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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-elements&page=166",
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"results": [
{
"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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"elements": [
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"formula_full": "Tb4 Mo4 O16 F4",
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"spacegroup": 14
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{
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"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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"Mo",
"Cl",
"O"
],
"chemical_system": "Cl-Mo-O-Tb",
"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",
"energy_above_hull": 2.4124674810714293,
"spacegroup": 12
},
{
"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": [
"Tb",
"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-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,
"nelements": 4,
"elements": [
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"Ni",
"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",
"energy_above_hull": 2.439133744137931,
"spacegroup": 14
},
{
"id": "jvasp-5137",
"created_at": "2022-09-04T14:37:19.372500Z",
"updated_at": "2022-09-04T14:37:19.372529Z",
"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",
"nsites": 9,
"nelements": 4,
"elements": [
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"Mn",
"Ga",
"Si"
],
"chemical_system": "Ga-Mn-Si-Tb",
"density": 7.849101837184892,
"density_atomic": 0.05257745194098125,
"volume": 171.17603968527413,
"volume_molar": 11.453846730267413,
"formula_full": "Tb3 Mn3 Ga2 Si1",
"formula_reduced": "Tb3Mn3Ga2Si",
"formula_anonymous": "AB2C3D3",
"energy_above_hull": 2.498145574904214,
"spacegroup": 189
},
{
"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,
"nelements": 4,
"elements": [
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"Mn",
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"Si"
],
"chemical_system": "Ga-Mn-Si-Tb",
"density": 7.849101837184892,
"density_atomic": 0.05257745194098125,
"volume": 171.17603968527413,
"volume_molar": 11.453846730267413,
"formula_full": "Tb3 Mn3 Ga2 Si1",
"formula_reduced": "Tb3Mn3Ga2Si",
"formula_anonymous": "AB2C3D3",
"energy_above_hull": 2.498145574904214,
"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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"elements": [
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],
"chemical_system": "Ga-Mn-Si-Tb",
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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-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",
"nsites": 9,
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"elements": [
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"Ga",
"Ge"
],
"chemical_system": "Ga-Ge-Mn-Tb",
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"density_atomic": 0.051830405299051786,
"volume": 173.643249518727,
"volume_molar": 11.61893434028418,
"formula_full": "Tb3 Mn3 Ga2 Ge1",
"formula_reduced": "Tb3Mn3Ga2Ge",
"formula_anonymous": "AB2C3D3",
"energy_above_hull": 2.1878752804597705,
"spacegroup": 174
},
{
"id": "jvasp-119072",
"created_at": "2022-09-04T14:38:50.667867Z",
"updated_at": "2022-09-04T14:38:50.667895Z",
"structure_string": "Tb1 Mn4 Cu3 O12\n1.0\n5.923928 -0.000000 -2.094425\n-2.961964 5.130272 -2.094425\n-0.000000 -0.000000 6.283275\nTb Mn Cu O\n1 4 3 12\ndirect\n0.000000 0.000000 0.000000 Tb\n0.500000 0.500000 0.500000 Mn\n0.500000 0.000000 0.000000 Mn\n0.000000 0.500000 0.000000 Mn\n0.000000 0.000000 0.500000 Mn\n0.500000 0.500000 0.000001 Cu\n0.500000 0.000000 0.500000 Cu\n0.000000 0.500000 0.500000 Cu\n0.475476 0.177631 0.297845 O\n0.524525 0.822369 0.702155 O\n0.297845 0.120214 0.822369 O\n0.702156 0.879785 0.177632 O\n0.297845 0.475476 0.177631 O\n0.177631 0.297845 0.475476 O\n0.822370 0.297845 0.120215 O\n0.177631 0.702155 0.879786 O\n0.120215 0.822369 0.297846 O\n0.822370 0.702155 0.524525 O\n0.702155 0.524524 0.822370 O\n0.879786 0.177631 0.702155 O\n",
