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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-density_atomic&page=4131",
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"results": [
{
"id": "jvasp-25337",
"created_at": "2022-09-04T14:37:55.447632Z",
"updated_at": "2022-09-04T14:37:55.447646Z",
"structure_string": "Tl2\n1.0\n3.558386 -0.000000 -0.000000\n-1.779192 3.081652 0.000000\n0.000000 0.000000 5.576418\nTl\n2\ndirect\n0.333334 0.666667 0.250000 Tl\n0.666668 0.333333 0.750000 Tl\n",
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"formula_full": "Tl2",
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{
"id": "jvasp-14822",
"created_at": "2022-09-04T14:36:22.360563Z",
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"structure_string": "Tl2\n1.0\n1.779195 -3.081656 0.000000\n1.779195 3.081656 -0.000000\n0.000000 -0.000000 5.576406\nTl\n2\ndirect\n0.333331 0.666666 0.750001 Tl\n0.666666 0.333331 0.250000 Tl\n",
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{
"id": "jvasp-65165",
"created_at": "2022-09-04T14:36:10.413381Z",
"updated_at": "2022-09-04T14:36:10.413404Z",
"structure_string": "Hf1 Be1 Bi4\n1.0\n0.000000 4.510138 4.510138\n4.510138 0.000000 4.510138\n4.510138 4.510138 0.000000\nHf Be Bi\n1 1 4\ndirect\n0.250000 0.250000 0.250000 Hf\n0.000000 0.000000 0.000000 Be\n0.124230 0.625257 0.625257 Bi\n0.625257 0.625257 0.625257 Bi\n0.625257 0.124230 0.625257 Bi\n0.625257 0.625257 0.124230 Bi\n",
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"elements": [
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],
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"density_atomic": 0.03270030197277499,
"volume": 183.48454411813594,
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"formula_full": "Hf1 Be1 Bi4",
"formula_reduced": "HfBeBi4",
"formula_anonymous": "ABC4",
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"spacegroup": 216
},
{
"id": "jvasp-57094",
"created_at": "2022-09-04T14:37:01.223664Z",
"updated_at": "2022-09-04T14:37:01.223690Z",
"structure_string": "Rb4 Sb8 S14\n1.0\n-7.451904 -0.087444 -0.045690\n2.234684 9.381099 -0.177731\n-0.543869 -1.820371 -11.372077\nRb Sb S\n4 8 14\ndirect\n0.287116 0.331923 0.107732 Rb\n0.418896 0.724446 0.559106 Rb\n0.581105 0.275555 0.440894 Rb\n0.712885 0.668077 0.892268 Rb\n0.501220 0.804090 0.233896 Sb\n0.862024 0.562783 0.187593 Sb\n0.959658 0.044258 0.659483 Sb\n0.256184 0.865006 0.950520 Sb\n0.743816 0.134995 0.049480 Sb\n0.137977 0.437217 0.812407 Sb\n0.040342 0.955743 0.340517 Sb\n0.498780 0.195910 0.766104 Sb\n0.945527 0.299625 0.641768 S\n0.762540 0.979132 0.458734 S\n0.110276 0.678026 0.767476 S\n0.889724 0.321975 0.232524 S\n0.553391 0.936810 0.843850 S\n0.446610 0.063191 0.156150 S\n0.818522 0.867935 0.145448 S\n0.054473 0.700376 0.358232 S\n0.237460 0.020869 0.541266 S\n0.439968 0.438612 0.706592 S\n0.669226 0.335874 0.948533 S\n0.560032 0.561389 0.293408 S\n0.330775 0.664127 0.051467 S\n0.181479 0.132065 0.854552 S\n",
"nsites": 26,
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"elements": [
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"Sb",
"S"
],
"chemical_system": "Rb-S-Sb",
"density": 3.685752894436023,
"density_atomic": 0.03269940952626094,
"volume": 795.121391385351,
"volume_molar": 18.416665154652442,
"formula_full": "Rb4 Sb8 S14",
"formula_reduced": "Rb2Sb4S7",
"formula_anonymous": "A2B4C7",
"energy_above_hull": 1.6368818769230769,
"spacegroup": 2
},
{
"id": "jvasp-107609",
"created_at": "2022-09-04T14:36:59.046074Z",
"updated_at": "2022-09-04T14:36:59.046094Z",
"structure_string": "K2 Ag1 Bi1 Cl6\n1.0\n6.549403 -0.000000 3.781300\n2.183134 6.174837 3.781300\n-0.000000 -0.000000 7.562600\nK Ag Bi Cl\n2 1 1 6\ndirect\n0.749999 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.499999 0.500000 0.500000 Ag\n0.000000 0.000000 0.000000 Bi\n0.747585 0.252415 0.252415 Cl\n0.252415 0.252415 0.747585 Cl\n0.252414 0.747586 0.747585 Cl\n0.252414 0.747586 0.252415 Cl\n0.747585 0.252415 0.747585 Cl\n0.747584 0.747586 0.252415 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Ag",
