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{
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"results": [
{
"id": "jvasp-107519",
"created_at": "2022-09-04T14:36:57.233289Z",
"updated_at": "2022-09-04T14:36:57.233317Z",
"structure_string": "Tb3 Mn3 Ga2 Ge1\n1.0\n6.946356 0.000000 0.000000\n-3.473178 6.015720 0.000000\n-0.000000 -0.000000 4.155404\nTb Mn Ga Ge\n3 3 2 1\ndirect\n0.246067 0.331842 0.500000 Tb\n0.085775 0.753933 0.500000 Tb\n0.668158 0.914225 0.500000 Tb\n0.888100 0.328250 -0.000000 Mn\n0.440151 0.111900 -0.000000 Mn\n0.671750 0.559849 -0.000000 Mn\n0.333333 0.666667 -0.000000 Ga\n0.666667 0.333333 0.500000 Ga\n0.000000 0.000000 0.000000 Ge\n",
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{
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"created_at": "2022-09-04T14:37:19.372500Z",
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"structure_string": "Tb3 Mn3 Ga2 Si1\n1.0\n3.530215 -6.114511 0.000000\n3.530215 6.114511 0.000000\n0.000000 0.000000 3.965063\nTb Mn Ga Si\n3 3 2 1\ndirect\n0.407905 0.407905 0.500000 Tb\n0.592094 -0.000000 0.500000 Tb\n-0.000000 0.592094 0.500000 Tb\n0.217554 -0.000000 0.000000 Mn\n-0.000000 0.217554 0.000000 Mn\n0.782445 0.782445 0.000000 Mn\n0.666666 0.333332 0.000000 Ga\n0.333332 0.666666 0.000000 Ga\n0.000000 0.000000 0.500000 Si\n",
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"formula_full": "Tb3 Mn3 Ga2 Si1",
"formula_reduced": "Tb3Mn3Ga2Si",
"formula_anonymous": "AB2C3D3",
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"spacegroup": 189
},
{
"id": "jvasp-105388",
"created_at": "2022-09-04T14:37:00.201001Z",
"updated_at": "2022-09-04T14:37:00.201021Z",
"structure_string": "Tb3 Mn3 Ga2 Si1\n1.0\n6.886229 -0.000000 0.000000\n-3.443115 5.963649 0.000000\n-0.000000 -0.000000 4.179709\nTb Mn Ga Si\n3 3 2 1\ndirect\n0.336455 0.244601 0.500000 Tb\n0.908145 0.663545 0.500000 Tb\n0.755399 0.091854 0.500000 Tb\n0.344691 0.898324 -0.000000 Mn\n0.553633 0.655309 -0.000000 Mn\n0.101676 0.446367 -0.000000 Mn\n0.333333 0.666667 0.500000 Ga\n0.000000 0.000000 0.000000 Ga\n0.666667 0.333333 -0.000000 Si\n",
"nsites": 9,
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],
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"density_atomic": 0.0524327851843476,
"volume": 171.6483297302831,
"volume_molar": 11.485448920607308,
"formula_full": "Tb3 Mn3 Ga2 Si1",
"formula_reduced": "Tb3Mn3Ga2Si",
"formula_anonymous": "AB2C3D3",
"energy_above_hull": 2.497188908237548,
"spacegroup": 174
},
{
"id": "jvasp-18248",
"created_at": "2022-09-04T14:37:27.058616Z",
"updated_at": "2022-09-04T14:37:27.058636Z",
"structure_string": "Tb3 Mn3 Ga2 Si1\n1.0\n3.530215 -6.114511 0.000000\n3.530215 6.114511 -0.000000\n-0.000000 0.000000 3.965063\nTb Mn Ga Si\n3 3 2 1\ndirect\n0.407905 0.407905 0.500000 Tb\n0.592094 -0.000000 0.500000 Tb\n-0.000000 0.592094 0.500000 Tb\n0.217554 -0.000000 0.000000 Mn\n-0.000000 0.217554 0.000000 Mn\n0.782445 0.782445 0.000000 Mn\n0.666666 0.333332 0.000000 Ga\n0.333332 0.666666 0.000000 Ga\n0.000000 0.000000 0.500000 Si\n",
"nsites": 9,
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"elements": [
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"Mn",
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"Si"
],
"chemical_system": "Ga-Mn-Si-Tb",
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"density_atomic": 0.05257745194098125,
