HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-nsites&page=1213",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-nsites&page=1211",
"results": [
{
"id": "jvasp-23350",
"created_at": "2022-09-04T14:37:28.306397Z",
"updated_at": "2022-09-04T14:37:28.306426Z",
"structure_string": "Ce4 Zn4 Ge4\n1.0\n2.130988 -3.690980 -0.000000\n2.130988 3.690980 0.000000\n-0.000000 -0.000000 16.348572\nCe Zn Ge\n4 4 4\ndirect\n0.000000 0.000000 0.750000 Ce\n0.000000 0.000000 0.250000 Ce\n0.000000 0.000000 0.500000 Ce\n0.000000 0.000000 0.000000 Ce\n0.666667 0.333333 0.860190 Zn\n0.666667 0.333333 0.639810 Zn\n0.333333 0.666667 0.139810 Zn\n0.333333 0.666667 0.360190 Zn\n0.666667 0.333333 0.116699 Ge\n0.666667 0.333333 0.383301 Ge\n0.333333 0.666667 0.883301 Ge\n0.333333 0.666667 0.616699 Ge\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Ce",
"Zn",
"Ge"
],
"chemical_system": "Ce-Ge-Zn",
"density": 7.184210634114276,
"density_atomic": 0.046660429280904775,
"volume": 257.17723100569197,
"volume_molar": 12.906312378194277,
"formula_full": "Ce4 Zn4 Ge4",
"formula_reduced": "CeZnGe",
"formula_anonymous": "ABC",
"energy_above_hull": 0.4253605472222223,
"spacegroup": 194
},
{
"id": "jvasp-52119",
"created_at": "2022-09-04T14:37:08.385582Z",
"updated_at": "2022-09-04T14:37:08.385596Z",
"structure_string": "Mn2 Re2 O8\n1.0\n0.000000 4.624848 -0.032560\n5.633897 0.000000 0.000000\n0.000000 -0.199697 -5.071016\nMn Re O\n2 2 8\ndirect\n0.500000 0.661926 0.750001 Mn\n0.500000 0.338074 0.250000 Mn\n-0.000001 0.167917 0.750001 Re\n-0.000000 0.832084 0.250000 Re\n0.266348 0.378722 0.901611 O\n0.733652 0.378722 0.598390 O\n0.733652 0.621278 0.098390 O\n0.266348 0.621278 0.401610 O\n0.221303 0.890870 0.933023 O\n0.778696 0.890870 0.566978 O\n0.221304 0.109130 0.433022 O\n0.778697 0.109130 0.066978 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Mn",
"Re",
"O"
],
"chemical_system": "Mn-O-Re",
"density": 7.667614373140846,
"density_atomic": 0.09079449330540591,
"volume": 132.166605739354,
"volume_molar": 6.632715862781781,
"formula_full": "Mn2 Re2 O8",
"formula_reduced": "MnReO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 3.570261540229885,
"spacegroup": 13
},
{
"id": "jvasp-58281",
"created_at": "2022-09-04T14:37:34.111658Z",
"updated_at": "2022-09-04T14:37:34.111668Z",
"structure_string": "Pr2 Co8 B2\n1.0\n2.555142 -4.425637 -0.000000\n2.555142 4.425637 -0.000000\n0.000000 0.000000 6.839244\nPr Co B\n2 8 2\ndirect\n0.000000 0.000000 0.500000 Pr\n0.000000 0.000000 0.000000 Pr\n0.500000 0.500000 0.711526 Co\n0.500000 -0.000000 0.711526 Co\n-0.000000 0.500000 0.711526 Co\n0.500000 0.500000 0.288473 Co\n0.500000 -0.000000 0.288473 Co\n-0.000000 0.500000 0.288473 Co\n0.333332 0.666667 0.000000 Co\n0.666667 0.333332 0.000000 Co\n0.666667 0.333332 0.500000 B\n0.333332 0.666667 0.500000 B\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Pr",
"Co",
"B"
],
"chemical_system": "B-Co-Pr",
"density": 8.318929378191534,
"density_atomic": 0.07758045498288353,
"volume": 154.67813385017584,
"volume_molar": 7.7624457878323305,
"formula_full": "Pr2 Co8 B2",