"Bi",
"Cl"
],
"chemical_system": "Ag-Bi-Cl-K",
"density": 3.299781284050941,
"density_atomic": 0.0326965294651528,
"volume": 305.84285744019917,
"volume_molar": 18.418287379454927,
"formula_full": "K2 Ag1 Bi1 Cl6",
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"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-36893",
"created_at": "2022-09-04T14:38:02.468193Z",
"updated_at": "2022-09-04T14:38:02.468214Z",
"structure_string": "Rb1 Ca1 Cl3\n1.0\n5.347837 0.000532 0.004973\n-0.000137 5.347399 0.001546\n-0.007136 -0.003307 5.347737\nRb Ca Cl\n1 1 3\ndirect\n0.988571 -0.000170 0.997816 Rb\n0.487985 0.500026 0.498054 Ca\n0.487851 0.000036 0.498366 Cl\n0.987944 0.499828 0.497708 Cl\n0.487652 0.500277 0.998057 Cl\n",
"nsites": 5,
"nelements": 3,
"elements": [
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"Ca",
"Cl"
],
"chemical_system": "Ca-Cl-Rb",
"density": 2.518067830972084,
"density_atomic": 0.032694793136196804,
"volume": 152.92954994917645,
"volume_molar": 18.41926552314783,
"formula_full": "Rb1 Ca1 Cl3",
"formula_reduced": "RbCaCl3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.0030719999999999,
"spacegroup": 221
},
{
"id": "jvasp-40505",
"created_at": "2022-09-04T14:38:06.123378Z",
"updated_at": "2022-09-04T14:38:06.123395Z",
"structure_string": "Ba2 Hg6\n1.0\n3.613616 -6.258967 0.000000\n3.613616 6.258967 0.000000\n-0.000000 -0.000000 5.410766\nBa Hg\n2 6\ndirect\n0.333333 0.666668 0.750001 Ba\n0.666668 0.333333 0.250000 Ba\n0.695259 0.847630 0.250000 Hg\n0.152371 0.847630 0.250000 Hg\n0.152371 0.304742 0.250000 Hg\n0.304742 0.152371 0.750001 Hg\n0.847630 0.152371 0.750001 Hg\n0.847630 0.695259 0.750001 Hg\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ba",
"Hg"
],
"chemical_system": "Ba-Hg",
"density": 10.028757323024365,
"density_atomic": 0.03268560866462973,
"volume": 244.75603566339848,
"volume_molar": 18.424441232807073,
"formula_full": "Ba2 Hg6",
"formula_reduced": "BaHg3",
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"spacegroup": 194
},
{
"id": "jvasp-86881",
"created_at": "2022-09-04T14:35:49.553065Z",
"updated_at": "2022-09-04T14:35:49.553101Z",
"structure_string": "Ca3 Si1 Br2\n1.0\n4.363838 0.064290 10.666128\n2.149699 3.798158 10.666128\n0.108418 0.064290 11.523784\nCa Si Br\n3 1 2\ndirect\n0.124154 0.124154 0.124154 Ca\n0.000000 0.000000 0.000000 Ca\n0.875847 0.875846 0.875845 Ca\n0.500000 0.500000 0.499999 Si\n0.714702 0.714702 0.714701 Br\n0.285298 0.285298 0.285298 Br\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ca",
"Si",
"Br"
],
"chemical_system": "Br-Ca-Si",
"density": 2.7872210837936993,
"density_atomic": 0.03268459524381166,
"volume": 183.57271843946148,
"volume_molar": 18.42501250230474,
"formula_full": "Ca3 Si1 Br2",
"formula_reduced": "Ca3SiBr2",
"formula_anonymous": "AB2C3",
"energy_above_hull": 0.1154113449999999,
"spacegroup": 166
},
{
"id": "jvasp-86279",
"created_at": "2022-09-04T14:36:02.346597Z",
"updated_at": "2022-09-04T14:36:02.346620Z",
"structure_string": "Ca3 Si1 Br2\n1.0\n4.363838 0.064290 10.666128\n2.149699 3.798158 10.666128\n0.108418 0.064290 11.523784\nCa Si Br\n3 1 2\ndirect\n0.124154 0.124154 0.124154 Ca\n0.000000 0.000000 0.000000 Ca\n0.875847 0.875846 0.875845 Ca\n0.500000 0.500000 0.499999 Si\n0.714702 0.714702 0.714701 Br\n0.285298 0.285298 0.285298 Br\n",
"nsites": 6,
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"elements": [
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"Si",
"Br"
],
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"volume": 183.57271843946148,
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"formula_full": "Ca3 Si1 Br2",
"formula_reduced": "Ca3SiBr2",
"formula_anonymous": "AB2C3",
