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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-volume&page=1199",
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"results": [
{
"id": "jvasp-12513",
"created_at": "2022-09-04T14:37:26.651891Z",
"updated_at": "2022-09-04T14:37:26.651906Z",
"structure_string": "I4 O12\n1.0\n5.033994 -0.064551 -0.048381\n-1.716998 6.608493 -0.003608\n-0.708478 -1.186999 6.741187\nI O\n4 12\ndirect\n0.003405 0.172141 0.672881 I\n0.996593 0.827858 0.327119 I\n0.797182 0.658957 0.776720 I\n0.202816 0.341043 0.223280 I\n0.225258 0.982895 0.585147 O\n0.774741 0.017105 0.414853 O\n0.792732 0.956955 0.801406 O\n0.207266 0.043044 0.198594 O\n0.842527 0.298858 0.150448 O\n0.157471 0.701142 0.849552 O\n0.784824 0.630741 0.477121 O\n0.215174 0.369259 0.522879 O\n0.267096 0.295750 0.895055 O\n0.732902 0.704249 0.104945 O\n0.257953 0.686598 0.295968 O\n0.742045 0.313401 0.704033 O\n",
"nsites": 16,
"nelements": 2,
"elements": [
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"volume_molar": 8.399600566692511,
"formula_full": "I4 O12",
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{
"id": "jvasp-43816",
"created_at": "2022-09-04T14:36:16.395632Z",
"updated_at": "2022-09-04T14:36:16.395651Z",
"structure_string": "Li4 Fe4 F12\n1.0\n5.001558 -0.032942 0.082724\n-2.491362 4.510547 -0.018994\n-1.548922 -1.931891 9.892364\nLi Fe F\n4 4 12\ndirect\n0.252674 0.512053 0.947568 Li\n0.022075 0.289587 0.570094 Li\n-0.040016 0.717591 0.443378 Li\n0.768541 0.503420 0.056736 Li\n0.577855 0.965981 0.248341 Fe\n0.151943 0.250869 0.246370 Fe\n0.779312 0.751891 0.755033 Fe\n0.492347 0.034197 0.750597 Fe\n0.573114 0.655107 0.354739 F\n0.472572 0.218802 0.136669 F\n0.159558 0.553142 0.123821 F\n0.193307 0.790398 0.863221 F\n0.930852 0.337817 0.391673 F\n0.893050 0.141928 0.880535 F\n0.385941 0.653651 0.621556 F\n0.547595 0.444721 0.875315 F\n0.252622 0.991252 0.355619 F\n0.060056 0.969527 0.621363 F\n0.732347 0.347723 0.644216 F\n0.794272 0.870155 0.113150 F\n",
"nsites": 20,
"nelements": 3,
"elements": [
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"Fe",
"F"
],
"chemical_system": "F-Fe-Li",
"density": 3.565353620746902,
"density_atomic": 0.08962616691897826,
"volume": 223.14911691001947,
"volume_molar": 6.7191769625091675,
"formula_full": "Li4 Fe4 F12",
"formula_reduced": "LiFeF3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.2934172695000001,
"spacegroup": 1
},
{
"id": "jvasp-86142",
"created_at": "2022-09-04T14:35:48.159786Z",
"updated_at": "2022-09-04T14:35:48.159806Z",
"structure_string": "Yb4 Ge4 Ir4\n1.0\n4.356461 -0.000000 0.000000\n0.000000 7.111639 0.000000\n0.000000 0.000000 7.202290\nYb Ge Ir\n4 4 4\ndirect\n0.250000 0.005071 0.683742 Yb\n0.750000 0.494929 0.183742 Yb\n0.750000 0.994929 0.316258 Yb\n0.250000 0.505071 0.816258 Yb\n0.750000 0.301799 0.608401 Ge\n0.250000 0.198201 0.108401 Ge\n0.750000 0.801799 0.891599 Ge\n0.250000 0.698201 0.391599 Ge\n0.250000 0.343190 0.429006 Ir\n0.250000 0.843190 0.070994 Ir\n0.750000 0.156810 0.929006 Ir\n0.750000 0.656810 0.570994 Ir\n",
"nsites": 12,
"nelements": 3,
"elements": [
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"Ge",
"Ir"
],
"chemical_system": "Ge-Ir-Yb",
"density": 13.034876507600705,
"density_atomic": 0.053778304814910236,
"volume": 223.13830905047337,
"volume_molar": 11.198085883752771,
