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{
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"results": [
{
"id": "jvasp-109482",
"created_at": "2022-09-04T14:38:19.865537Z",
"updated_at": "2022-09-04T14:38:19.865562Z",
"structure_string": "Rb2 Ga1 Ag1 Br6\n1.0\n6.576754 -0.000000 3.797091\n2.192251 6.200623 3.797091\n-0.000000 -0.000000 7.594181\nRb Ga Ag Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Ga\n0.500000 0.500000 0.500000 Ag\n0.759527 0.240473 0.240473 Br\n0.240473 0.240473 0.759527 Br\n0.240473 0.759527 0.759527 Br\n0.240473 0.759527 0.240473 Br\n0.759527 0.240473 0.759527 Br\n0.759527 0.759527 0.240473 Br\n",
"nsites": 10,
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{
"id": "jvasp-109233",
"created_at": "2022-09-04T14:38:19.863862Z",
"updated_at": "2022-09-04T14:38:19.863882Z",
"structure_string": "K2 Na1 Ti1 F6\n1.0\n5.132347 -0.000000 2.963162\n1.710782 4.838823 2.963162\n-0.000000 -0.000000 5.926324\nK Na Ti F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.749999 0.749999 K\n0.500000 0.500000 0.499999 Na\n0.000000 0.000000 0.000000 Ti\n0.236019 0.236019 0.763981 F\n0.236019 0.763981 0.763981 F\n0.763981 0.763981 0.236018 F\n0.236019 0.763981 0.236019 F\n0.763982 0.236019 0.763980 F\n0.763982 0.236019 0.236018 F\n",
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"formula_full": "K2 Na1 Ti1 F6",
"formula_reduced": "K2NaTiF6",
"formula_anonymous": "ABC2D6",
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"spacegroup": 225
},
{
"id": "jvasp-20972",
"created_at": "2022-09-04T14:38:20.098826Z",
"updated_at": "2022-09-04T14:38:20.098847Z",
"structure_string": "Na6 Sc2 F12\n1.0\n0.000000 5.580506 -0.011609\n5.838205 0.000000 0.000000\n0.000000 -5.450045 -8.096378\nNa Sc F\n6 2 12\ndirect\n0.723275 0.559848 0.741917 Na\n0.276725 0.059849 0.758084 Na\n0.276725 0.440151 0.258084 Na\n0.723275 0.940151 0.241917 Na\n0.500000 0.500000 0.000000 Na\n0.500000 0.000000 0.500000 Na\n-0.000000 0.500000 0.500000 Sc\n0.000000 0.000000 0.000000 Sc\n0.896531 0.566357 0.268009 F\n0.103469 0.066358 0.231991 F\n0.353915 0.179099 0.056194 F\n0.646085 0.679098 0.443806 F\n0.646085 0.820900 0.943806 F\n0.249000 0.712485 0.078600 F\n0.751000 0.287514 0.921401 F\n0.249000 0.787513 0.578600 F\n0.896531 0.933642 0.768010 F\n0.751001 0.212486 0.421400 F\n0.353915 0.320901 0.556195 F\n0.103469 0.433642 0.731991 F\n",
"nsites": 20,
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"elements": [
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],
"chemical_system": "F-Na-Sc",
"density": 2.8655091077509054,
"density_atomic": 0.07571441466056159,
"volume": 264.1504935310248,
"volume_molar": 7.953757269336503,
"formula_full": "Na6 Sc2 F12",
"formula_reduced": "Na3ScF6",
"formula_anonymous": "AB3C6",
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"spacegroup": 14
},
{
"id": "jvasp-109428",
"created_at": "2022-09-04T14:38:20.064058Z",
"updated_at": "2022-09-04T14:38:20.064079Z",
"structure_string": "Tb1 Cd1 Hg2\n1.0\n4.407901 -0.000000 2.544903\n1.469300 4.155809 2.544903\n-0.000000 0.000000 5.089806\nTb Cd Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Tb\n0.500000 0.500000 0.500000 Cd\n0.250000 0.250000 0.250000 Hg\n0.750000 0.750000 0.750000 Hg\n",
"nsites": 4,
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"elements": [
"Tb",
"Cd",
"Hg"
],
"chemical_system": "Cd-Hg-Tb",
"density": 11.977420701919474,
"density_atomic": 0.04290138875203468,
"volume": 93.23707498420531,
"volume_molar": 14.037169740138978,
"formula_full": "Tb1 Cd1 Hg2",
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"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-57662",
"created_at": "2022-09-04T14:38:29.355293Z",
"updated_at": "2022-09-04T14:38:29.355316Z",
