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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-energy_above_hull&page=4581",
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"results": [
{
"id": "jvasp-109489",
"created_at": "2022-09-04T14:38:20.477941Z",
"updated_at": "2022-09-04T14:38:20.477965Z",
"structure_string": "Rb2 Li1 Sb1 Br6\n1.0\n6.710446 -0.000000 3.874278\n2.236815 6.326669 3.874278\n-0.000000 -0.000000 7.748556\nRb Li Sb Br\n2 1 1 6\ndirect\n0.750001 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500001 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Sb\n0.744553 0.255448 0.255448 Br\n0.255448 0.255448 0.744553 Br\n0.255448 0.744553 0.744553 Br\n0.255448 0.744553 0.255448 Br\n0.744553 0.255448 0.744553 Br\n0.744553 0.744553 0.255448 Br\n",
"nsites": 10,
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"elements": [
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"Br"
],
"chemical_system": "Br-Li-Rb-Sb",
"density": 3.9325392230429728,
"density_atomic": 0.030398539925610302,
"volume": 328.9631681150302,
"volume_molar": 19.81062503244256,
"formula_full": "Rb2 Li1 Sb1 Br6",
"formula_reduced": "Rb2LiSbBr6",
"formula_anonymous": "ABC2D6",
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"spacegroup": 225
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{
"id": "jvasp-5749",
"created_at": "2022-09-04T14:38:10.458774Z",
"updated_at": "2022-09-04T14:38:10.458794Z",
"structure_string": "Dy8 Br16\n1.0\n6.635577 0.000000 0.000000\n0.000000 7.608541 0.000000\n0.000000 0.000000 12.858046\nDy Br\n8 16\ndirect\n0.675083 0.048668 0.096296 Dy\n0.175083 0.951332 0.403704 Dy\n0.824918 0.548668 0.903704 Dy\n0.324917 0.451332 0.596297 Dy\n0.324917 0.951332 0.903704 Dy\n0.824918 0.048668 0.596297 Dy\n0.175083 0.451332 0.096296 Dy\n0.675083 0.548668 0.403704 Dy\n0.702930 0.380852 0.704888 Br\n0.202930 0.619148 0.795112 Br\n0.202930 0.119148 0.704888 Br\n0.702930 0.880852 0.795112 Br\n0.297070 0.619148 0.295112 Br\n0.797070 0.380852 0.204888 Br\n0.019538 0.296248 0.453570 Br\n0.980462 0.703752 0.546430 Br\n0.480462 0.796247 0.546430 Br\n0.980462 0.203752 0.953570 Br\n0.297070 0.119148 0.204888 Br\n0.480462 0.296248 0.953570 Br\n0.519538 0.203752 0.453570 Br\n0.019538 0.796247 0.046430 Br\n0.519538 0.703752 0.046430 Br\n0.797070 0.880852 0.295112 Br\n",
"nsites": 24,
"nelements": 2,
"elements": [
"Dy",
"Br"
],
"chemical_system": "Br-Dy",
"density": 6.59561225402641,
"density_atomic": 0.036970573556214116,
"volume": 649.1649355536172,
"volume_molar": 16.28901090983421,
"formula_full": "Dy8 Br16",
"formula_reduced": "DyBr2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0,
"spacegroup": 61
},
{
"id": "jvasp-110084",
"created_at": "2022-09-04T14:38:20.578398Z",
"updated_at": "2022-09-04T14:38:20.578414Z",
"structure_string": "Ag1 Pb1 F6\n1.0\n4.575425 0.043056 2.282839\n2.672883 4.454534 0.064578\n-0.247895 0.179519 5.798652\nAg Pb F\n1 1 6\ndirect\n0.000000 0.000000 0.000000 Ag\n0.000000 0.500000 0.500000 Pb\n0.846584 0.905254 0.740249 F\n0.153416 0.094746 0.259751 F\n0.816177 0.757560 0.249802 F\n0.183822 0.242440 0.750198 F\n0.537575 0.556535 0.732275 F\n0.462424 0.443465 0.267725 F\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ag",