"formula_full": "Yb4 Ge4 Ir4",
"formula_reduced": "YbGeIr",
"formula_anonymous": "ABC",
"energy_above_hull": 1.0897825833333328,
"spacegroup": 62
},
{
"id": "jvasp-86744",
"created_at": "2022-09-04T14:35:53.344941Z",
"updated_at": "2022-09-04T14:35:53.344958Z",
"structure_string": "Yb4 Ge4 Ir4\n1.0\n4.356461 0.000000 0.000000\n-0.000000 7.111639 0.000000\n0.000000 0.000000 7.202290\nYb Ge Ir\n4 4 4\ndirect\n0.250000 0.005071 0.683742 Yb\n0.750000 0.494929 0.183742 Yb\n0.750000 0.994929 0.316258 Yb\n0.250000 0.505071 0.816258 Yb\n0.750000 0.301799 0.608401 Ge\n0.250000 0.198201 0.108401 Ge\n0.750000 0.801799 0.891599 Ge\n0.250000 0.698201 0.391599 Ge\n0.250000 0.343190 0.429006 Ir\n0.250000 0.843190 0.070994 Ir\n0.750000 0.156810 0.929006 Ir\n0.750000 0.656810 0.570994 Ir\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Yb",
"Ge",
"Ir"
],
"chemical_system": "Ge-Ir-Yb",
"density": 13.034876507600705,
"density_atomic": 0.053778304814910236,
"volume": 223.13830905047337,
"volume_molar": 11.198085883752771,
"formula_full": "Yb4 Ge4 Ir4",
"formula_reduced": "YbGeIr",
"formula_anonymous": "ABC",
"energy_above_hull": 1.0897825833333328,
"spacegroup": 62
},
{
"id": "jvasp-112182",
"created_at": "2022-09-04T14:38:41.953865Z",
"updated_at": "2022-09-04T14:38:41.953887Z",
"structure_string": "Cd1 H14 C9 O4\n1.0\n4.225863 0.138091 0.360918\n0.881066 4.121010 0.202062\n0.203288 0.216112 12.927102\nCd H C O\n1 14 9 4\ndirect\n0.063111 0.991661 0.829569 Cd\n0.266786 0.029633 0.429324 H\n0.810611 0.390157 0.162751 H\n0.823044 0.050575 0.089160 H\n0.793041 0.130000 0.337473 H\n0.865514 0.749733 0.279835 H\n0.359928 0.639621 0.377248 H\n0.776427 0.880980 0.521675 H\n0.581152 0.659203 0.018593 H\n0.220552 0.624549 0.093527 H\n0.269626 0.322700 0.255315 H\n0.331496 0.947583 0.195816 H\n0.239483 0.769304 0.604027 H\n0.376843 0.360501 0.563806 H\n0.876216 0.486516 0.471080 H\n0.355047 0.333717 0.961977 C\n0.446757 0.481686 0.053908 C\n0.655887 0.252296 0.131181 C\n0.461011 0.118294 0.222826 C\n0.670390 0.690469 0.495042 C\n0.471900 0.827729 0.402749 C\n0.457289 0.573460 0.585896 C\n0.634629 0.477779 0.683463 C\n0.669443 0.953515 0.310334 C\n0.533343 0.072176 0.924087 O\n0.549563 0.650058 0.763121 O\n0.872955 0.222033 0.680740 O\n0.087271 0.474970 0.921898 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Cd",
"H",
"C",
"O"
],
"chemical_system": "C-Cd-H-O",
"density": 2.222229581137572,
"density_atomic": 0.1254829434195833,
"volume": 223.13789617107614,
"volume_molar": 4.799170784401734,
"formula_full": "Cd1 H14 C9 O4",
"formula_reduced": "CdH14C9O4",
"formula_anonymous": "AB4C9D14",
"energy_above_hull": 4.479579419642857,
"spacegroup": 1
},
{
"id": "jvasp-22766",
"created_at": "2022-09-04T14:37:38.747026Z",
"updated_at": "2022-09-04T14:37:38.747044Z",
"structure_string": "Tb4 Mg2 Pd4\n1.0\n7.636406 -0.000000 -0.000000\n0.000000 7.636406 0.000000\n0.000000 -0.000000 3.826322\nTb Mg Pd\n4 2 4\ndirect\n0.331903 0.831903 0.500000 Tb\n0.831903 0.668098 0.500000 Tb\n0.168098 0.331903 0.500000 Tb\n0.668098 0.168098 0.500000 Tb\n0.500000 0.500000 0.000000 Mg\n0.000000 0.000000 0.000000 Mg\n0.133213 0.633214 0.000000 Pd\n0.633214 0.866787 0.000000 Pd\n0.866787 0.366787 0.000000 Pd\n0.366787 0.133213 0.000000 Pd\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Tb",
"Mg",
"Pd"
],
"chemical_system": "Mg-Pd-Tb",
"density": 8.260554031532008,