"formula_reduced": "PrCo4B",
"formula_anonymous": "ABC4",
"energy_above_hull": 3.533866005555556,
"spacegroup": 191
},
{
"id": "jvasp-34785",
"created_at": "2022-09-04T14:37:08.572964Z",
"updated_at": "2022-09-04T14:37:08.572986Z",
"structure_string": "K1 Na1 B2 H8\n1.0\n4.289838 -0.050717 5.805327\n1.875664 3.858388 5.805327\n-0.082122 -0.050717 7.217880\nK Na B H\n1 1 2 8\ndirect\n0.500000 0.499999 0.500001 K\n0.000000 0.000000 0.000000 Na\n0.738444 0.738443 0.738445 B\n0.261556 0.261556 0.261556 B\n0.677646 0.677644 0.677646 H\n0.322355 0.322354 0.322355 H\n0.468828 0.904852 0.904854 H\n0.904854 0.468826 0.904854 H\n0.904853 0.904852 0.468829 H\n0.095146 0.531172 0.095147 H\n0.095147 0.095146 0.531172 H\n0.531173 0.095146 0.095147 H\n",
"nsites": 12,
"nelements": 4,
"elements": [
"K",
"Na",
"B",
"H"
],
"chemical_system": "B-H-K-Na",
"density": 1.2416941651579738,
"density_atomic": 0.09777528072772952,
"volume": 122.73040701786238,
"volume_molar": 6.159164888280492,
"formula_full": "K1 Na1 B2 H8",
"formula_reduced": "KNa(BH4)2",
"formula_anonymous": "ABC2D8",
"energy_above_hull": 2.802226013888889,
"spacegroup": 166
},
{
"id": "jvasp-29080",
"created_at": "2022-09-04T14:37:34.076048Z",
"updated_at": "2022-09-04T14:37:34.076072Z",
"structure_string": "Te4 Mo2 W2 Se2 S2\n1.0\n3.404655 0.000000 0.000000\n-1.702328 2.948515 -0.000020\n0.000000 -0.000183 37.326241\nTe Mo W Se S\n4 2 2 2 2\ndirect\n0.333361 0.666722 0.328861 Te\n0.666654 0.333305 0.424520 Te\n0.666690 0.333377 0.525093 Te\n0.333328 0.666658 0.227884 Te\n0.333297 0.666595 0.094913 Mo\n0.333339 0.666676 0.474792 Mo\n0.666679 0.333357 0.278348 W\n0.666684 0.333367 0.654818 W\n0.666533 0.333065 0.050833 Se\n0.666730 0.333461 0.139091 Se\n0.333241 0.666482 0.695194 S\n0.333464 0.666928 0.614400 S\n",
"nsites": 12,
"nelements": 5,
"elements": [
"Te",
"Mo",
"W",
"Se",
"S"
],
"chemical_system": "Mo-S-Se-Te-W",
"density": 5.725642984438063,
"density_atomic": 0.03202510321657721,
"volume": 374.70605227552926,
"volume_molar": 18.80443825355963,
"formula_full": "Te4 Mo2 W2 Se2 S2",
"formula_reduced": "Te2MoWSeS",
"formula_anonymous": "ABCDE2",
"energy_above_hull": 3.4625158,
"spacegroup": 156
},
{
"id": "jvasp-28845",
"created_at": "2022-09-04T14:37:10.049302Z",
"updated_at": "2022-09-04T14:37:10.049324Z",
"structure_string": "Te2 W4 Se2 S4\n1.0\n3.314439 0.000002 0.000001\n-1.657218 2.870383 -0.000032\n0.000008 -0.000420 38.881508\nTe W Se S\n2 4 2 4\ndirect\n0.666688 0.333376 0.419319 Te\n0.666700 0.333400 0.518369 Te\n0.333321 0.666643 0.093955 W\n0.333361 0.666721 0.468872 W\n0.666695 0.333390 0.281141 W\n0.666622 0.333245 0.658978 W\n0.333294 0.666588 0.702226 Se\n0.333280 0.666561 0.615617 Se\n0.333369 0.666740 0.320615 S\n0.666655 0.333307 0.054592 S\n0.666659 0.333316 0.133400 S\n0.333352 0.666702 0.241665 S\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Te",
"W",
"Se",
"S"
],
"chemical_system": "S-Se-Te-W",
"density": 5.731369799551855,
"density_atomic": 0.03244054296953987,
"volume": 369.90749542223847,
"volume_molar": 18.5636250467648,
"formula_full": "Te2 W4 Se2 S4",
