula_reduced": "ZnGaNi2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-110039",
"created_at": "2022-09-04T14:38:18.621071Z",
"updated_at": "2022-09-04T14:38:18.621102Z",
"structure_string": "Sr1 Ac1 Ga2\n1.0\n4.779064 -0.000000 2.759194\n1.593021 4.505745 2.759194\n-0.000000 -0.000000 5.518388\nSr Ac Ga\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.499999 0.500001 0.500000 Ac\n0.749999 0.750001 0.749999 Ga\n0.250000 0.250000 0.250000 Ga\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sr",
"Ac",
"Ga"
],
"chemical_system": "Ac-Ga-Sr",
"density": 6.3452157339547135,
"density_atomic": 0.03366187498350211,
"volume": 118.82879376031265,
"volume_molar": 17.890093059140312,
"formula_full": "Sr1 Ac1 Ga2",
"formula_reduced": "SrAcGa2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-110200",
"created_at": "2022-09-04T14:38:27.202057Z",
"updated_at": "2022-09-04T14:38:27.202068Z",
"structure_string": "Na1 Y1 F4\n1.0\n3.803606 -0.000000 0.000000\n0.000000 3.803606 0.000000\n-0.000000 -0.000000 5.465316\nNa Y F\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Na\n0.500001 0.500001 0.500000 Y\n0.500001 0.000000 0.733162 F\n-0.000000 0.500001 0.266838 F\n0.500001 0.000000 0.266838 F\n-0.000000 0.500001 0.733162 F\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Na",
"Y",
"F"
],
"chemical_system": "F-Na-Y",
"density": 3.9458871789970016,
"density_atomic": 0.07588307566160064,
"volume": 79.06901437096334,
"volume_molar": 7.936078904940068,
"formula_full": "Na1 Y1 F4",
"formula_reduced": "NaYF4",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0,
"spacegroup": 123
},
{
"id": "jvasp-109093",
"created_at": "2022-09-04T14:38:18.058425Z",
"updated_at": "2022-09-04T14:38:18.058443Z",
"structure_string": "Yb6 Pb2\n1.0\n6.998076 -0.000000 0.000000\n-3.499038 6.060512 0.000000\n-0.000000 -0.000000 5.563048\nYb Pb\n6 2\ndirect\n0.171964 0.343927 0.250000 Yb\n0.656073 0.828036 0.250000 Yb\n0.171964 0.828036 0.250000 Yb\n0.828036 0.656073 0.750000 Yb\n0.343927 0.171964 0.750000 Yb\n0.828036 0.171964 0.750000 Yb\n0.333333 0.666666 0.750000 Pb\n0.666667 0.333333 0.250000 Pb\n",
"nsites": 8,
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"elements": [
"Yb",
"Pb"
],
"chemical_system": "Pb-Yb",
"density": 10.223658135285294,
"density_atomic": 0.033906987770725774,
"volume": 235.93956661956707,
"volume_molar": 17.760766012955376,
"formula_full": "Yb6 Pb2",
"formula_reduced": "Yb3Pb",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 194
},
{
"id": "jvasp-107954",
"created_at": "2022-09-04T14:38:18.063553Z",
"updated_at": "2022-09-04T14:38:18.063563Z",
"structure_string": "Mg5 Pb1\n1.0\n4.988223 0.016592 3.641141\n1.859235 4.628811 3.641141\n0.024457 0.016592 6.175733\nMg Pb\n5 1\ndirect\n0.000001 0.671067 0.328932 Mg\n0.671067 0.328932 0.000000 Mg\n0.328933 -0.000000 0.671067 Mg\n0.830798 0.830796 0.830796 Mg\n0.169203 0.169203 0.169203 Mg\n0.500001 0.499999 0.500000 Pb\n",
"nsites": 6,
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"elements": [
"Mg",
"Pb"
],
"chemical_system": "Mg-Pb",
"density": 3.849387171784266,
"density_atomic": 0.042311752491415375,
"volume": 141.80457311989946,
"volume_molar": 14.23278499566245,
"formula_full": "Mg5 Pb1",
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"formula_anonymous": "AB5",
"energy_above_hull": 0.0,
"spacegroup": 155
},
{
"id": "jvasp-4237",
"created_at": "2022-09-04T14:38:06.632272Z",
"updated_at": "2022-09-04T14:38:06.632294Z",
"structure_string": "Ga4 Br12\n1.0\n0.000000 8.863864 -0.060489\n5.539479 0.000000 0.000000\n0.000000 -3.390950 -10.390360\nGa Br\n4 12\ndirect\n0.703047 0.001563 0.050098 Ga\n0.296952 0.501563 0.449902 Ga\n0.296952 0.998438 0.949902 Ga\n0.703047 0.498438 0.550098 Ga\n0.832298 0.746557 0.213065 Br\n0.167701 0.246557 0.286935 Br\n0.167701 0.253443 0.786935 Br\n0.832298 0.753444 0.713065 Br\n0.831551 0.257475 0.950653 Br\n0.168449 0.757475 0.549347 Br\n0.168449 0.742525 0.049347 Br\n0.831551 0.242525 0.450653 Br\n0.500724 0.771112 0.882212 Br\n0.499275 0.271112 0.617788 Br\n0.499275 0.228888 0.117788 Br\n0.500724 0.728888 0.382212 Br\n",
"nsites": 16,
"nelements": 2,
"elements": [
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],
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"density": 4.019664189836261,
"density_atomic": 0.031291849425553984,
"volume": 511.3152560082901,
"volume_molar": 19.24507777760849,
"formula_full": "Ga4 Br12",
"formula_reduced": "GaBr3",
"formula_anonymous": "AB3",
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"spacegroup": 14
}
]
}