"density_atomic": 0.04481676087820361,
"volume": 223.1308065117987,
"volume_molar": 13.437251247063765,
"formula_full": "Tb4 Mg2 Pd4",
"formula_reduced": "Tb2MgPd2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.97604545,
"spacegroup": 127
},
{
"id": "jvasp-38182",
"created_at": "2022-09-04T14:37:55.884308Z",
"updated_at": "2022-09-04T14:37:55.884330Z",
"structure_string": "K1 Sr3\n1.0\n-3.014769 3.014769 6.137338\n3.014769 -3.014769 6.137338\n3.014769 3.014769 -6.137338\nK Sr\n1 3\ndirect\n0.000000 0.000000 0.000000 K\n0.749998 0.250000 0.499998 Sr\n0.250000 0.749998 0.499998 Sr\n0.500001 0.500001 0.000000 Sr\n",
"nsites": 4,
"nelements": 2,
"elements": [
"K",
"Sr"
],
"chemical_system": "K-Sr",
"density": 2.247232226637768,
"density_atomic": 0.01792717576420006,
"volume": 223.1249390652966,
"volume_molar": 33.59224475294097,
"formula_full": "K1 Sr3",
"formula_reduced": "KSr3",
"formula_anonymous": "AB3",
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"spacegroup": 139
},
{
"id": "jvasp-111819",
"created_at": "2022-09-04T14:38:53.612319Z",
"updated_at": "2022-09-04T14:38:53.612345Z",
"structure_string": "Fe4 Sn4 Pt4\n1.0\n4.018268 -0.000000 -0.000000\n-2.009134 3.479922 0.000000\n0.000000 0.000000 15.955725\nFe Sn Pt\n4 4 4\ndirect\n0.666667 0.333333 0.246038 Fe\n0.666667 0.333333 0.562304 Fe\n0.000000 0.000000 0.179723 Fe\n0.000000 0.000000 0.498596 Fe\n0.666667 0.333333 0.921893 Sn\n0.333334 0.666667 0.108369 Sn\n0.333334 0.666667 0.422242 Sn\n0.333334 0.666667 0.735823 Sn\n0.000000 0.000000 0.831714 Pt\n0.000000 0.000000 0.012630 Pt\n0.000000 0.000000 0.331188 Pt\n0.000000 0.000000 0.649482 Pt\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Fe",
"Sn",
"Pt"
],
"chemical_system": "Fe-Pt-Sn",
"density": 11.004287401238392,
"density_atomic": 0.05378439589706725,
"volume": 223.11303863978762,
"volume_molar": 11.196817700667667,
"formula_full": "Fe4 Sn4 Pt4",
"formula_reduced": "FeSnPt",
"formula_anonymous": "ABC",
"energy_above_hull": 1.8884195333333331,
"spacegroup": 156
},
{
"id": "jvasp-98485",
"created_at": "2022-09-04T14:36:05.237111Z",
"updated_at": "2022-09-04T14:36:05.237138Z",
"structure_string": "Ho4 Mn4 O12\n1.0\n5.245049 -0.000000 0.000000\n-0.000000 5.640878 0.000000\n0.000000 0.000000 7.540811\nHo Mn O\n4 4 12\ndirect\n0.980137 0.075561 0.250000 Ho\n0.519865 0.575561 0.250000 Ho\n0.019864 0.924440 0.750000 Ho\n0.480135 0.424441 0.750000 Ho\n0.499999 0.000000 0.000000 Mn\n0.000000 0.500000 0.000000 Mn\n0.000000 0.500000 0.500000 Mn\n0.499999 0.000000 0.500000 Mn\n0.388658 0.963533 0.250000 O\n0.888659 0.536468 0.750000 O\n0.694554 0.309330 0.444072 O\n0.694554 0.309330 0.055927 O\n0.194554 0.190670 0.944073 O\n0.805446 0.809329 0.444072 O\n0.305447 0.690672 0.555927 O\n0.305447 0.690672 0.944073 O\n0.805446 0.809329 0.055927 O\n0.194554 0.190670 0.555927 O\n0.111341 0.463534 0.250000 O\n0.611340 0.036468 0.750000 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
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"O"
],
"chemical_system": "Ho-Mn-O",
"density": 7.974680357573304,
"density_atomic": 0.08964285566194097,
"volume": 223.1075734068929,
"volume_molar": 6.717926058391708,
"formula_full": "Ho4 Mn4 O12",
"formula_reduced": "HoMnO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.162542661609195,
"spacegroup": 62
},
{
"id": "jvasp-116471",
"created_at": "2022-09-04T14:38:31.585166Z",