"Pb",
"F"
],
"chemical_system": "Ag-F-Pb",
"density": 5.884293108050365,
"density_atomic": 0.06607216785080844,
"volume": 121.07972630872462,
"volume_molar": 9.114489437667686,
"formula_full": "Ag1 Pb1 F6",
"formula_reduced": "AgPbF6",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0,
"spacegroup": 2
},
{
"id": "jvasp-110214",
"created_at": "2022-09-04T14:38:20.634495Z",
"updated_at": "2022-09-04T14:38:20.634516Z",
"structure_string": "Mg4 Cd1 Ag5\n1.0\n3.317551 0.000000 0.000000\n0.000000 3.317551 0.000000\n0.000000 -0.000000 16.652277\nMg Cd Ag\n4 1 5\ndirect\n0.500000 0.500000 0.202974 Mg\n0.500000 0.500000 0.400959 Mg\n0.500000 0.500000 0.599041 Mg\n0.500000 0.500000 0.797026 Mg\n0.500000 0.500000 -0.000000 Cd\n0.000000 0.000000 0.893048 Ag\n0.000000 0.000000 0.106953 Ag\n0.000000 0.000000 0.301532 Ag\n0.000000 0.000000 0.500000 Ag\n0.000000 0.000000 0.698468 Ag\n",
"nsites": 10,
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"elements": [
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"Cd",
"Ag"
],
"chemical_system": "Ag-Cd-Mg",
"density": 6.785874716382297,
"density_atomic": 0.0545621101134642,
"volume": 183.27736920739648,
"volume_molar": 11.037221154894311,
"formula_full": "Mg4 Cd1 Ag5",
"formula_reduced": "Mg4CdAg5",
"formula_anonymous": "AB4C5",
"energy_above_hull": 0.0,
"spacegroup": 123
},
{
"id": "jvasp-10119",
"created_at": "2022-09-04T14:38:10.342738Z",
"updated_at": "2022-09-04T14:38:10.342757Z",
"structure_string": "K2 Ag2 F8\n1.0\n5.354048 -0.000000 -2.417696\n-1.091744 5.241557 -2.417696\n0.003195 0.003929 7.144260\nK Ag F\n2 2 8\ndirect\n0.250000 0.250000 0.500000 K\n0.750001 0.750000 0.499999 K\n0.000000 0.500000 -0.000000 Ag\n0.500000 0.000000 -0.000000 Ag\n0.947957 0.447957 0.232019 F\n0.715937 0.215937 0.767980 F\n0.052044 0.552044 0.767981 F\n0.215936 0.052044 0.767980 F\n0.284064 0.784063 0.232019 F\n0.447956 0.284063 0.232019 F\n0.784064 0.947957 0.232019 F\n0.552044 0.715938 0.767980 F\n",
"nsites": 12,
"nelements": 3,
"elements": [
"K",
"Ag",
"F"
],
"chemical_system": "Ag-F-K",
"density": 3.6913579892571344,
"density_atomic": 0.059822029515601866,
"volume": 200.5949998214344,
"volume_molar": 10.066761038973777,
"formula_full": "K2 Ag2 F8",
"formula_reduced": "KAgF4",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0,
"spacegroup": 140
},
{
"id": "jvasp-12774",
"created_at": "2022-09-04T14:38:10.320207Z",
"updated_at": "2022-09-04T14:38:10.320232Z",
"structure_string": "Rb4 Co2 I8\n1.0\n0.000000 7.504440 0.054751\n7.955718 0.000000 0.000000\n0.000000 -3.430720 -9.740622\nRb Co I\n4 2 8\ndirect\n0.698807 0.250000 0.036136 Rb\n0.301193 0.750000 0.963864 Rb\n0.195088 0.750000 0.409231 Rb\n0.804912 0.250000 0.590769 Rb\n0.693122 0.750000 0.783868 Co\n0.306878 0.250000 0.216132 Co\n0.139979 0.250000 0.950798 I\n0.860021 0.750000 0.049202 I\n0.085096 0.250000 0.359139 I\n0.914904 0.750000 0.640861 I\n0.529194 -0.004969 0.281827 I\n0.470806 0.495032 0.718173 I\n0.470806 0.004969 0.718173 I\n0.529194 0.504969 0.281827 I\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Rb",