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"spacegroup": 166
},
{
"id": "jvasp-36945",
"created_at": "2022-09-04T14:38:18.074851Z",
"updated_at": "2022-09-04T14:38:18.074863Z",
"structure_string": "In2 Pb2 Cl6\n1.0\n0.000000 4.265888 0.000868\n10.737151 0.000000 0.000000\n0.000000 -2.131937 -6.680529\nIn Pb Cl\n2 2 6\ndirect\n0.749324 0.250000 0.499024 In\n0.250676 0.750000 0.500976 In\n0.000000 0.000000 0.000000 Pb\n0.000000 0.500000 0.000000 Pb\n0.642130 0.944953 0.284231 Cl\n0.357870 0.444954 0.715769 Cl\n0.642130 0.555046 0.284231 Cl\n0.357870 0.055046 0.715769 Cl\n0.077953 0.250000 0.156189 Cl\n0.922047 0.750000 0.843811 Cl\n",
"nsites": 10,
"nelements": 3,
"elements": [
"In",
"Pb",
"Cl"
],
"chemical_system": "Cl-In-Pb",
"density": 4.649690828837334,
"density_atomic": 0.03268276853264307,
"volume": 305.9716311980164,
"volume_molar": 18.426042316412623,
"formula_full": "In2 Pb2 Cl6",
"formula_reduced": "InPbCl3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.0,
"spacegroup": 63
},
{
"id": "jvasp-98249",
"created_at": "2022-09-04T14:36:18.357719Z",
"updated_at": "2022-09-04T14:36:18.357733Z",
"structure_string": "Rb8 Sb4 Au4 S16\n1.0\n6.727327 -0.000000 0.000000\n0.000000 7.203863 0.000000\n0.000000 0.000000 20.203469\nRb Sb Au S\n8 4 4 16\ndirect\n0.299449 0.750000 0.011911 Rb\n0.909498 0.250000 0.670910 Rb\n0.700552 0.250000 0.988089 Rb\n0.299449 0.250000 0.488089 Rb\n0.090502 0.750000 0.329090 Rb\n0.090502 0.250000 0.170910 Rb\n0.700552 0.750000 0.511911 Rb\n0.909498 0.750000 0.829090 Rb\n0.793568 0.750000 0.109549 Sb\n0.793568 0.250000 0.390451 Sb\n0.206432 0.250000 0.890451 Sb\n0.206432 0.750000 0.609549 Sb\n0.597138 0.500000 0.250000 Au\n0.402862 0.500000 0.750000 Au\n0.597138 0.000000 0.250000 Au\n0.402862 0.000000 0.750000 Au\n0.801652 0.750000 0.993108 S\n0.897187 0.750000 0.662413 S\n0.399123 0.523862 0.864325 S\n0.600877 0.023862 0.135675 S\n0.399123 0.476138 0.635675 S\n0.198348 0.750000 0.493108 S\n0.897187 0.250000 0.837587 S\n0.198348 0.250000 0.006892 S\n0.600877 0.976137 0.364325 S\n0.102814 0.250000 0.337587 S\n0.399123 0.023862 0.635675 S\n0.801652 0.250000 0.506892 S\n0.600877 0.523862 0.364325 S\n0.102814 0.750000 0.162413 S\n0.600877 0.476138 0.135675 S\n0.399123 0.976137 0.864325 S\n",
"nsites": 32,
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"elements": [
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"S"
],
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"density": 4.191880914806384,
"density_atomic": 0.03268255866941771,
"volume": 979.1155069490809,
"volume_molar": 18.426160634831636,
"formula_full": "Rb8 Sb4 Au4 S16",
"formula_reduced": "Rb2SbAuS4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 1.03596545875,
"spacegroup": 57
},
{
"id": "jvasp-11196",
"created_at": "2022-09-04T14:37:12.440724Z",
"updated_at": "2022-09-04T14:37:12.440750Z",
"structure_string": "Ba4 Si2 Se8\n1.0\n0.000000 6.945584 0.062333\n7.068939 0.000000 0.000000\n0.000000 -2.963601 -8.751413\nBa Si Se\n4 2 8\ndirect\n0.704573 0.750000 0.918629 Ba\n0.295427 0.250000 0.081371 Ba\n0.790075 0.750000 0.457619 Ba\n0.209925 0.250000 0.542381 Ba\n0.199702 0.750000 0.285279 Si\n0.800298 0.250000 0.714721 Si\n0.988379 0.005757 0.223312 Se\n0.011621 0.505757 0.776688 Se\n0.643546 0.250000 0.451946 Se\n0.356454 0.750000 0.548054 Se\n0.589656 0.250000 0.861130 Se\n0.410343 0.750000 0.138870 Se\n0.988379 0.494243 0.223312 Se\n0.011621 0.994243 0.776688 Se\n",
"nsites": 14,
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"elements": [
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],
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"density": 4.795736647944426,
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"volume": 428.37023838169597,
"volume_molar": 18.42647052092377,
"formula_full": "Ba4 Si2 Se8",
"formula_reduced": "Ba2SiSe4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.1208277152380952,
"spacegroup": 11
}
]
}