"formula_reduced": "TeW2SeS2",
"formula_anonymous": "ABC2D2",
"energy_above_hull": 3.990395188888889,
"spacegroup": 156
},
{
"id": "jvasp-28915",
"created_at": "2022-09-04T14:37:34.054451Z",
"updated_at": "2022-09-04T14:37:34.054468Z",
"structure_string": "Mo2 W2 Se4 S4\n1.0\n3.258875 0.000000 -0.000000\n-1.629438 2.822126 -0.001738\n-0.000000 -0.020665 32.755204\nMo W Se S\n2 2 4 4\ndirect\n0.331900 0.663802 0.470041 Mo\n0.668099 0.336201 0.281417 Mo\n0.333011 0.666025 0.085396 W\n0.666988 0.333978 0.666062 W\n0.334077 0.668157 0.718147 Se\n0.665922 0.331846 0.033311 Se\n0.666881 0.333762 0.137544 Se\n0.333118 0.666240 0.613914 Se\n0.335042 0.670091 0.328587 S\n0.664956 0.329912 0.422871 S\n0.665437 0.330872 0.517233 S\n0.334562 0.669131 0.234225 S\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Mo",
"W",
"Se",
"S"
],
"chemical_system": "Mo-S-Se-W",
"density": 5.532373229759532,
"density_atomic": 0.03983428293005353,
"volume": 301.24804859852094,
"volume_molar": 15.117984602796785,
"formula_full": "Mo2 W2 Se4 S4",
"formula_reduced": "MoW(SeS)2",
"formula_anonymous": "ABC2D2",
"energy_above_hull": 3.676120438888889,
"spacegroup": 164
},
{
"id": "jvasp-58279",
"created_at": "2022-09-04T14:37:34.031192Z",
"updated_at": "2022-09-04T14:37:34.031202Z",
"structure_string": "Tb4 Mg8\n1.0\n3.020126 -5.231011 -0.000000\n3.020126 5.231011 0.000000\n-0.000000 -0.000000 9.741385\nTb Mg\n4 8\ndirect\n0.333334 0.666668 0.934812 Tb\n0.666668 0.333334 0.434812 Tb\n0.666668 0.333334 0.065188 Tb\n0.333334 0.666668 0.565189 Tb\n0.000000 0.000000 0.000000 Mg\n0.000000 0.000000 0.500000 Mg\n0.828941 0.171061 0.750000 Mg\n0.171060 0.342119 0.250000 Mg\n0.657882 0.828941 0.250000 Mg\n0.342119 0.171060 0.750000 Mg\n0.828941 0.657882 0.750000 Mg\n0.171061 0.828941 0.250000 Mg\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Tb",
"Mg"
],
"chemical_system": "Mg-Tb",
"density": 4.47857417588376,
"density_atomic": 0.038987002600655934,
"volume": 307.7948854626261,
"volume_molar": 15.446534378866767,
"formula_full": "Tb4 Mg8",
"formula_reduced": "TbMg2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.1654598222222223,
"spacegroup": 194
},
{
"id": "jvasp-10705",
"created_at": "2022-09-04T14:37:10.084659Z",
"updated_at": "2022-09-04T14:37:10.084684Z",
"structure_string": "Hg2 Se2 O8\n1.0\n4.967374 0.000000 0.000000\n0.000000 5.082986 0.000000\n0.000000 0.000000 6.817665\nHg Se O\n2 2 8\ndirect\n0.148532 0.500817 0.500000 Hg\n0.851467 0.000817 0.000000 Hg\n0.656972 0.980884 0.500000 Se\n0.343027 0.480884 0.000000 Se\n0.698414 0.306806 0.500000 O\n0.301585 0.806806 0.000000 O\n0.325227 0.924322 0.500000 O\n0.674772 0.424322 0.000000 O\n0.806042 0.829487 0.692604 O\n0.193957 0.329487 0.807397 O\n0.193957 0.329487 0.192604 O\n0.806042 0.829487 0.307397 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Hg",
"Se",
"O"
],
"chemical_system": "Hg-O-Se",
"density": 6.628031766993193,
"density_atomic": 0.06971075963222263,
"volume": 172.1398542105859,
"volume_molar": 8.638753603850224,
"formula_full": "Hg2 Se2 O8",
