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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=energy_above_hull&page=110",
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"results": [
{
"id": "jvasp-98569",
"created_at": "2022-09-04T14:35:58.364438Z",
"updated_at": "2022-09-04T14:35:58.364464Z",
"structure_string": "Mg10 Tl4\n1.0\n5.777345 -0.000226 -2.228512\n-1.212274 6.560206 -3.138153\n0.007768 -0.017831 8.613445\nMg Tl\n10 4\ndirect\n0.413826 0.075542 0.827894 Mg\n0.482628 0.732567 0.465024 Mg\n0.249982 0.500027 0.000021 Mg\n0.086073 0.247700 0.172090 Mg\n0.586175 0.924458 0.172106 Mg\n0.517372 0.267433 0.534976 Mg\n0.017396 0.267555 0.534919 Mg\n0.982604 0.732445 0.465082 Mg\n0.913927 0.752300 0.827910 Mg\n0.750018 0.499973 -0.000020 Mg\n0.622335 0.354148 0.244715 Tl\n0.877595 0.109378 0.755210 Tl\n0.122405 0.890622 0.244790 Tl\n0.377665 0.645853 0.755285 Tl\n",
"nsites": 14,
"nelements": 2,
"elements": [
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"Tl"
],
"chemical_system": "Mg-Tl",
"density": 5.399052155425007,
"density_atomic": 0.04291920981446966,
"volume": 326.19426267442793,
"volume_molar": 14.031341178070136,
"formula_full": "Mg10 Tl4",
"formula_reduced": "Mg5Tl2",
"formula_anonymous": "A2B5",
"energy_above_hull": 0.0,
"spacegroup": 72
},
{
"id": "jvasp-93090",
"created_at": "2022-09-04T14:35:54.197877Z",
"updated_at": "2022-09-04T14:35:54.197903Z",
"structure_string": "Mg6 Ga1 Si1\n1.0\n6.137309 -0.061782 0.000000\n-3.122160 5.284174 0.000000\n0.000000 0.000000 5.097184\nMg Ga Si\n6 1 1\ndirect\n0.159102 0.853602 0.250000 Mg\n0.646397 0.340897 0.250000 Mg\n0.659390 0.840610 0.250000 Mg\n0.338435 0.642011 0.749999 Mg\n0.857989 0.161565 0.749999 Mg\n0.838787 0.661213 0.749999 Mg\n0.360176 0.139824 0.749999 Ga\n0.139723 0.360277 0.250000 Si\n",
"nsites": 8,
"nelements": 3,
"elements": [
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"Ga",
"Si"
],
"chemical_system": "Ga-Mg-Si",
"density": 2.462070286661022,
"density_atomic": 0.048685027472784796,
"volume": 164.32156692264465,
"volume_molar": 12.369595073899077,
"formula_full": "Mg6 Ga1 Si1",
"formula_reduced": "Mg6GaSi",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0,
"spacegroup": 38
},
{
"id": "jvasp-93127",
"created_at": "2022-09-04T14:36:05.785706Z",
"updated_at": "2022-09-04T14:36:05.785732Z",
"structure_string": "Ce1 Mg6 Cd1\n1.0\n6.884958 -0.307869 0.000000\n-3.709102 5.808614 0.000000\n0.000000 0.000000 5.027364\nCe Mg Cd\n1 6 1\ndirect\n0.190548 0.309451 0.250000 Ce\n0.172193 0.812520 0.250000 Mg\n0.687479 0.327807 0.250000 Mg\n0.650695 0.849304 0.250000 Mg\n0.315437 0.672167 0.749999 Mg\n0.827833 0.184563 0.749999 Mg\n0.804266 0.695733 0.749999 Mg\n0.351547 0.148453 0.749999 Cd\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ce",
"Mg",
"Cd"
],
"chemical_system": "Cd-Ce-Mg",
"density": 3.386792313550202,
"density_atomic": 0.04095972214698615,
"volume": 195.31382491540282,
"volume_molar": 14.702591825181887,
"formula_full": "Ce1 Mg6 Cd1",
"formula_reduced": "CeMg6Cd",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0,
"spacegroup": 38
},
{
"id": "jvasp-93169",
"created_at": "2022-09-04T14:36:03.898880Z",
"updated_at": "2022-09-04T14:36:03.898904Z",
"structure_string": "Sr1 Li1 Mg6\n1.0\n7.104236 -0.344156 0.000000\n-3.850166 5.980370 0.000000\n0.000000 0.000000 5.119346\nSr Li Mg\n1 1 6\ndirect\n0.305212 0.194788 0.750001 Sr\n0.136025 0.363974 0.250000 Li\n0.184117 0.818170 0.250000 Mg\n0.681830 0.315882 0.250000 Mg\n0.693506 0.806493 0.250000 Mg\n0.328306 0.688011 0.750001 Mg\n0.811989 0.171693 0.750001 Mg\n0.859012 0.640987 0.750001 Mg\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Sr",
"Li",
"Mg"
],
"chemical_system": "Li-Mg-Sr",
