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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_reduced&page=4405",
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{
"id": "jvasp-64144",
"created_at": "2022-09-04T14:35:57.270717Z",
"updated_at": "2022-09-04T14:35:57.270740Z",
"structure_string": "Ba4 Cd1 Hg1\n1.0\n-0.000000 5.075244 5.075244\n5.075244 0.000000 5.075244\n5.075244 5.075244 0.000000\nBa Cd Hg\n4 1 1\ndirect\n0.124623 0.625126 0.625126 Ba\n0.625126 0.625126 0.625126 Ba\n0.625126 0.124623 0.625126 Ba\n0.625126 0.625126 0.124623 Ba\n0.250000 0.250000 0.250000 Cd\n0.000000 0.000000 0.000000 Hg\n",
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"formula_full": "Ba4 Cd1 Hg1",
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{
"id": "jvasp-64249",
"created_at": "2022-09-04T14:38:08.712475Z",
"updated_at": "2022-09-04T14:38:08.712503Z",
"structure_string": "Ba4 Cd1 Ge1\n1.0\n-0.000000 4.983217 4.983217\n4.983217 0.000000 4.983217\n4.983217 4.983217 -0.000000\nBa Cd Ge\n4 1 1\ndirect\n0.121925 0.626025 0.626025 Ba\n0.626025 0.626025 0.626025 Ba\n0.626025 0.121925 0.626025 Ba\n0.626025 0.626025 0.121925 Ba\n0.250000 0.250000 0.250000 Cd\n0.000000 0.000000 0.000000 Ge\n",
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"elements": [
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"chemical_system": "Ba-Cd-Ge",
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"formula_full": "Ba4 Cd1 Ge1",
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{
"id": "jvasp-66668",
"created_at": "2022-09-04T14:36:22.218732Z",
"updated_at": "2022-09-04T14:36:22.218762Z",
"structure_string": "Ba4 Cd1 Fe1\n1.0\n0.000000 4.938521 4.938521\n4.938521 -0.000000 4.938521\n4.938521 4.938521 0.000000\nBa Cd Fe\n4 1 1\ndirect\n0.123539 0.625487 0.625487 Ba\n0.625487 0.625487 0.625487 Ba\n0.625487 0.123539 0.625487 Ba\n0.625487 0.625487 0.123539 Ba\n0.250000 0.250000 0.250000 Cd\n0.000000 0.000000 0.000000 Fe\n",
"nsites": 6,
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"elements": [
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],
"chemical_system": "Ba-Cd-Fe",
"density": 4.946397675324922,
"density_atomic": 0.02490752300787458,
"volume": 240.89107528288076,
"volume_molar": 24.177999386354415,
"formula_full": "Ba4 Cd1 Fe1",
"formula_reduced": "Ba4CdFe",
"formula_anonymous": "ABC4",
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"spacegroup": 216
},
{
"id": "jvasp-64870",
"created_at": "2022-09-04T14:38:13.048089Z",
"updated_at": "2022-09-04T14:38:13.048118Z",
"structure_string": "Ba4 Cd1 Cu1\n1.0\n-0.000000 5.144214 5.144214\n5.144214 -0.000000 5.144214\n5.144214 5.144214 0.000000\nBa Cd Cu\n4 1 1\ndirect\n0.125111 0.624963 0.624963 Ba\n0.624963 0.624963 0.624963 Ba\n0.624963 0.125111 0.624963 Ba\n0.624963 0.624963 0.125111 Ba\n0.250000 0.250000 0.250000 Cd\n0.000000 0.000000 0.000000 Cu\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Cd",
"Cu"
],
"chemical_system": "Ba-Cd-Cu",
"density": 4.423425736997913,
"density_atomic": 0.022037593794390076,
"volume": 272.2620289664913,
"volume_molar": 27.32667103399013,
"formula_full": "Ba4 Cd1 Cu1",
"formula_reduced": "Ba4CdCu",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0,
"spacegroup": 216
},
{
"id": "jvasp-64759",
"created_at": "2022-09-04T14:36:07.536239Z",
"updated_at": "2022-09-04T14:36:07.536266Z",
