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=-created_at&page=1250",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-created_at&page=1248",
"results": [
{
"id": "jvasp-25775",
"created_at": "2022-09-04T14:38:07.193244Z",
"updated_at": "2022-09-04T14:38:07.193263Z",
"structure_string": "Cd4 Bi2 As2 O12\n1.0\n5.697847 0.000000 0.000000\n0.000000 6.939827 -2.129603\n0.000000 0.169732 7.257244\nCd Bi As O\n4 2 2 12\ndirect\n0.367514 0.593284 0.815882 Cd\n0.367514 0.184117 0.406716 Cd\n0.867514 0.406716 0.184117 Cd\n0.867514 0.815883 0.593284 Cd\n0.374841 0.096866 0.903133 Bi\n0.874842 0.903134 0.096867 Bi\n0.355613 0.665950 0.334050 As\n0.855614 0.334050 0.665950 As\n0.321396 0.519369 0.480631 O\n0.717001 0.434724 0.883134 O\n0.717001 0.116866 0.565276 O\n0.651332 0.703137 0.296864 O\n0.821396 0.480631 0.519369 O\n0.217001 0.883134 0.434724 O\n0.619600 0.153191 0.157992 O\n0.119600 0.846809 0.842008 O\n0.151332 0.296864 0.703136 O\n0.619600 0.842008 0.846809 O\n0.119600 0.157992 0.153191 O\n0.217001 0.565276 0.116866 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Cd",
"Bi",
"As",
"O"
],
"chemical_system": "As-Bi-Cd-O",
"density": 6.948591284548677,
"density_atomic": 0.06919792157453629,
"volume": 289.02602195149854,
"volume_molar": 8.70277693747387,
"formula_full": "Cd4 Bi2 As2 O12",
"formula_reduced": "Cd2BiAsO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 1.5276446549999996,
"spacegroup": 36
},
{
"id": "jvasp-30728",
"created_at": "2022-09-04T14:38:07.191347Z",
"updated_at": "2022-09-04T14:38:07.191369Z",
"structure_string": "Sn2 O4\n1.0\n-2.801500 -1.641605 -0.031145\n0.007417 3.208329 -0.500705\n-0.974756 1.838030 -9.298155\nSn O\n2 4\ndirect\n0.997628 0.999528 0.502068 Sn\n0.997934 -0.000049 0.002080 Sn\n0.740161 0.484556 0.388342 O\n0.588954 0.182055 0.115462 O\n0.255091 0.514510 0.615801 O\n0.406908 0.817837 0.888704 O\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Sn",
"O"
],
"chemical_system": "O-Sn",
"density": 6.257810347602976,
"density_atomic": 0.07501635228136563,
"volume": 79.9825613686954,
"volume_molar": 8.027770715127032,
"formula_full": "Sn2 O4",
"formula_reduced": "SnO2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.0186629000000005,
"spacegroup": 166
},
{
"id": "jvasp-41103",
"created_at": "2022-09-04T14:38:07.190775Z",
"updated_at": "2022-09-04T14:38:07.190806Z",
"structure_string": "Ta2 Mo1 Ru1\n1.0\n-0.000000 3.195745 3.195745\n3.195745 -0.000000 3.195745\n3.195745 3.195745 -0.000000\nTa Mo Ru\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Ta\n0.499999 0.499999 0.499999 Ta\n0.250000 0.250000 0.250000 Mo\n0.749999 0.749999 0.749999 Ru\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ta",
"Mo",
"Ru"
],
"chemical_system": "Mo-Ru-Ta",
"density": 14.218092420440307,
"density_atomic": 0.06127927822691985,
"volume": 65.27492026240624,
"volume_molar": 9.827368947949664,
"formula_full": "Ta2 Mo1 Ru1",
"formula_reduced": "Ta2MoRu",
"formula_anonymous": "ABC2",
"energy_above_hull": 5.880466199999999,
"spacegroup": 225
},
{
"id": "jvasp-77026",
"created_at": "2022-09-04T14:38:07.186233Z",
"updated_at": "2022-09-04T14:38:07.186259Z",
"structure_string": "Li1 Pd1 Pb2\n1.0\n-11.305255 4.162626 0.270448\n-7.973677 1.418523 2.660009\n-6.545552 5.457875 0.186421\nLi Pd Pb\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.000000 0.000000 Pd\n0.749683 0.000872 0.000872 Pb\n0.250316 -0.000871 -0.000871 Pb\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Pd",