"density": 1.8943836374563574,
"density_atomic": 0.03796563073374773,
"volume": 210.71689961122607,
"volume_molar": 15.862085374619909,
"formula_full": "Sr1 Li1 Mg6",
"formula_reduced": "SrLiMg6",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0,
"spacegroup": 38
},
{
"id": "jvasp-69329",
"created_at": "2022-09-04T14:36:00.933402Z",
"updated_at": "2022-09-04T14:36:00.933431Z",
"structure_string": "Ba2 Bi1 Br1\n1.0\n0.000000 4.226562 4.226562\n4.226562 0.000000 4.226562\n4.226562 4.226562 -0.000000\nBa Bi Br\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Ba\n0.000000 0.000000 0.000000 Bi\n0.500000 0.500000 0.500000 Br\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Bi",
"Br"
],
"chemical_system": "Ba-Bi-Br",
"density": 6.1969912673350525,
"density_atomic": 0.02648916468746703,
"volume": 151.00513916516752,
"volume_molar": 22.73435508840069,
"formula_full": "Ba2 Bi1 Br1",
"formula_reduced": "Ba2BiBr",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-3906",
"created_at": "2022-09-04T14:36:00.947163Z",
"updated_at": "2022-09-04T14:36:00.947186Z",
"structure_string": "Cd2 Br4\n1.0\n2.011894 -3.484702 0.000000\n2.011894 3.484702 0.000000\n0.000000 0.000000 12.547449\nCd Br\n2 4\ndirect\n0.666666 0.333332 0.124967 Cd\n0.333332 0.666666 0.624967 Cd\n0.000000 0.000000 0.250846 Br\n0.000000 0.000000 0.750846 Br\n0.333332 0.666666 -0.000813 Br\n0.666666 0.333332 0.499187 Br\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Cd",
"Br"
],
"chemical_system": "Br-Cd",
"density": 5.138559060793724,
"density_atomic": 0.03410319556500521,
"volume": 175.9365918822242,
"volume_molar": 17.658582019157127,
"formula_full": "Cd2 Br4",
"formula_reduced": "CdBr2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0,
"spacegroup": 186
},
{
"id": "jvasp-92887",
"created_at": "2022-09-04T14:36:07.710733Z",
"updated_at": "2022-09-04T14:36:07.710755Z",
"structure_string": "Mg6 Cd1 Mo1\n1.0\n5.978774 0.846461 0.000000\n-2.256331 5.601001 0.000000\n0.000000 0.000000 4.553242\nMg Cd Mo\n6 1 1\ndirect\n0.159163 0.888286 0.250000 Mg\n0.611714 0.340837 0.250000 Mg\n0.660247 0.839753 0.250000 Mg\n0.377185 0.647111 0.750000 Mg\n0.852888 0.122815 0.750000 Mg\n0.894315 0.605684 0.750000 Mg\n0.330762 0.169238 0.750000 Cd\n0.113725 0.386275 0.250000 Mo\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Mg",
"Cd",
"Mo"
],
"chemical_system": "Cd-Mg-Mo",
"density": 3.649110208547646,
"density_atomic": 0.04963666674885695,
"volume": 161.1711769542669,
"volume_molar": 12.132443925918293,
"formula_full": "Mg6 Cd1 Mo1",
"formula_reduced": "Mg6CdMo",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0,
"spacegroup": 38
},
{
"id": "jvasp-64699",
"created_at": "2022-09-04T14:36:07.310453Z",
"updated_at": "2022-09-04T14:36:07.310481Z",
"structure_string": "Ba4 Ga1 Br1\n1.0\n0.000000 5.054454 5.054454\n5.054454 0.000000 5.054454\n5.054454 5.054454 -0.000000\nBa Ga Br\n4 1 1\ndirect\n0.124169 0.625277 0.625277 Ba\n0.625277 0.625277 0.625277 Ba\n0.625277 0.124169 0.625277 Ba\n0.625277 0.625277 0.124169 Ba\n0.000000 0.000000 0.000000 Ga\n0.250000 0.250000 0.250000 Br\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Ga",
"Br"
],
"chemical_system": "Ba-Br-Ga",
"density": 4.494000799308091,
"density_atomic": 0.02323263713936638,
"volume": 258.25738008163273,
"volume_molar": 25.921038252673544,
"formula_full": "Ba4 Ga1 Br1",
"formula_reduced": "Ba4GaBr",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0,
"spacegroup": 216
},
{
"id": "jvasp-93693",
"created_at": "2022-09-04T14:36:05.902887Z",
"updated_at": "2022-09-04T14:36:05.902913Z",