"Co",
"I"
],
"chemical_system": "Co-I-Rb",
"density": 4.222467615599621,
"density_atomic": 0.024135766305376265,
"volume": 580.0520200131987,
"volume_molar": 24.95110651887014,
"formula_full": "Rb4 Co2 I8",
"formula_reduced": "Rb2CoI4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 0.0,
"spacegroup": 11
},
{
"id": "jvasp-109252",
"created_at": "2022-09-04T14:38:20.593368Z",
"updated_at": "2022-09-04T14:38:20.593391Z",
"structure_string": "Rb2 Tl1 Bi1 Br6\n1.0\n7.257844 -0.000000 4.190318\n2.419281 6.842761 4.190318\n-0.000000 -0.000000 8.380636\nRb Tl Bi Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750001 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500001 Tl\n0.000000 0.000000 0.000000 Bi\n0.759153 0.240846 0.240847 Br\n0.240846 0.240846 0.759154 Br\n0.240846 0.759154 0.759155 Br\n0.240846 0.759154 0.240847 Br\n0.759153 0.240846 0.759155 Br\n0.759153 0.759154 0.240847 Br\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Tl",
"Bi",
"Br"
],
"chemical_system": "Bi-Br-Rb-Tl",
"density": 4.243867252769553,
"density_atomic": 0.024026140982118898,
"volume": 416.2133239558676,
"volume_molar": 25.06495223049715,
"formula_full": "Rb2 Tl1 Bi1 Br6",
"formula_reduced": "Rb2TlBiBr6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-110072",
"created_at": "2022-09-04T14:38:20.594779Z",
"updated_at": "2022-09-04T14:38:20.594800Z",
"structure_string": "Rb3 Ho1 Cl6\n1.0\n6.895202 -0.000000 3.980947\n2.298401 6.500859 3.980947\n-0.000000 -0.000000 7.961894\nRb Ho Cl\n3 1 6\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750000 0.750000 Rb\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Ho\n0.768693 0.231307 0.231307 Cl\n0.231307 0.768693 0.768693 Cl\n0.231307 0.768693 0.231307 Cl\n0.768693 0.231307 0.768693 Cl\n0.231307 0.231307 0.768693 Cl\n0.768693 0.768693 0.231307 Cl\n",
"nsites": 10,
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"elements": [
"Rb",
"Ho",
"Cl"
],
"chemical_system": "Cl-Ho-Rb",
"density": 2.9501197899476495,
"density_atomic": 0.028019854027154033,
"volume": 356.8897964389466,
"volume_molar": 21.492405899630832,
"formula_full": "Rb3 Ho1 Cl6",
"formula_reduced": "Rb3HoCl6",
"formula_anonymous": "AB3C6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-108852",
"created_at": "2022-09-04T14:38:20.605967Z",
"updated_at": "2022-09-04T14:38:20.605984Z",
"structure_string": "K2 Tl1 Au1 I6\n1.0\n7.303673 -0.000000 4.216778\n2.434558 6.885969 4.216778\n-0.000000 -0.000000 8.433555\nK Tl Au I\n2 1 1 6\ndirect\n0.750000 0.750000 0.750001 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 Tl\n0.500000 0.500000 0.500001 Au\n0.740549 0.259451 0.259451 I\n0.259451 0.259451 0.740550 I\n0.259451 0.740549 0.740550 I\n0.259451 0.740549 0.259451 I\n0.740549 0.259451 0.740550 I\n0.740549 0.740549 0.259451 I\n",
"nsites": 10,
"nelements": 4,
"elements": [
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"Tl",
"Au",
"I"
],
"chemical_system": "Au-I-K-Tl",
"density": 4.85841339726925,
"density_atomic": 0.02357669550028178,
"volume": 424.14765037282194,
"volume_molar": 25.542768535684,
"formula_full": "K2 Tl1 Au1 I6",