"updated_at": "2022-09-04T14:38:31.585196Z",
"structure_string": "Ho4 Si4 Pt4\n1.0\n4.284092 -0.000000 0.000000\n0.000000 6.973707 0.000000\n0.000000 0.000000 7.467211\nHo Si Pt\n4 4 4\ndirect\n0.250000 0.496949 0.701001 Ho\n0.250000 0.996950 0.798999 Ho\n0.750000 0.503051 0.298999 Ho\n0.750000 0.003051 0.201001 Ho\n0.250000 0.811518 0.411540 Si\n0.250000 0.311517 0.088460 Si\n0.750000 0.188483 0.588460 Si\n0.750000 0.688483 0.911540 Si\n0.250000 0.201699 0.415226 Pt\n0.250000 0.701699 0.084774 Pt\n0.750000 0.798302 0.584774 Pt\n0.750000 0.298301 0.915226 Pt\n",
"nsites": 12,
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"elements": [
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],
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"density": 11.555044480203678,
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"volume": 223.09041352615142,
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"formula_full": "Ho4 Si4 Pt4",
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"formula_anonymous": "ABC",
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"spacegroup": 62
},
{
"id": "jvasp-113221",
"created_at": "2022-09-04T14:38:47.389357Z",
"updated_at": "2022-09-04T14:38:47.389381Z",
"structure_string": "Li4 Fe4 F12\n1.0\n6.291371 -0.194317 0.507391\n0.981359 6.217398 0.507391\n0.197574 0.163626 5.702810\nLi Fe F\n4 4 12\ndirect\n0.651879 0.651880 0.856688 Li\n0.679207 0.320793 0.500000 Li\n0.320793 0.679207 0.500000 Li\n0.348120 0.348121 0.143312 Li\n0.765395 0.765395 0.247878 Fe\n0.844623 0.155376 -0.000000 Fe\n0.155377 0.844623 -0.000000 Fe\n0.234604 0.234605 0.752122 Fe\n0.713127 0.066057 0.335688 F\n0.066057 0.713128 0.335688 F\n0.224424 0.536700 0.879633 F\n0.536699 0.224425 0.879633 F\n0.775575 0.463300 0.120367 F\n0.627748 0.627749 0.553912 F\n0.286872 0.933944 0.664312 F\n0.933943 0.286873 0.664312 F\n0.372251 0.372252 0.446088 F\n0.851271 0.851272 0.871842 F\n0.463301 0.775575 0.120367 F\n0.148728 0.148728 0.128158 F\n",
"nsites": 20,
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"elements": [
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"F"
],
"chemical_system": "F-Fe-Li",
"density": 3.5665420082933883,
"density_atomic": 0.08965604070764988,
"volume": 223.07476263887153,
"volume_molar": 6.716938103074368,
"formula_full": "Li4 Fe4 F12",
"formula_reduced": "LiFeF3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.2978512695,
"spacegroup": 12
},
{
"id": "jvasp-86915",
"created_at": "2022-09-04T14:35:49.526625Z",
"updated_at": "2022-09-04T14:35:49.526655Z",
"structure_string": "Ba2 Cu2 Sn4\n1.0\n4.707330 0.000000 -0.000000\n0.000000 4.716230 -1.150124\n-0.000000 -0.045302 10.059043\nBa Cu Sn\n2 2 4\ndirect\n0.250000 0.607796 0.215591 Ba\n0.750000 0.392205 0.784409 Ba\n0.750000 0.179454 0.358908 Cu\n0.250000 0.820547 0.641092 Cu\n0.250000 0.956632 0.913264 Sn\n0.750000 0.043369 0.086736 Sn\n0.750000 0.750320 0.500640 Sn\n0.250000 0.249680 0.499360 Sn\n",
"nsites": 8,
"nelements": 3,
"elements": [
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],
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"density": 6.525211272076384,
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"volume": 223.07404887618912,
"volume_molar": 16.792291527944133,
"formula_full": "Ba2 Cu2 Sn4",
"formula_reduced": "BaCuSn2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 63
}
]
}