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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-energy_above_hull&page=4582",
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"results": [
{
"id": "jvasp-1933",
"created_at": "2022-09-04T14:36:36.030608Z",
"updated_at": "2022-09-04T14:36:36.030624Z",
"structure_string": "Cd1 Cl2\n1.0\n3.673988 -0.005572 5.035921\n1.637727 3.288779 5.035921\n-0.009016 -0.005572 6.233666\nCd Cl\n1 2\ndirect\n0.000000 0.000000 0.000000 Cd\n0.749684 0.749686 0.749684 Cl\n0.250315 0.250316 0.250315 Cl\n",
"nsites": 3,
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"elements": [
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"Cl"
],
"chemical_system": "Cd-Cl",
"density": 4.0273432869889145,
"density_atomic": 0.039690636719130874,
"volume": 75.58457732057498,
"volume_molar": 15.172698796986873,
"formula_full": "Cd1 Cl2",
"formula_reduced": "CdCl2",
"formula_anonymous": "AB2",
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"spacegroup": 166
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{
"id": "jvasp-93107",
"created_at": "2022-09-04T14:36:19.655848Z",
"updated_at": "2022-09-04T14:36:19.655878Z",
"structure_string": "Sr1 Mg6 Si1\n1.0\n7.455725 0.828512 0.000000\n-3.010350 5.214079 0.000000\n0.000000 0.000000 4.881361\nSr Mg Si\n1 6 1\ndirect\n0.099918 0.799959 0.250000 Sr\n0.625508 0.306221 0.250000 Mg\n0.625508 0.819285 0.250000 Mg\n0.347851 0.176031 0.750000 Mg\n0.347851 0.671821 0.750000 Mg\n0.911637 0.205819 0.750000 Mg\n0.769159 0.634580 0.750000 Mg\n0.272570 0.386285 0.250000 Si\n",
"nsites": 8,
"nelements": 3,
"elements": [
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"Mg",
"Si"
],
"chemical_system": "Mg-Si-Sr",
"density": 2.1506283504154826,
"density_atomic": 0.03961645483117776,
"volume": 201.93629223239023,
"volume_molar": 15.201109704699359,
"formula_full": "Sr1 Mg6 Si1",
"formula_reduced": "SrMg6Si",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0,
"spacegroup": 38
},
{
"id": "jvasp-69201",
"created_at": "2022-09-04T14:36:20.103694Z",
"updated_at": "2022-09-04T14:36:20.103738Z",
"structure_string": "Ba2 Na1 Ga1\n1.0\n0.000000 4.229965 4.229965\n4.229965 -0.000000 4.229965\n4.229965 4.229965 0.000000\nBa Na Ga\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750001 0.750001 0.750001 Ba\n0.500001 0.500001 0.500001 Na\n0.000000 0.000000 0.000000 Ga\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Na",
"Ga"
],
"chemical_system": "Ba-Ga-Na",
"density": 4.030033433111863,
"density_atomic": 0.02642528463601451,
"volume": 151.37017652209042,
"volume_molar": 22.789312747051895,
"formula_full": "Ba2 Na1 Ga1",
"formula_reduced": "Ba2NaGa",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-107853",
"created_at": "2022-09-04T14:36:36.070505Z",
"updated_at": "2022-09-04T14:36:36.070528Z",
"structure_string": "Rb2 Ag1 Au1 F6\n1.0\n5.416100 -0.000000 3.126987\n1.805367 5.106348 3.126987\n-0.000000 -0.000000 6.253973\nRb Ag Au F\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 Ag\n0.000000 0.000000 0.000000 Au\n0.751080 0.248921 0.248921 F\n0.248921 0.248921 0.751079 F\n0.248921 0.751080 0.751079 F\n0.248921 0.751080 0.248921 F\n0.751080 0.248921 0.751079 F\n0.751080 0.751080 0.248921 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Ag",
"Au",
"F"
],
"chemical_system": "Ag-Au-F-Rb",
"density": 5.662026612517222,
"density_atomic": 0.05781584998774943,
"volume": 172.96295050784335,
"volume_molar": 10.416072342231462,
"formula_full": "Rb2 Ag1 Au1 F6",
"formula_reduced": "Rb2AgAuF6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-64779",
"created_at": "2022-09-04T14:36:20.450322Z",
"updated_at": "2022-09-04T14:36:20.450347Z",