"volume": 171.17603968527413,
"volume_molar": 11.453846730267413,
"formula_full": "Tb3 Mn3 Ga2 Si1",
"formula_reduced": "Tb3Mn3Ga2Si",
"formula_anonymous": "AB2C3D3",
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"spacegroup": 189
},
{
"id": "jvasp-51892",
"created_at": "2022-09-04T14:37:04.768822Z",
"updated_at": "2022-09-04T14:37:04.768846Z",
"structure_string": "Tb4 Mn2 Ni2 O12\n1.0\n0.000000 5.226265 -0.008477\n5.646660 0.000000 0.000000\n0.000000 -5.166352 -7.405094\nTb Mn Ni O\n4 2 2 12\ndirect\n0.770596 0.576666 0.250199 Tb\n0.770596 0.923334 0.750199 Tb\n0.229404 0.076666 0.249801 Tb\n0.229403 0.423334 0.749801 Tb\n0.500000 0.500000 0.500000 Mn\n0.500000 0.000000 0.000000 Mn\n-0.000000 0.000000 0.500000 Ni\n0.000000 0.500000 0.000000 Ni\n0.354458 0.030310 0.752231 O\n0.150388 0.185195 0.950593 O\n0.736888 0.203778 0.551411 O\n0.150388 0.314805 0.450593 O\n0.354458 0.469690 0.252231 O\n0.645542 0.969690 0.247769 O\n0.645542 0.530310 0.747769 O\n0.263111 0.796222 0.448589 O\n0.849611 0.685195 0.549406 O\n0.263111 0.703779 0.948588 O\n0.736888 0.296222 0.051412 O\n0.849611 0.814805 0.049407 O\n",
"nsites": 20,
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"elements": [
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"Mn",
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"O"
],
"chemical_system": "Mn-Ni-O-Tb",
"density": 8.007170363695478,
"density_atomic": 0.09141662252089984,
"volume": 218.7785924318913,
"volume_molar": 6.5875773944976,
"formula_full": "Tb4 Mn2 Ni2 O12",
"formula_reduced": "Tb2MnNiO6",
"formula_anonymous": "ABC2D6",
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"spacegroup": 14
},
{
"id": "jvasp-112981",
"created_at": "2022-09-04T14:38:45.649547Z",
"updated_at": "2022-09-04T14:38:45.649576Z",
"structure_string": "Tb4 Mo4 Br4 O16\n1.0\n6.573063 -0.040206 -2.042257\n-0.991786 6.903335 -1.882414\n-0.019414 0.086997 10.922930\nTb Mo Br O\n4 4 4 16\ndirect\n0.646117 0.124813 0.732702 Tb\n0.353882 0.875188 0.267298 Tb\n0.389295 0.655682 0.766986 Tb\n0.610704 0.344318 0.233014 Tb\n0.732353 0.811620 0.132740 Mo\n0.267647 0.188381 0.867260 Mo\n0.776875 0.598946 0.627888 Mo\n0.223125 0.401055 0.372112 Mo\n0.814467 0.290705 0.022659 Br\n0.185533 0.709296 0.977341 Br\n0.743128 0.014865 0.481515 Br\n0.256872 0.985136 0.518485 Br\n0.328932 0.486550 0.548283 O\n0.671067 0.513451 0.451717 O\n0.275760 0.582235 0.299045 O\n0.724239 0.417766 0.700955 O\n0.956673 0.340394 0.330523 O\n0.043326 0.659606 0.669477 O\n0.600948 0.014457 0.176110 O\n0.329599 0.274319 0.041580 O\n0.377827 0.351993 0.797469 O\n0.622173 0.648007 0.202531 O\n-0.000099 0.130803 0.793496 O\n0.000099 0.869199 0.206505 O\n0.655906 0.796285 0.701531 O\n0.670401 0.725682 0.958420 O\n0.399051 0.985544 0.823890 O\n0.344093 0.203716 0.298469 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
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"Mo",
"Br",
"O"
],
"chemical_system": "Br-Mo-O-Tb",
"density": 5.338113126322255,
"density_atomic": 0.05643097567498481,
"volume": 496.1813908954275,
"volume_molar": 10.67169349451731,
"formula_full": "Tb4 Mo4 Br4 O16",
"formula_reduced": "TbMoBrO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.392757486428572,
"spacegroup": 2
},
{
"id": "jvasp-56706",
"created_at": "2022-09-04T14:38:33.629077Z",
"updated_at": "2022-09-04T14:38:33.629098Z",