"structure_string": "Tl10 Te6\n1.0\n7.797283 -0.000000 -4.501179\n-2.598419 7.351587 -4.501179\n0.064594 0.091341 9.116007\nTl Te\n10 6\ndirect\n0.194359 0.991574 0.685933 Tl\n0.805640 0.008426 0.314067 Tl\n0.000000 0.000000 0.000000 Tl\n0.500000 0.500000 -0.000000 Tl\n0.491573 0.694359 0.685933 Tl\n0.991573 0.491574 0.685933 Tl\n0.694359 0.194359 0.685933 Tl\n0.305641 0.805641 0.314067 Tl\n0.008426 0.508426 0.314067 Tl\n0.508426 0.305641 0.314067 Tl\n0.157419 0.342581 -0.000000 Te\n0.657419 0.157419 -0.000000 Te\n0.342581 0.842581 -0.000000 Te\n0.842581 0.657419 -0.000000 Te\n0.750000 0.750000 0.500000 Te\n0.250000 0.250000 0.500000 Te\n",
"nsites": 16,
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"elements": [
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],
"chemical_system": "Te-Tl",
"density": 8.819469579702224,
"density_atomic": 0.030247861262174533,
"volume": 528.9630186187171,
"volume_molar": 19.909310968477595,
"formula_full": "Tl10 Te6",
"formula_reduced": "Tl5Te3",
"formula_anonymous": "A3B5",
"energy_above_hull": 0.0,
"spacegroup": 140
},
{
"id": "jvasp-77365",
"created_at": "2022-09-04T14:38:10.321792Z",
"updated_at": "2022-09-04T14:38:10.321811Z",
"structure_string": "K2 Hg1 Te1\n1.0\n-13.173630 4.482936 -0.283471\n-9.315709 1.386293 2.735825\n-7.627489 6.162334 -0.187909\nK Hg Te\n2 1 1\ndirect\n0.748327 1.000953 1.000955 K\n0.251674 -0.000955 -0.000956 K\n0.500000 0.000000 0.000001 Hg\n0.000000 0.000000 0.000000 Te\n",
"nsites": 4,
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"elements": [
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"Hg",
"Te"
],
"chemical_system": "Hg-K-Te",
"density": 4.911090795957934,
"density_atomic": 0.029110487470423187,
"volume": 137.40752380268714,
"volume_molar": 20.68718624557081,
"formula_full": "K2 Hg1 Te1",
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"formula_anonymous": "ABC2",
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"spacegroup": 71
},
{
"id": "jvasp-109953",
"created_at": "2022-09-04T14:38:19.818243Z",
"updated_at": "2022-09-04T14:38:19.818267Z",
"structure_string": "Er1 Tm1 Zn2\n1.0\n4.294727 -0.000000 2.479562\n1.431576 4.049107 2.479562\n-0.000000 -0.000000 4.959123\nEr Tm Zn\n1 1 2\ndirect\n0.500001 0.500000 0.499999 Er\n0.000000 0.000000 0.000000 Tm\n0.250000 0.250000 0.249999 Zn\n0.750001 0.750001 0.749998 Zn\n",
"nsites": 4,
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"elements": [
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"Tm",
"Zn"
],
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"density": 8.992422565405143,
"density_atomic": 0.046383155968341236,
"volume": 86.23820256496118,
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"formula_full": "Er1 Tm1 Zn2",
"formula_reduced": "ErTmZn2",
"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"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,
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"elements": [
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"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-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,
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"elements": [
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"density": 4.418444882627171,
"density_atomic": 0.020274862607990142,
"volume": 394.5772730833338,
"volume_molar": 29.70249849005994,
"formula_full": "Nd2 I6",
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"spacegroup": 194
},
{
"id": "jvasp-4453",
"created_at": "2022-09-04T14:38:09.989156Z",
"updated_at": "2022-09-04T14:38:09.989190Z",