"structure_string": "Ba4 Be1 Cd1\n1.0\n0.000000 5.038373 5.038373\n5.038373 0.000000 5.038373\n5.038373 5.038373 0.000000\nBa Be Cd\n4 1 1\ndirect\n0.125600 0.624799 0.624799 Ba\n0.624799 0.624799 0.624799 Ba\n0.624799 0.125600 0.624799 Ba\n0.624799 0.624799 0.125600 Ba\n0.250000 0.250000 0.250000 Be\n0.000000 0.000000 0.000000 Cd\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Be",
"Cd"
],
"chemical_system": "Ba-Be-Cd",
"density": 4.354082471754358,
"density_atomic": 0.023455803074276797,
"volume": 255.8002376213672,
"volume_molar": 25.674417289955347,
"formula_full": "Ba4 Be1 Cd1",
"formula_reduced": "Ba4BeCd",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0,
"spacegroup": 216
},
{
"id": "jvasp-86994",
"created_at": "2022-09-04T14:36:09.757530Z",
"updated_at": "2022-09-04T14:36:09.757550Z",
"structure_string": "K2 Zn2 Sb2\n1.0\n4.576070 0.000000 0.000000\n-2.288035 3.962994 -0.000000\n0.000000 0.000000 10.383511\nK Zn Sb\n2 2 2\ndirect\n0.000000 0.000000 0.000000 K\n0.000000 0.000000 0.500000 K\n0.333332 0.666666 0.750000 Zn\n0.666667 0.333333 0.250000 Zn\n0.333332 0.666666 0.250000 Sb\n0.666667 0.333333 0.750000 Sb\n",
"nsites": 6,
"nelements": 3,
"elements": [
"K",
"Zn",
"Sb"
],
"chemical_system": "K-Sb-Zn",
"density": 3.9906219435613113,
"density_atomic": 0.0318633144149101,
"volume": 188.30432772531543,
"volume_molar": 18.899919454650338,
"formula_full": "K2 Zn2 Sb2",
"formula_reduced": "KZnSb",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0,
"spacegroup": 194
},
{
"id": "jvasp-103198",
"created_at": "2022-09-04T14:36:36.062989Z",
"updated_at": "2022-09-04T14:36:36.063009Z",
"structure_string": "K3 Rh1 F6\n1.0\n5.427326 0.000000 3.133468\n1.809109 5.116932 3.133468\n0.000000 0.000000 6.266936\nK Rh F\n3 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.750001 0.750000 0.750001 K\n0.500001 0.500000 0.500000 K\n0.000000 0.000000 0.000000 Rh\n0.224486 0.224486 0.775515 F\n0.224486 0.775514 0.775515 F\n0.775515 0.775514 0.224486 F\n0.224486 0.775514 0.224486 F\n0.775515 0.224486 0.775515 F\n0.775515 0.224486 0.224486 F\n",
"nsites": 10,
"nelements": 3,
"elements": [
"K",
"Rh",
"F"
],
"chemical_system": "F-K-Rh",
"density": 3.1885468191298654,
"density_atomic": 0.05745782549398674,
"volume": 174.0406970508578,
"volume_molar": 10.480975756087826,
"formula_full": "K3 Rh1 F6",
"formula_reduced": "K3RhF6",
"formula_anonymous": "AB3C6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-100504",
"created_at": "2022-09-04T14:36:37.028802Z",
"updated_at": "2022-09-04T14:36:37.028813Z",
"structure_string": "Sr2 Li1 Ga1\n1.0\n4.839149 -0.000000 2.793884\n1.613050 4.562394 2.793884\n0.000000 0.000000 5.587768\nSr Li Ga\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Sr\n0.750000 0.749999 0.749999 Sr\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.499999 Ga\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sr",
"Li",
"Ga"
],
"chemical_system": "Ga-Li-Sr",
"density": 3.390658205761948,
"density_atomic": 0.03242349623857323,
"volume": 123.36732505858897,
"volume_molar": 18.573384917187454,
"formula_full": "Sr2 Li1 Ga1",
"formula_reduced": "Sr2LiGa",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-87141",
"created_at": "2022-09-04T14:36:19.629719Z",
"updated_at": "2022-09-04T14:36:19.629746Z",
"structure_string": "Rb2 Cd26\n1.0\n8.603444 0.000000 4.967201\n2.867814 8.111404 4.967201\n-0.000000 -0.000000 9.934401\nRb Cd\n2 26\ndirect\n0.250000 0.250000 0.250000 Rb\n0.749999 0.750000 0.750000 Rb\n0.802125 0.197874 0.557916 Cd\n0.557915 0.442084 0.802126 Cd\n0.442084 0.557915 0.197874 Cd\n0.302126 0.057915 0.697874 Cd\n0.057915 0.697874 0.302126 Cd\n0.697874 0.302126 0.057916 Cd\n0.302126 0.697874 0.942085 Cd\n0.302125 0.942084 0.057916 Cd\n0.942084 0.697874 0.057916 Cd\n0.197874 0.557915 0.802126 Cd\n0.197874 0.442084 0.557916 Cd\n0.442084 0.802126 0.557916 Cd\n0.557915 0.802126 0.197874 Cd\n0.802125 0.557915 0.442085 Cd\n0.557915 0.197874 0.442085 Cd\n0.802125 0.442084 0.197874 Cd\n0.442084 0.197874 0.802126 Cd\n0.942084 0.057915 0.302126 Cd\n0.057915 0.942084 0.697874 Cd\n0.057915 0.302126 0.942085 Cd\n0.697873 0.942084 0.302126 Cd\n0.942084 0.302126 0.697874 Cd\n0.697874 0.057915 0.942085 Cd\n0.197874 0.802126 0.442085 Cd\n0.000000 0.000000 0.000000 Cd\n0.500000 0.500000 0.500000 Cd\n",