"structure_string": "Ba4 Cd1 Co1\n1.0\n0.000000 4.919715 4.919715\n4.919715 0.000000 4.919715\n4.919715 4.919715 -0.000000\nBa Cd Co\n4 1 1\ndirect\n0.123210 0.625597 0.625597 Ba\n0.625597 0.625597 0.625597 Ba\n0.625597 0.123210 0.625597 Ba\n0.625597 0.625597 0.123210 Ba\n0.250000 0.250000 0.250000 Cd\n0.000000 0.000000 0.000000 Co\n",
"nsites": 6,
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"elements": [
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"Cd",
"Co"
],
"chemical_system": "Ba-Cd-Co",
"density": 5.024871745834358,
"density_atomic": 0.025194249188252724,
"volume": 238.1495854537157,
"volume_molar": 23.90283875896541,
"formula_full": "Ba4 Cd1 Co1",
"formula_reduced": "Ba4CdCo",
"formula_anonymous": "ABC4",
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"spacegroup": 216
},
{
"id": "jvasp-64208",
"created_at": "2022-09-04T14:36:04.131486Z",
"updated_at": "2022-09-04T14:36:04.131509Z",
"structure_string": "Ba4 Cd1 Bi1\n1.0\n0.000000 5.060595 5.060595\n5.060595 -0.000000 5.060595\n5.060595 5.060595 0.000000\nBa Cd Bi\n4 1 1\ndirect\n0.128754 0.623749 0.623749 Ba\n0.623749 0.623749 0.623749 Ba\n0.623749 0.128754 0.623749 Ba\n0.623749 0.623749 0.128754 Ba\n0.000000 0.000000 0.000000 Cd\n0.250000 0.250000 0.250000 Bi\n",
"nsites": 6,
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"elements": [
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"chemical_system": "Ba-Bi-Cd",
"density": 5.578052542657899,
"density_atomic": 0.023148161758354522,
"volume": 259.19984760062033,
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"formula_full": "Ba4 Cd1 Bi1",
"formula_reduced": "Ba4CdBi",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0139686566666666,
"spacegroup": 216
},
{
"id": "jvasp-64115",
"created_at": "2022-09-04T14:36:05.523677Z",
"updated_at": "2022-09-04T14:36:05.523756Z",
"structure_string": "Ba4 Ca1 W1\n1.0\n-0.000000 4.935203 4.935203\n4.935203 0.000000 4.935203\n4.935203 4.935203 -0.000000\nBa Ca W\n4 1 1\ndirect\n0.119344 0.626885 0.626885 Ba\n0.626885 0.626885 0.626885 Ba\n0.626885 0.119344 0.626885 Ba\n0.626885 0.626885 0.119344 Ba\n0.250000 0.250000 0.250000 Ca\n0.000000 0.000000 0.000000 W\n",
"nsites": 6,
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"elements": [
"Ba",
"Ca",
"W"
],
"chemical_system": "Ba-Ca-W",
"density": 5.340851306134487,
"density_atomic": 0.02495779372774845,
"volume": 240.40586541626513,
"volume_molar": 24.129299351106074,
"formula_full": "Ba4 Ca1 W1",
"formula_reduced": "Ba4CaW",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.4067557166666664,
"spacegroup": 216
},
{
"id": "jvasp-64320",
"created_at": "2022-09-04T14:38:07.895096Z",
"updated_at": "2022-09-04T14:38:07.895123Z",
"structure_string": "Ba4 Ca1 V1\n1.0\n-0.000000 5.123557 5.123557\n5.123557 -0.000000 5.123557\n5.123557 5.123557 0.000000\nBa Ca V\n4 1 1\ndirect\n0.120515 0.626495 0.626495 Ba\n0.626495 0.626495 0.626495 Ba\n0.626495 0.120515 0.626495 Ba\n0.626495 0.626495 0.120515 Ba\n0.250000 0.250000 0.250000 Ca\n0.000000 0.000000 0.000000 V\n",
"nsites": 6,
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"elements": [
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"Ca",
"V"
],
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"density": 3.9528154573338132,
"density_atomic": 0.02230522139742019,
"volume": 268.9953124918974,
"volume_molar": 26.998793926773207,
"formula_full": "Ba4 Ca1 V1",
"formula_reduced": "Ba4CaV",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.7098130833333333,
"spacegroup": 216
},
{
"id": "jvasp-64413",
"created_at": "2022-09-04T14:36:15.842034Z",
"updated_at": "2022-09-04T14:36:15.842068Z",