"formula_reduced": "K2TlAuI6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-109891",
"created_at": "2022-09-04T14:38:20.615742Z",
"updated_at": "2022-09-04T14:38:20.615765Z",
"structure_string": "Rb2 Na1 Nd1 F6\n1.0\n5.531597 -0.000000 3.193669\n1.843866 5.215240 3.193669\n-0.000000 -0.000000 6.387338\nRb Na Nd F\n2 1 1 6\ndirect\n0.750001 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500001 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Nd\n0.748951 0.251050 0.251050 F\n0.251050 0.251050 0.748950 F\n0.251050 0.748950 0.748950 F\n0.251050 0.748950 0.251050 F\n0.748951 0.251050 0.748950 F\n0.748951 0.748950 0.251050 F\n",
"nsites": 10,
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"elements": [
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"Nd",
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],
"chemical_system": "F-Na-Nd-Rb",
"density": 4.074688219080262,
"density_atomic": 0.05426943125183028,
"volume": 184.26579695660146,
"volume_molar": 11.096745665262334,
"formula_full": "Rb2 Na1 Nd1 F6",
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"formula_anonymous": "ABC2D6",
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"spacegroup": 225
},
{
"id": "jvasp-109230",
"created_at": "2022-09-04T14:38:10.328855Z",
"updated_at": "2022-09-04T14:38:10.328876Z",
"structure_string": "K2 Li1 Bi1 Br6\n1.0\n6.741386 -0.000000 3.892141\n2.247129 6.355839 3.892141\n-0.000000 -0.000000 7.784282\nK Li Bi Br\n2 1 1 6\ndirect\n0.750001 0.750000 0.749999 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Bi\n0.741791 0.258209 0.258209 Br\n0.258209 0.258209 0.741791 Br\n0.258209 0.741791 0.741790 Br\n0.258209 0.741791 0.258209 Br\n0.741791 0.258209 0.741790 Br\n0.741791 0.741791 0.258209 Br\n",
"nsites": 10,
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],
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"density": 3.8511670168928003,
"density_atomic": 0.029981914199891532,
"volume": 333.5344078876784,
"volume_molar": 20.08591152602854,
"formula_full": "K2 Li1 Bi1 Br6",
"formula_reduced": "K2LiBiBr6",
"formula_anonymous": "ABC2D6",
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"spacegroup": 225
},
{
"id": "jvasp-109800",
"created_at": "2022-09-04T14:38:20.662093Z",
"updated_at": "2022-09-04T14:38:20.662120Z",
"structure_string": "K4 Zn2 Se4\n1.0\n6.268991 0.004577 -5.131227\n-1.189816 5.819162 -5.509215\n-0.047401 -0.004577 8.101079\nK Zn Se\n4 2 4\ndirect\n0.817030 0.643645 0.173386 K\n0.182970 0.356355 0.826613 K\n0.470258 0.143645 0.326614 K\n0.529741 0.856355 0.673386 K\n-0.000001 0.749999 0.750000 Zn\n-0.000000 0.250000 0.250000 Zn\n0.699419 0.393804 0.305615 Se\n0.300580 0.606195 0.694385 Se\n0.088187 0.893804 0.194385 Se\n0.911812 0.106196 0.805615 Se\n",
"nsites": 10,
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],
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"density": 3.4063956487505775,
"density_atomic": 0.03401667070410709,
"volume": 293.9735074894506,
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"formula_full": "K4 Zn2 Se4",
"formula_reduced": "K2ZnSe2",
"formula_anonymous": "AB2C2",
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"spacegroup": 72
}
]
}