"structure_string": "Ca2 Ag4\n1.0\n4.315461 -0.000000 1.851651\n1.898075 5.407034 1.530978\n0.009986 0.038284 5.931360\nCa Ag\n2 4\ndirect\n0.957360 0.292640 0.292640 Ca\n0.042642 0.707359 0.707360 Ca\n0.662762 0.290921 0.883557 Ag\n0.337241 0.709078 0.116443 Ag\n0.337241 0.116442 0.709078 Ag\n0.662762 0.883556 0.290922 Ag\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ca",
"Ag"
],
"chemical_system": "Ag-Ca",
"density": 6.14821797047966,
"density_atomic": 0.04342066051111888,
"volume": 138.18306606514102,
"volume_molar": 13.869297908210978,
"formula_full": "Ca2 Ag4",
"formula_reduced": "CaAg2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0,
"spacegroup": 74
},
{
"id": "jvasp-90850",
"created_at": "2022-09-04T14:36:01.070804Z",
"updated_at": "2022-09-04T14:36:01.070828Z",
"structure_string": "Sr2 Ag2 Te2 F2\n1.0\n4.340813 -0.000000 0.000000\n0.000000 4.340813 0.000000\n-0.000000 0.000000 9.642645\nSr Ag Te F\n2 2 2 2\ndirect\n0.749999 0.749999 0.863256 Sr\n0.250000 0.250000 0.136744 Sr\n0.250000 0.749999 0.500000 Ag\n0.749999 0.250000 0.500000 Ag\n0.749999 0.749999 0.298975 Te\n0.250000 0.250000 0.701025 Te\n0.250000 0.749999 0.000000 F\n0.749999 0.250000 0.000000 F\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Sr",
"Ag",
"Te",
"F"
],
"chemical_system": "Ag-F-Sr-Te",
"density": 6.252832966988925,
"density_atomic": 0.04403030102523309,
"volume": 181.6930571384312,
"volume_molar": 13.677264565029443,
"formula_full": "Sr2 Ag2 Te2 F2",
"formula_reduced": "SrAgTeF",
"formula_anonymous": "ABCD",
"energy_above_hull": 0.0,
"spacegroup": 129
},
{
"id": "jvasp-95367",
"created_at": "2022-09-04T14:36:04.223973Z",
"updated_at": "2022-09-04T14:36:04.224131Z",
"structure_string": "Na4 In4 Br16\n1.0\n6.767218 0.000000 0.000000\n0.000000 10.421647 0.000000\n0.000000 0.000000 10.861711\nNa In Br\n4 4 16\ndirect\n0.305999 0.781832 0.897115 Na\n0.806000 0.218168 0.602885 Na\n0.194001 0.281832 0.102885 Na\n0.694001 0.718169 0.397115 Na\n0.218560 0.992526 0.460949 In\n0.781441 0.507474 0.960949 In\n0.718560 0.007474 0.039051 In\n0.281441 0.492526 0.539051 In\n0.404256 0.503169 0.958588 Br\n0.899249 0.702233 0.840733 Br\n0.095744 0.003169 0.041412 Br\n0.070389 0.196217 0.364874 Br\n0.600751 0.202232 0.159267 Br\n0.399249 0.297768 0.659267 Br\n0.941741 0.507393 0.172695 Br\n0.100751 0.797768 0.340733 Br\n0.058259 0.992608 0.672695 Br\n0.558259 0.007393 0.827305 Br\n0.441741 0.492608 0.327305 Br\n0.429611 0.696217 0.635126 Br\n0.570390 0.803783 0.135126 Br\n0.904256 0.496831 0.541412 Br\n0.929611 0.303783 0.864874 Br\n0.595745 -0.003169 0.458588 Br\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Na",
"In",
"Br"
],
"chemical_system": "Br-In-Na",
"density": 3.966277058608566,
"density_atomic": 0.03133043845003996,
"volume": 766.0282200732939,
"volume_molar": 19.22137403089014,
"formula_full": "Na4 In4 Br16",
"formula_reduced": "NaInBr4",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0,
"spacegroup": 19
},
{
"id": "jvasp-93751",
"created_at": "2022-09-04T14:36:05.918498Z",
"updated_at": "2022-09-04T14:36:05.918524Z",
"structure_string": "Ca2 Zn2 Pb2\n1.0\n-2.375960 -4.114929 -0.000000\n-2.375960 4.114929 0.000000\n0.000000 0.000000 -7.879861\nCa Zn Pb\n2 2 2\ndirect\n0.000000 0.000000 0.500000 Ca\n0.000000 0.000000 0.000000 Ca\n0.666660 0.333340 0.250000 Zn\n0.333340 0.666660 0.750000 Zn\n0.666678 0.333322 0.750000 Pb\n0.333322 0.666678 0.250000 Pb\n",
"nsites": 6,
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"elements": [
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"Zn",
"Pb"
],
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"density": 6.739674084105209,
"density_atomic": 0.03894047340474507,
"volume": 154.0813317197339,
"volume_molar": 15.46499113507484,
"formula_full": "Ca2 Zn2 Pb2",
"formula_reduced": "CaZnPb",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0,
"spacegroup": 194
}
]
}