"structure_string": "Ba4 Ca1 Tc1\n1.0\n0.000000 4.958046 4.958046\n4.958046 0.000000 4.958046\n4.958046 4.958046 -0.000000\nBa Ca Tc\n4 1 1\ndirect\n0.119364 0.626879 0.626879 Ba\n0.626879 0.626879 0.626879 Ba\n0.626879 0.119364 0.626879 Ba\n0.626879 0.626879 0.119364 Ba\n0.250000 0.250000 0.250000 Ca\n0.000000 0.000000 0.000000 Tc\n",
"nsites": 6,
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"elements": [
"Ba",
"Ca",
"Tc"
],
"chemical_system": "Ba-Ca-Tc",
"density": 4.682611518659341,
"density_atomic": 0.024614419583327864,
"volume": 243.75955645381103,
"volume_molar": 24.465906009333608,
"formula_full": "Ba4 Ca1 Tc1",
"formula_reduced": "Ba4CaTc",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.9226426333333332,
"spacegroup": 216
},
{
"id": "jvasp-64375",
"created_at": "2022-09-04T14:35:42.513407Z",
"updated_at": "2022-09-04T14:35:42.513418Z",
"structure_string": "Ba4 Ca1 Ta1\n1.0\n0.000000 5.098612 5.098612\n5.098612 0.000000 5.098612\n5.098612 5.098612 0.000000\nBa Ca Ta\n4 1 1\ndirect\n0.120412 0.626529 0.626529 Ba\n0.626529 0.626529 0.626529 Ba\n0.626529 0.120412 0.626529 Ba\n0.626529 0.626529 0.120412 Ba\n0.250000 0.250000 0.250000 Ca\n0.000000 0.000000 0.000000 Ta\n",
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"elements": [
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],
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"density": 4.825498771524184,
"density_atomic": 0.022634211167787275,
"volume": 265.08544766689835,
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"formula_full": "Ba4 Ca1 Ta1",
"formula_reduced": "Ba4CaTa",
"formula_anonymous": "ABC4",
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"spacegroup": 216
},
{
"id": "jvasp-64780",
"created_at": "2022-09-04T14:35:42.223568Z",
"updated_at": "2022-09-04T14:35:42.223589Z",
"structure_string": "Ba4 Ca1 Sn1\n1.0\n0.000000 5.160848 5.160848\n5.160848 0.000000 5.160848\n5.160848 5.160848 0.000000\nBa Ca Sn\n4 1 1\ndirect\n0.119196 0.626935 0.626935 Ba\n0.626935 0.626935 0.626935 Ba\n0.626935 0.119196 0.626935 Ba\n0.626935 0.626935 0.119196 Ba\n0.250000 0.250000 0.250000 Ca\n0.000000 0.000000 0.000000 Sn\n",
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"elements": [
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],
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"density": 4.2770865470680395,
"density_atomic": 0.02182519085382257,
"volume": 274.9116853174794,
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"formula_full": "Ba4 Ca1 Sn1",
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"formula_anonymous": "ABC4",
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{
"id": "jvasp-64238",
"created_at": "2022-09-04T14:35:41.011219Z",
"updated_at": "2022-09-04T14:35:41.011239Z",
"structure_string": "Ba4 Ca1 Ru1\n1.0\n-0.000000 4.998304 4.998304\n4.998304 0.000000 4.998304\n4.998304 4.998304 -0.000000\nBa Ca Ru\n4 1 1\ndirect\n0.119089 0.626970 0.626970 Ba\n0.626970 0.626970 0.626970 Ba\n0.626970 0.119089 0.626970 Ba\n0.626970 0.626970 0.119089 Ba\n0.250000 0.250000 0.250000 Ca\n0.000000 0.000000 0.000000 Ru\n",
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"elements": [
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],
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"density": 4.590786647143315,
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"volume": 249.7456862827232,
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"formula_full": "Ba4 Ca1 Ru1",
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}