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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-energy_above_hull&page=1035",
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"results": [
{
"id": "jvasp-116756",
"created_at": "2022-09-04T14:38:51.282040Z",
"updated_at": "2022-09-04T14:38:51.282062Z",
"structure_string": "Ti4 V4 O16\n1.0\n5.340174 0.000230 -0.021803\n-2.659202 9.476366 2.680644\n0.022171 0.000086 5.340169\nTi V O\n4 4 16\ndirect\n0.874986 0.249967 0.619673 Ti\n0.375007 0.250009 0.130293 Ti\n0.630327 0.749968 0.375009 Ti\n0.119707 0.750012 0.874991 Ti\n0.748461 0.496839 0.751590 V\n0.498411 0.996838 0.501541 V\n0.251559 0.503175 0.248444 V\n0.001555 0.003175 0.998443 V\n0.854138 0.708192 0.645883 O\n0.352189 0.704466 0.147807 O\n0.145940 0.291825 0.354113 O\n0.647751 0.295534 0.852189 O\n0.397812 0.795534 0.602249 O\n0.895885 0.791824 0.104060 O\n0.015598 0.537170 0.978299 O\n0.228490 0.962822 0.771783 O\n0.271701 0.037168 0.234403 O\n0.765452 0.037181 0.728430 O\n0.102193 0.204465 0.897809 O\n0.734326 0.962826 0.265394 O\n0.478217 0.462822 0.021507 O\n0.984603 0.462825 0.515675 O\n0.521571 0.537182 0.484545 O\n0.604116 0.208192 0.395862 O\n",
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],
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"volume": 270.24825420302955,
"volume_molar": 6.781137612312106,
"formula_full": "Ti4 V4 O16",
"formula_reduced": "TiVO4",
"formula_anonymous": "ABC4",
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"spacegroup": 119
},
{
"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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"elements": [
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"Cu",
"O"
],
"chemical_system": "Cu-Mn-O-Tb",
"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-18104",
"created_at": "2022-09-04T14:37:29.289287Z",
"updated_at": "2022-09-04T14:37:29.289315Z",
"structure_string": "V1 Co2 Sn1\n1.0\n3.680339 0.000000 2.124844\n1.226779 3.469856 2.124844\n0.000000 0.000000 4.249689\nV Co Sn\n1 2 1\ndirect\n0.500000 0.500001 0.499999 V\n0.750000 0.750001 0.749998 Co\n0.250000 0.250000 0.249999 Co\n0.000000 0.000000 0.000000 Sn\n",
"nsites": 4,
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"elements": [
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"Co",
"Sn"
],
"chemical_system": "Co-Sn-V",
"density": 8.797464958857688,
"density_atomic": 0.0737061228874728,
"volume": 54.26957548841367,
"volume_molar": 8.170475564416822,
"formula_full": "V1 Co2 Sn1",
"formula_reduced": "VCo2Sn",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.8196294250000005,
"spacegroup": 225
},
{
"id": "jvasp-46809",
"created_at": "2022-09-04T14:38:07.321188Z",
"updated_at": "2022-09-04T14:38:07.321215Z",
"structure_string": "Li2 Mn2 Si4 O12\n1.0\n6.591473 0.048008 -0.014331\n-0.691946 6.555230 0.014331\n-1.420654 1.269255 4.943292\nLi Mn Si O\n2 2 4 12\ndirect\n0.241550 0.241550 0.250000 Li\n0.758449 0.758451 0.750000 Li\n0.104632 0.104633 0.750000 Mn\n0.895367 0.895368 0.250000 Mn\n0.208730 0.610230 0.759066 Si\n0.389771 0.791270 0.259066 Si\n0.610229 0.208731 0.740934 Si\n0.791270 0.389771 0.240934 Si\n0.797793 0.029429 0.863979 O\n0.659759 0.370914 0.468450 O\n0.626242 0.887422 0.345181 O\n0.629087 0.340242 0.968450 O\n0.370913 0.659759 0.031550 O\n0.112578 0.373758 0.845181 O\n0.340241 0.629087 0.531549 O\n0.202206 0.970572 0.136021 O\n0.887421 0.626243 0.154818 O\n0.029428 0.797794 0.636021 O\n0.373757 0.112579 0.654818 O\n0.970572 0.202207 0.363979 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
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"chemical_system": "Li-Mn-O-Si",
"density": 3.3293397818015933,
"density_atomic": 0.09367010421876265,
"volume": 213.51529569446006,
"volume_molar": 6.429095825425303,
"formula_full": "Li2 Mn2 Si4 O12",
"formula_reduced": "LiMn(SiO3)2",
"formula_anonymous": "ABC2D6",
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"spacegroup": 15
},
{
"id": "jvasp-71809",
"created_at": "2022-09-04T14:36:15.748385Z",
"updated_at": "2022-09-04T14:36:15.748411Z",