"nsites": 28,
"nelements": 2,
"elements": [
"Rb",
"Cd"
],
"chemical_system": "Cd-Rb",
"density": 7.409795697528645,
"density_atomic": 0.04038759348738243,
"volume": 693.2822082788254,
"volume_molar": 14.910868016638299,
"formula_full": "Rb2 Cd26",
"formula_reduced": "RbCd13",
"formula_anonymous": "AB13",
"energy_above_hull": 0.0,
"spacegroup": 226
},
{
"id": "jvasp-17898",
"created_at": "2022-09-04T14:36:37.252816Z",
"updated_at": "2022-09-04T14:36:37.252851Z",
"structure_string": "Zn1 Fe1 F6\n1.0\n4.461214 0.065712 2.932359\n1.615327 4.159022 2.932359\n0.094516 0.065711 5.337811\nZn Fe F\n1 1 6\ndirect\n0.500001 0.499999 0.500000 Zn\n0.000000 0.000000 0.000000 Fe\n0.370219 0.105789 0.763405 F\n0.105790 0.763405 0.370219 F\n0.236596 0.629781 0.894211 F\n0.894211 0.236594 0.629782 F\n0.629782 0.894210 0.236595 F\n0.763405 0.370218 0.105790 F\n",
"nsites": 8,
"nelements": 3,
"elements": [
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"Fe",
"F"
],
"chemical_system": "F-Fe-Zn",
"density": 4.035883841284578,
"density_atomic": 0.08265330391012958,
"volume": 96.78983926279031,
"volume_molar": 7.286025452228724,
"formula_full": "Zn1 Fe1 F6",
"formula_reduced": "ZnFeF6",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0,
"spacegroup": 148
},
{
"id": "jvasp-97694",
"created_at": "2022-09-04T14:36:20.800988Z",
"updated_at": "2022-09-04T14:36:20.801005Z",
"structure_string": "Tl6 Cd4 I14\n1.0\n4.560960 0.000000 0.000000\n0.000000 13.699295 0.000000\n0.000000 0.000000 14.992255\nTl Cd I\n6 4 14\ndirect\n0.000000 0.888434 0.857155 Tl\n0.000000 0.388434 0.642845 Tl\n0.000000 0.611566 0.357155 Tl\n0.000000 0.500000 0.000000 Tl\n0.000000 0.000000 0.500000 Tl\n0.000000 0.111566 0.142845 Tl\n0.500000 0.230288 0.892041 Cd\n0.500000 0.769712 0.107959 Cd\n0.500000 0.269712 0.392041 Cd\n0.500000 0.730288 0.607959 Cd\n0.000000 0.847744 0.200186 I\n0.000000 0.347744 0.299814 I\n0.500000 0.571115 0.181204 I\n0.500000 0.428886 0.818796 I\n0.000000 0.152256 0.799814 I\n0.500000 0.071114 0.318796 I\n0.500000 0.798782 0.431550 I\n0.500000 0.201218 0.568449 I\n0.000000 0.652257 0.700186 I\n0.500000 0.701218 0.931550 I\n0.500000 0.000000 0.000000 I\n0.500000 0.500000 0.500000 I\n0.500000 0.928886 0.681203 I\n0.500000 0.298782 0.068450 I\n",
"nsites": 24,
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"elements": [
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"Cd",
"I"
],
"chemical_system": "Cd-I-Tl",
"density": 6.120328380737078,
"density_atomic": 0.025620629724231958,
"volume": 936.7451252496277,
"volume_molar": 23.505045835404534,
"formula_full": "Tl6 Cd4 I14",
"formula_reduced": "Tl3Cd2I7",
"formula_anonymous": "A2B3C7",
"energy_above_hull": 0.0,
"spacegroup": 55
},
{
"id": "jvasp-94896",
"created_at": "2022-09-04T14:36:19.576199Z",
"updated_at": "2022-09-04T14:36:19.576225Z",
"structure_string": "Ca1 Cd2 Au4\n1.0\n-0.000000 0.000000 -5.596504\n-3.601473 3.601473 -2.798252\n3.601473 3.601473 -2.798252\nCa Cd Au\n1 2 4\ndirect\n0.000000 0.000000 0.000000 Ca\n0.250000 0.500000 0.500000 Cd\n0.749999 0.500000 0.500000 Cd\n0.697226 0.000000 0.605547 Au\n0.302774 0.000000 0.394452 Au\n0.697226 0.605547 0.000000 Au\n0.302774 0.394452 0.000000 Au\n",
"nsites": 7,
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"elements": [
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"Cd",
"Au"
],
"chemical_system": "Au-Ca-Cd",
"density": 12.041315099223192,
"density_atomic": 0.048215969013113064,
"volume": 145.18011653143887,
"volume_molar": 12.48992996150754,
"formula_full": "Ca1 Cd2 Au4",
"formula_reduced": "Ca(CdAu2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 0.0,
"spacegroup": 139
}
]
}