"nsites": 20,
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"Cu",
"O"
],
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"density": 6.620235647839644,
"density_atomic": 0.10473546493163328,
"volume": 190.95728474643352,
"volume_molar": 5.749858239452118,
"formula_full": "Tb1 Mn4 Cu3 O12",
"formula_reduced": "TbMn4(CuO4)3",
"formula_anonymous": "AB3C4D12",
"energy_above_hull": 2.8196485357758623,
"spacegroup": 204
},
{
"id": "jvasp-57833",
"created_at": "2022-09-04T14:37:17.083036Z",
"updated_at": "2022-09-04T14:37:17.083052Z",
"structure_string": "Tb1 Mn2 Bi1 O6\n1.0\n5.196480 0.000000 3.000189\n1.732159 4.899280 3.000192\n0.000004 0.000005 6.000372\nTb Mn Bi O\n1 2 1 6\ndirect\n0.000000 0.999999 0.000000 Tb\n0.750007 0.750005 0.749994 Mn\n0.250005 0.250006 0.249996 Mn\n0.499999 0.500000 0.500001 Bi\n0.744331 0.255664 0.255669 O\n0.744331 0.255664 0.744337 O\n0.255662 0.744332 0.744336 O\n0.255664 0.744332 0.255668 O\n0.744332 0.744334 0.255666 O\n0.255663 0.255667 0.744333 O\n",
"nsites": 10,
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"elements": [
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],
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"density": 6.2369719344939725,
"density_atomic": 0.06546069596273311,
"volume": 152.7634231950882,
"volume_molar": 9.1996283746027,
"formula_full": "Tb1 Mn2 Bi1 O6",
"formula_reduced": "TbMn2BiO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.909225818275862,
"spacegroup": 225
},
{
"id": "jvasp-116640",
"created_at": "2022-09-04T14:38:43.956547Z",
"updated_at": "2022-09-04T14:38:43.956566Z",
"structure_string": "Tb6 Mg1 Ge2 S14\n1.0\n9.870102 0.000000 0.000000\n-4.935050 8.547759 0.000000\n-0.000000 -0.000000 5.786284\nTb Mg Ge S\n6 1 2 14\ndirect\n0.864738 0.224487 0.258303 Tb\n0.359748 0.135262 0.258303 Tb\n0.775512 0.640252 0.258303 Tb\n0.135631 0.777950 0.765865 Tb\n0.642319 0.864369 0.765865 Tb\n0.222050 0.357681 0.765865 Tb\n0.000000 0.000000 0.476188 Mg\n0.666667 0.333333 0.836951 Ge\n0.333333 0.666667 0.346311 Ge\n0.480806 0.576659 0.506029 S\n0.577737 0.096211 -0.001104 S\n0.903789 0.481526 -0.001104 S\n0.518474 0.422262 -0.001104 S\n0.901362 0.153317 0.713747 S\n0.846683 0.748046 0.713747 S\n0.747689 0.903461 0.231296 S\n0.096539 0.844229 0.231296 S\n0.155771 0.252311 0.231296 S\n0.095852 0.519194 0.506029 S\n0.333333 0.666667 0.965152 S\n0.666667 0.333333 0.456824 S\n0.251954 0.098638 0.713747 S\n0.423341 0.904148 0.506029 S\n",
"nsites": 23,
"nelements": 4,
"elements": [
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"S"
],
"chemical_system": "Ge-Mg-S-Tb",
"density": 5.347379364713379,
"density_atomic": 0.0471144559586474,
"volume": 488.17288732331366,
"volume_molar": 12.781938446420062,
"formula_full": "Tb6 Mg1 Ge2 S14",
"formula_reduced": "Tb6Mg(GeS7)2",
"formula_anonymous": "AB2C6D14",
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"spacegroup": 143
},
{
"id": "jvasp-16030",
"created_at": "2022-09-04T14:36:43.255675Z",
"updated_at": "2022-09-04T14:36:43.255711Z",
"structure_string": "Li1 Tb1 Cu2 P2\n1.0\n1.999374 -3.463016 0.000000\n1.999374 3.463016 -0.000000\n0.000000 0.000000 6.649326\nTb Li Cu P\n1 1 2 2\ndirect\n0.000000 0.000000 0.000000 Tb\n0.000000 0.000000 0.500000 Li\n0.333332 0.666666 0.326309 Cu\n0.666666 0.333332 0.673692 Cu\n0.333332 0.666666 0.739368 P\n0.666666 0.333332 0.260633 P\n",
"nsites": 6,
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"elements": [
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],
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"density_atomic": 0.06516210278116999,
"volume": 92.07805985251034,
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"formula_full": "Li1 Tb1 Cu2 P2",
"formula_reduced": "LiTb(CuP)2",
"formula_anonymous": "ABC2D2",
"energy_above_hull": 1.196911716666667,
"spacegroup": 164
}
]
}