"structure_string": "Mn2 Be1 Ni1\n1.0\n-1.616018 1.616018 3.833625\n1.616018 -1.616018 3.833625\n1.616018 1.616018 -3.833625\nMn Be Ni\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Mn\n0.499999 0.499999 0.000000 Mn\n0.750000 0.250000 0.500001 Be\n0.250000 0.750000 0.500001 Ni\n",
"nsites": 4,
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],
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"density_atomic": 0.09988447327650267,
"volume": 40.04626413684038,
"volume_molar": 6.029105988604816,
"formula_full": "Mn2 Be1 Ni1",
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"formula_anonymous": "ABC2",
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"spacegroup": 139
},
{
"id": "jvasp-39455",
"created_at": "2022-09-04T14:38:01.151695Z",
"updated_at": "2022-09-04T14:38:01.151738Z",
"structure_string": "Pt1 Rh3\n1.0\n3.868174 0.000000 0.000000\n-0.000000 3.868174 0.000000\n-0.000000 -0.000000 3.868174\nPt Rh\n1 3\ndirect\n0.000000 0.000000 0.000000 Pt\n0.500000 0.000000 0.500000 Rh\n0.500000 0.500000 0.000000 Rh\n0.000000 0.500000 0.500000 Rh\n",
"nsites": 4,
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"elements": [
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],
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"density": 14.454054475497738,
"density_atomic": 0.06911017407425045,
"volume": 57.87859824665596,
"volume_molar": 8.713826640821285,
"formula_full": "Pt1 Rh3",
"formula_reduced": "PtRh3",
"formula_anonymous": "AB3",
"energy_above_hull": 2.8194626,
"spacegroup": 221
},
{
"id": "jvasp-53515",
"created_at": "2022-09-04T14:36:12.175427Z",
"updated_at": "2022-09-04T14:36:12.175444Z",
"structure_string": "Mn4 Sb2 Te2\n1.0\n3.816151 0.009861 0.002014\n-0.017544 6.582199 0.003453\n-0.003794 -0.003874 7.232876\nMn Sb Te\n4 2 2\ndirect\n0.498672 0.166776 0.756061 Mn\n-0.001467 0.666781 0.749343 Mn\n0.998475 0.335536 0.256062 Mn\n0.498575 0.835523 0.249354 Mn\n0.998579 0.001183 0.002717 Sb\n0.498553 0.501161 0.502718 Sb\n-0.001372 0.001173 0.502729 Te\n0.498424 0.501178 0.002703 Te\n",
"nsites": 8,
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"elements": [
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"Te"
],
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"density": 6.56671611629855,
"density_atomic": 0.044033091215280235,
"volume": 181.681544020781,
"volume_molar": 13.676397894840992,
"formula_full": "Mn4 Sb2 Te2",
"formula_reduced": "Mn2SbTe",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.819392087356322,
"spacegroup": 58
},
{
"id": "jvasp-9663",
"created_at": "2022-09-04T14:37:28.589641Z",
"updated_at": "2022-09-04T14:37:28.589659Z",
"structure_string": "Y2 Co4 O8\n1.0\n5.002899 0.104473 -2.478788\n-1.345943 4.800947 -2.514521\n-0.032436 0.003638 6.225131\nY Co O\n2 4 8\ndirect\n0.874999 0.124999 0.749997 Y\n0.125001 0.875002 0.250002 Y\n0.500000 -0.000000 -0.000000 Co\n0.500000 0.500000 0.000000 Co\n-0.000000 0.500001 0.500000 Co\n0.500000 0.500000 0.500000 Co\n0.713865 0.526507 0.850315 O\n0.136450 0.823810 0.850316 O\n0.286135 0.473493 0.149684 O\n0.863550 0.176190 0.149684 O\n0.526494 0.136432 0.350311 O\n0.823818 0.713879 0.350312 O\n0.176182 0.286121 0.649688 O\n0.473506 0.863569 0.649688 O\n",
"nsites": 14,
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"elements": [
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"O"
],
"chemical_system": "Co-O-Y",
"density": 5.991988327274911,
"density_atomic": 0.09328667478666595,
"volume": 150.07502445570188,
"volume_molar": 6.455520870233422,
"formula_full": "Y2 Co4 O8",
"formula_reduced": "Y(CoO2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.819383035714286,
"spacegroup": 88
},
{
"id": "jvasp-112453",
"created_at": "2022-09-04T14:38:40.307730Z",
"updated_at": "2022-09-04T14:38:40.307759Z",