"formula_reduced": "HgSeO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.645738661111111,
"spacegroup": 31
},
{
"id": "jvasp-23427",
"created_at": "2022-09-04T14:37:34.017873Z",
"updated_at": "2022-09-04T14:37:34.017890Z",
"structure_string": "As8 Pd4\n1.0\n6.089050 -0.000000 -0.000000\n0.000000 6.089050 0.000000\n-0.000000 0.000000 6.089050\nAs Pd\n8 4\ndirect\n0.383158 0.116842 0.883158 As\n0.116842 0.883158 0.383158 As\n0.883158 0.383158 0.116842 As\n0.616842 0.616842 0.616842 As\n0.383158 0.383158 0.383158 As\n0.116842 0.616842 0.883158 As\n0.883158 0.116842 0.616842 As\n0.616842 0.883158 0.116842 As\n0.000000 0.500000 0.500000 Pd\n0.500000 0.500000 0.000000 Pd\n0.500000 0.000000 0.500000 Pd\n0.000000 0.000000 0.000000 Pd\n",
"nsites": 12,
"nelements": 2,
"elements": [
"As",
"Pd"
],
"chemical_system": "As-Pd",
"density": 7.539572348031456,
"density_atomic": 0.05315359282847469,
"volume": 225.76084440281767,
"volume_molar": 11.329696525751883,
"formula_full": "As8 Pd4",
"formula_reduced": "As2Pd",
"formula_anonymous": "AB2",
"energy_above_hull": 1.7661697333333333,
"spacegroup": 205
},
{
"id": "jvasp-23752",
"created_at": "2022-09-04T14:37:34.017454Z",
"updated_at": "2022-09-04T14:37:34.017474Z",
"structure_string": "Er4 Si4 Ru4\n1.0\n4.318864 0.000000 0.000000\n-0.000000 6.932470 0.000000\n0.000000 0.000000 7.089968\nEr Si Ru\n4 4 4\ndirect\n0.250000 0.986231 0.812653 Er\n0.749999 0.013769 0.187347 Er\n0.250000 0.486231 0.687347 Er\n0.749999 0.513769 0.312653 Er\n0.250000 0.302407 0.106524 Si\n0.749999 0.697593 0.893476 Si\n0.250000 0.802407 0.393476 Si\n0.749999 0.197593 0.606524 Si\n0.749999 0.844715 0.566225 Ru\n0.250000 0.155285 0.433775 Ru\n0.749999 0.344715 0.933775 Ru\n0.250000 0.655285 0.066225 Ru\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Er",
"Si",
"Ru"
],
"chemical_system": "Er-Ru-Si",
"density": 9.274846508324105,
"density_atomic": 0.056530059649400805,
"volume": 212.27644326618352,
"volume_molar": 10.652988511509262,
"formula_full": "Er4 Si4 Ru4",
"formula_reduced": "ErSiRu",
"formula_anonymous": "ABC",
"energy_above_hull": 2.389543033333333,
"spacegroup": 62
},
{
"id": "jvasp-20186",
"created_at": "2022-09-04T14:37:33.985427Z",
"updated_at": "2022-09-04T14:37:33.985448Z",
"structure_string": "Hf4 Re8\n1.0\n2.638734 -4.570420 -0.000000\n2.638734 4.570420 0.000000\n-0.000000 0.000000 8.646776\nHf Re\n4 8\ndirect\n0.333332 0.666666 0.937790 Hf\n0.666666 0.333332 0.437789 Hf\n0.666666 0.333332 0.062211 Hf\n0.333332 0.666666 0.562211 Hf\n0.000000 0.000000 0.000000 Re\n0.000000 0.000000 0.500000 Re\n0.827999 0.172000 0.750000 Re\n0.172000 0.343999 0.250000 Re\n0.655999 0.827999 0.250000 Re\n0.343999 0.172000 0.750000 Re\n0.827999 0.655999 0.750000 Re\n0.172000 0.827999 0.250000 Re\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Hf",
"Re"
],
"chemical_system": "Hf-Re",
"density": 17.544826824652674,
"density_atomic": 0.05753674875353701,
"volume": 208.56235814440788,
"volume_molar": 10.466598983192972,
"formula_full": "Hf4 Re8",
"formula_reduced": "HfRe2",
"formula_anonymous": "AB2",
"energy_above_hull": 5.595779666666665,
"spacegroup": 194
}
]
}