"structure_string": "Li8 Tb4 F24\n1.0\n0.000000 7.863173 -0.010134\n4.320792 0.000000 0.000000\n0.000000 -3.042057 -11.672277\nTb Li F\n4 8 24\ndirect\n0.250870 0.535284 0.999444 Tb\n0.250871 0.964715 0.499444 Tb\n0.749129 0.464715 0.000555 Tb\n0.749129 0.035285 0.500556 Tb\n0.945358 0.971571 0.821819 Li\n0.945358 0.528428 0.321819 Li\n0.054641 0.028428 0.178181 Li\n0.054641 0.471572 0.678181 Li\n0.619981 0.446928 0.695942 Li\n0.619981 0.053072 0.195942 Li\n0.380018 0.553071 0.304058 Li\n0.380018 0.946928 0.804058 Li\n0.022153 0.754610 0.557630 F\n0.699659 0.949489 0.053967 F\n0.300340 0.449490 0.446033 F\n0.391207 0.837613 0.164495 F\n0.608793 0.337613 0.335505 F\n0.608793 0.162387 0.835505 F\n0.391206 0.662386 0.664495 F\n0.022154 0.745389 0.057630 F\n0.300340 0.050510 0.946033 F\n0.977846 0.254610 0.942370 F\n0.109701 0.838385 0.316946 F\n0.534834 0.423592 0.105121 F\n0.890298 0.161615 0.683054 F\n0.109701 0.661614 0.816946 F\n0.890298 0.338385 0.183054 F\n0.534834 0.076407 0.605121 F\n0.699659 0.550510 0.553967 F\n0.465165 0.923592 0.394879 F\n0.757588 0.713305 0.827388 F\n0.757588 0.786695 0.327388 F\n0.242411 0.286695 0.172612 F\n0.465165 0.576407 0.894879 F\n0.977846 0.245389 0.442370 F\n0.242411 0.213305 0.672612 F\n",
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"volume": 396.70038901517086,
"volume_molar": 6.63607106165588,
"formula_full": "Li8 Tb4 F24",
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"spacegroup": 14
},
{
"id": "jvasp-110098",
"created_at": "2022-09-04T14:38:19.787210Z",
"updated_at": "2022-09-04T14:38:19.787241Z",
"structure_string": "K1 Tl2 Ga1 F6\n1.0\n5.408368 -0.000000 3.122522\n1.802789 5.099058 3.122522\n-0.000000 -0.000000 6.245045\nK Tl Ga F\n1 2 1 6\ndirect\n0.500000 0.500000 0.499999 K\n0.250000 0.250000 0.249999 Tl\n0.750000 0.750000 0.749998 Tl\n0.000000 0.000000 0.000000 Ga\n0.782639 0.217362 0.217361 F\n0.217362 0.782639 0.782637 F\n0.217362 0.782639 0.217361 F\n0.782639 0.217362 0.782637 F\n0.217362 0.217362 0.782637 F\n0.782639 0.782639 0.217361 F\n",
"nsites": 10,
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"chemical_system": "F-Ga-K-Tl",
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"density_atomic": 0.05806417254548909,
"volume": 172.2232413140086,
"volume_molar": 10.37152601336407,
"formula_full": "K1 Tl2 Ga1 F6",
"formula_reduced": "KTl2GaF6",
"formula_anonymous": "ABC2D6",
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},
{
"id": "jvasp-36948",
"created_at": "2022-09-04T14:38:19.785029Z",
"updated_at": "2022-09-04T14:38:19.785051Z",
"structure_string": "Rb4 Ca4 Br12\n1.0\n4.355302 -0.000000 0.000000\n0.000000 9.504092 0.000000\n0.000000 0.000000 15.952080\nRb Ca Br\n4 4 12\ndirect\n0.750000 0.077579 0.323767 Rb\n0.250000 0.922420 0.676233 Rb\n0.750000 0.577579 0.176233 Rb\n0.250000 0.422420 0.823767 Rb\n0.250000 0.169089 0.057635 Ca\n0.750000 0.830910 0.942365 Ca\n0.250000 0.669090 0.442365 Ca\n0.750000 0.330910 0.557635 Ca\n0.750000 0.701458 0.784843 Br\n0.250000 0.298541 0.215157 Br\n0.750000 0.476567 0.395177 Br\n0.250000 0.523433 0.604823 Br\n0.750000 0.976567 0.104823 Br\n0.250000 0.663672 0.008420 Br\n0.250000 0.163671 0.491580 Br\n0.750000 0.836328 0.508420 Br\n0.250000 0.798541 0.284843 Br\n0.750000 0.336329 0.991580 Br\n0.250000 0.023433 0.895177 Br\n0.750000 0.201458 0.715157 Br\n",
"nsites": 20,
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"elements": [
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"Ca",
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],
"chemical_system": "Br-Ca-Rb",
"density": 3.674196358846967,
"density_atomic": 0.0302889187588908,
"volume": 660.3074926248181,
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"formula_full": "Rb4 Ca4 Br12",
"formula_reduced": "RbCaBr3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.0,
"spacegroup": 62
}
]
}