"structure_string": "Li3 V3 Si6 O18\n1.0\n7.126753 0.019796 1.507421\n-0.363694 6.434512 -3.439408\n-0.078561 0.046013 7.023319\nLi V Si O\n3 3 6 18\ndirect\n0.241817 0.760446 0.376443 Li\n0.500000 0.500000 0.500000 Li\n0.758184 0.239553 0.623557 Li\n0.226202 0.741840 0.953249 V\n0.500000 0.500000 -0.000000 V\n0.773798 0.258160 0.046750 V\n0.830944 0.709669 0.760086 Si\n0.842429 0.754136 0.322347 Si\n0.386309 0.018050 0.795083 Si\n0.157571 0.245864 0.677652 Si\n0.169056 0.290331 0.239914 Si\n0.613692 0.981950 0.204917 Si\n0.726467 0.959805 0.375749 O\n0.829511 0.752043 0.553217 O\n0.764610 0.932258 0.976158 O\n0.673270 0.523682 0.755295 O\n0.561454 0.192172 0.852857 O\n0.716359 0.555620 0.163677 O\n0.579533 0.220630 0.282622 O\n0.273533 0.040195 0.624250 O\n0.170489 0.247957 0.446783 O\n0.283641 0.444380 0.836322 O\n0.438547 0.807828 0.147142 O\n0.326730 0.476318 0.244705 O\n0.235390 0.067741 0.023841 O\n0.963385 0.333799 0.227656 O\n0.036615 0.666201 0.772344 O\n0.057426 0.770766 0.219315 O\n0.420468 0.779370 0.717378 O\n0.942574 0.229234 0.780685 O\n",
"nsites": 30,
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"elements": [
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],
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"density": 3.229691462291313,
"density_atomic": 0.09259540996691694,
"volume": 323.99014174372775,
"volume_molar": 6.503714128110269,
"formula_full": "Li3 V3 Si6 O18",
"formula_reduced": "LiV(SiO3)2",
"formula_anonymous": "ABC2D6",
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"spacegroup": 2
},
{
"id": "jvasp-44507",
"created_at": "2022-09-04T14:36:54.273501Z",
"updated_at": "2022-09-04T14:36:54.273520Z",
"structure_string": "Li4 Mn2 B2 As2 O14\n1.0\n0.000000 5.103626 0.020816\n6.335291 0.000000 0.000000\n0.000000 -0.521997 -8.633073\nLi Mn B As O\n4 2 2 2 14\ndirect\n0.767561 0.478716 0.191740 Li\n0.767561 0.021284 0.191740 Li\n0.232439 0.521284 0.808259 Li\n0.232439 0.978716 0.808259 Li\n0.209219 0.250000 0.321200 Mn\n0.790781 0.750000 0.678799 Mn\n0.268974 0.250000 0.050175 B\n0.731026 0.750000 0.949824 B\n0.279505 0.750000 0.427312 As\n0.720495 0.250000 0.572687 As\n0.531630 0.750000 0.826604 O\n0.818871 0.046197 0.692249 O\n0.818871 0.453802 0.692249 O\n0.140926 0.750000 0.602384 O\n0.385901 0.250000 0.525929 O\n0.614099 0.750000 0.474070 O\n0.026656 0.250000 0.122318 O\n0.181129 0.546197 0.307750 O\n0.181129 0.953802 0.307750 O\n0.468371 0.250000 0.173395 O\n0.973344 0.750000 0.877681 O\n0.698411 0.750000 0.099687 O\n0.859074 0.250000 0.397616 O\n0.301589 0.250000 0.900312 O\n",
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],
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"density": 3.172134116452042,
"density_atomic": 0.08600179902969922,
"volume": 279.06392971747044,
"volume_molar": 7.002342774155642,
"formula_full": "Li4 Mn2 B2 As2 O14",
"formula_reduced": "Li2MnBAsO7",
"formula_anonymous": "ABCD2E7",
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"spacegroup": 11
},
{
"id": "jvasp-68009",
"created_at": "2022-09-04T14:35:52.517729Z",
"updated_at": "2022-09-04T14:35:52.517756Z",
"structure_string": "Be1 V2 Pb1\n1.0\n-1.929348 1.929348 4.077104\n1.929348 -1.929348 4.077104\n1.929348 1.929348 -4.077104\nBe V Pb\n1 2 1\ndirect\n0.499999 0.499999 0.000000 Be\n0.000000 0.000000 0.000000 V\n0.250000 0.750000 0.500001 V\n0.750000 0.250000 0.500001 Pb\n",
"nsites": 4,
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],
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"density": 8.701082153881556,
"density_atomic": 0.06589114765417192,
"volume": 60.70618197445736,
"volume_molar": 9.139529321308922,
"formula_full": "Be1 V2 Pb1",
"formula_reduced": "BeV2Pb",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.8189438300000003,
"spacegroup": 119
},
{
"id": "jvasp-56815",
"created_at": "2022-09-04T14:37:44.347356Z",
"updated_at": "2022-09-04T14:37:44.347382Z",
"structure_string": "Tl1 C1\n1.0\n3.088595 -0.000000 1.783201\n1.029531 2.911954 1.783201\n-0.000000 -0.000000 3.566402\nTl C\n1 1\ndirect\n0.000000 0.000000 0.000000 Tl\n0.499999 0.499999 0.500000 C\n",
"nsites": 2,
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"elements": [
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],
"chemical_system": "C-Tl",
"density": 11.202592624342305,
"density_atomic": 0.062352551072618584,
"volume": 32.075672375789566,
"volume_molar": 9.65821070093242,
"formula_full": "Tl1 C1",
"formula_reduced": "TlC",
"formula_anonymous": "AB",
"energy_above_hull": 2.8187513,
"spacegroup": 225
}
]
}