"structure_string": "Tb2 Mo2 Cl2 O8\n1.0\n6.114687 0.002204 1.510404\n1.780334 5.849772 1.510404\n0.012631 0.009363 6.866626\nTb Mo Cl O\n2 2 2 8\ndirect\n0.221773 0.221772 0.890793 Tb\n0.778227 0.778227 0.109208 Tb\n0.362515 0.362514 0.269681 Mo\n0.637485 0.637484 0.730318 Mo\n0.009247 0.009247 0.238323 Cl\n0.990753 0.990752 0.761676 Cl\n0.294499 0.294498 0.535222 O\n0.509995 0.888366 0.846687 O\n0.705501 0.705500 0.464778 O\n0.458477 0.458477 0.797477 O\n0.111633 0.490004 0.153312 O\n0.888367 0.509994 0.846687 O\n0.490005 0.111633 0.153312 O\n0.541523 0.541522 0.202523 O\n",
"nsites": 14,
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"elements": [
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],
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"density": 4.794757615444146,
"density_atomic": 0.05704596052248157,
"volume": 245.41614992147709,
"volume_molar": 10.556647140031414,
"formula_full": "Tb2 Mo2 Cl2 O8",
"formula_reduced": "TbMoClO4",
"formula_anonymous": "ABCD4",
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"spacegroup": 12
},
{
"id": "jvasp-56686",
"created_at": "2022-09-04T14:37:54.441162Z",
"updated_at": "2022-09-04T14:37:54.441179Z",
"structure_string": "Tb4 Mo4 O16 F4\n1.0\n0.000000 5.235182 0.002834\n12.351005 0.000000 0.000000\n0.000000 -2.622575 -6.174311\nTb Mo O F\n4 4 16 4\ndirect\n0.638780 0.551344 0.299900 Tb\n0.361220 0.448657 0.700100 Tb\n0.638781 0.948657 0.799900 Tb\n0.361220 0.051343 0.200100 Tb\n0.076504 0.143830 0.628894 Mo\n0.076503 0.356170 0.128894 Mo\n0.923497 0.856171 0.371106 Mo\n0.923497 0.643830 0.871106 Mo\n0.306440 0.434173 0.038311 O\n0.238340 0.654297 0.092491 O\n0.189756 0.276953 0.706194 O\n0.693560 0.934173 0.461690 O\n0.995129 0.930559 0.164342 O\n0.995130 0.569441 0.664342 O\n0.238340 0.845704 0.592491 O\n0.693560 0.565827 0.961690 O\n0.810245 0.723048 0.293806 O\n0.761660 0.154297 0.407510 O\n0.189755 0.223048 0.206195 O\n0.810245 0.776953 0.793806 O\n0.306441 0.065827 0.538311 O\n0.761661 0.345704 0.907509 O\n0.004871 0.430559 0.335659 O\n0.004871 0.069441 0.835659 O\n0.451652 0.900276 0.036116 F\n0.548348 0.400276 0.463884 F\n0.548349 0.099724 0.963884 F\n0.451653 0.599724 0.536116 F\n",
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"elements": [
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],
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"density_atomic": 0.07015123478954798,
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"formula_full": "Tb4 Mo4 O16 F4",
"formula_reduced": "TbMoO4F",
"formula_anonymous": "ABCD4",
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"spacegroup": 14
},
{
"id": "jvasp-122514",
"created_at": "2022-09-04T14:38:54.266052Z",
"updated_at": "2022-09-04T14:38:54.266081Z",
"structure_string": "Tb4 Mo4 O16 F4\n1.0\n12.328053 0.000000 0.000000\n-0.000000 4.810471 2.045614\n-0.000000 -0.005842 6.699575\nTb Mo O F\n4 4 16 4\ndirect\n0.551286 0.638501 0.699983 Tb\n0.448713 0.361500 0.300015 Tb\n0.948713 0.638501 0.199984 Tb\n0.051286 0.361500 0.800015 Tb\n0.143964 0.075747 0.371464 Mo\n0.356036 0.075747 0.871464 Mo\n0.856036 0.924253 0.628534 Mo\n0.643964 0.924253 0.128535 Mo\n0.434209 0.306224 0.961694 O\n0.654838 0.238979 0.907319 O\n0.277016 0.189770 0.293349 O\n0.934209 0.693777 0.538305 O\n0.930450 0.995162 0.835771 O\n0.569550 0.995162 0.335771 O\n0.845162 0.238979 0.407319 O\n0.565791 0.693777 0.038305 O\n0.722984 0.810231 0.706649 O\n0.154838 0.761021 0.592679 O\n0.222984 0.189770 0.793349 O\n0.777016 0.810230 0.206650 O\n0.065791 0.306223 0.461694 O\n0.345162 0.761021 0.092680 O\n0.430450 0.004839 0.664227 O\n0.069550 0.004838 0.164227 O\n0.900076 0.449995 0.964751 F\n0.400076 0.550005 0.535247 F\n0.099924 0.550005 0.035248 F\n0.599923 0.449995 0.464751 F\n",
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},
{
"id": "jvasp-106203",
"created_at": "2022-09-04T14:38:39.893790Z",
"updated_at": "2022-09-04T14:38:39.893814Z",
"structure_string": "Na2 Tb1 Cu1 Cl6\n1.0\n6.250167 0.000000 3.608536\n2.083389 5.892715 3.608536\n-0.000000 -0.000000 7.217072\nTb Na Cu Cl\n1 2 1 6\ndirect\n0.000000 0.000000 0.000000 Tb\n0.750001 0.749999 0.750001 Na\n0.250000 0.250000 0.250000 Na\n0.500000 0.500000 0.500000 Cu\n0.743743 0.256257 0.256258 Cl\n0.256258 0.256257 0.743742 Cl\n0.256258 0.743742 0.743743 Cl\n0.256258 0.743742 0.256258 Cl\n0.743743 0.256257 0.743743 Cl\n0.743743 0.743742 0.256258 Cl\n",
"nsites": 10,
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],
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"density": 3.0059277645342872,
"density_atomic": 0.03762113584036522,
"volume": 265.80802989128784,
"volume_molar": 16.007333711436228,
"formula_full": "Na2 Tb1 Cu1 Cl6",
"formula_reduced": "Na2TbCuCl6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-105050",
"created_at": "2022-09-04T14:36:50.208866Z",
"updated_at": "2022-09-04T14:36:50.208888Z",
"structure_string": "Na2 Li1 Tb1 Cl6\n1.0\n6.225001 -0.000000 3.594006\n2.075000 5.868987 3.594006\n-0.000000 -0.000000 7.188012\nTb Na Li Cl\n1 2 1 6\ndirect\n0.000000 0.000000 0.000000 Tb\n0.750000 0.750000 0.750001 Na\n0.250000 0.250000 0.250000 Na\n0.500000 0.500000 0.500000 Li\n0.743106 0.256894 0.256894 Cl\n0.256893 0.256894 0.743106 Cl\n0.256893 0.743107 0.743107 Cl\n0.256893 0.743107 0.256894 Cl\n0.743106 0.256894 0.743107 Cl\n0.743106 0.743107 0.256894 Cl\n",
"nsites": 10,
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],
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"volume": 262.61006461077784,
"volume_molar": 15.814747740787986,
"formula_full": "Na2 Li1 Tb1 Cl6",
"formula_reduced": "Na2LiTbCl6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-117184",
"created_at": "2022-09-04T14:38:47.151557Z",
"updated_at": "2022-09-04T14:38:47.151575Z",
"structure_string": "Na3 Tb1 V2 O8\n1.0\n5.883443 0.000000 0.000000\n-2.941722 5.095211 0.000000\n-0.000000 -0.000000 6.909142\nTb Na V O\n1 3 2 8\ndirect\n0.000000 0.000000 0.500000 Tb\n0.333333 0.666667 0.652534 Na\n0.666666 0.333333 0.347466 Na\n0.000000 0.000000 0.000000 Na\n0.333333 0.666667 0.207144 V\n0.666666 0.333333 0.792856 V\n0.333333 0.666667 0.966083 O\n0.666666 0.333333 0.033916 O\n0.174167 0.825833 0.302579 O\n0.825833 0.174166 0.697420 O\n0.174166 0.348333 0.302579 O\n0.825833 0.651667 0.697420 O\n0.651667 0.825833 0.302579 O\n0.348333 0.174166 0.697420 O\n",
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],
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"volume": 207.11799933104274,
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"formula_full": "Na3 Tb1 V2 O8",
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"formula_anonymous": "AB2C3D8",
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}
]
}