"Pb"
],
"chemical_system": "Li-Pb-Pd",
"density": 10.238824407554572,
"density_atomic": 0.04673300362893469,
"volume": 85.59261526950954,
"volume_molar": 12.886269429237796,
"formula_full": "Li1 Pd1 Pb2",
"formula_reduced": "LiPdPb2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.6503268350000001,
"spacegroup": 225
},
{
"id": "jvasp-42913",
"created_at": "2022-09-04T14:38:07.184957Z",
"updated_at": "2022-09-04T14:38:07.184984Z",
"structure_string": "Co6 O2 F10\n1.0\n5.536239 -0.002975 -0.012860\n1.868053 5.260226 -0.013015\n2.305696 1.585843 6.802287\nCo O F\n6 2 10\ndirect\n0.499999 0.500001 0.000000 Co\n0.500000 0.500000 0.500001 Co\n0.873921 0.800576 0.162521 Co\n0.826854 0.816765 0.676580 Co\n0.173145 0.183236 0.323421 Co\n0.126079 0.199425 0.837480 Co\n0.164513 0.518981 0.159251 O\n0.835486 0.481020 0.840750 O\n0.072634 0.065397 0.134467 F\n0.391081 0.408865 0.800859 F\n0.743114 0.723887 0.464606 F\n0.927366 0.934604 0.865534 F\n0.199519 0.810491 0.496732 F\n0.608919 0.591136 0.199142 F\n0.559999 0.113846 0.166777 F\n0.800481 0.189509 0.503269 F\n0.256885 0.276114 0.535395 F\n0.440001 0.886155 0.833224 F\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Co",
"O",
"F"
],
"chemical_system": "Co-F-O",
"density": 4.818263088784071,
"density_atomic": 0.09074165836914999,
"volume": 198.36534094157102,
"volume_molar": 6.636577805864065,
"formula_full": "Co6 O2 F10",
"formula_reduced": "Co3OF5",
"formula_anonymous": "AB3C5",
"energy_above_hull": 1.3292975125000002,
"spacegroup": 2
},
{
"id": "jvasp-41411",
"created_at": "2022-09-04T14:38:07.184615Z",
"updated_at": "2022-09-04T14:38:07.184641Z",
"structure_string": "Tm1 Mg1 Au2\n1.0\n0.000000 3.422310 3.422310\n3.422310 0.000000 3.422310\n3.422310 3.422310 0.000000\nTm Mg Au\n1 1 2\ndirect\n0.750000 0.750000 0.750000 Tm\n0.250000 0.250000 0.250000 Mg\n0.000000 0.000000 0.000000 Au\n0.500000 0.500000 0.500000 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Tm",
"Mg",
"Au"
],
"chemical_system": "Au-Mg-Tm",
"density": 12.162606548972057,
"density_atomic": 0.04989671528041334,
"volume": 80.16559762542478,
"volume_molar": 12.069212825245744,
"formula_full": "Tm1 Mg1 Au2",
"formula_reduced": "TmMgAu2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.1268121099999999,
"spacegroup": 225
},
{
"id": "jvasp-42662",
"created_at": "2022-09-04T14:38:07.183970Z",
"updated_at": "2022-09-04T14:38:07.184000Z",
"structure_string": "Mn8 O13 F3\n1.0\n4.879947 0.002648 -0.008752\n0.032937 5.446930 -0.002649\n0.060244 0.111986 8.787662\nMn O F\n8 13 3\ndirect\n0.750204 0.169099 0.006185 Mn\n0.268145 0.860198 0.004344 Mn\n0.264914 0.357663 0.247316 Mn\n0.747854 0.663267 0.247530 Mn\n0.246862 0.852620 0.498254 Mn\n0.746598 0.108585 0.501066 Mn\n0.229149 0.357530 0.754305 Mn\n0.743794 0.646838 0.748867 Mn\n0.425346 0.122485 0.883797 O\n0.414311 0.618274 0.864098 O\n0.913346 0.391631 0.864751 O\n0.076184 0.608608 0.630283 O\n0.573114 0.874646 0.614301 O\n0.071296 0.104903 0.617262 O\n0.084419 0.620856 0.135721 O\n0.421828 0.106863 0.382545 O\n0.419046 0.616777 0.367531 O\n0.588650 0.395110 0.137782 O\n0.589217 0.893707 0.113788 O\n0.086827 0.123642 0.117262 O\n0.924290 0.878229 0.383374 O\n0.565150 0.359824 0.622209 F\n0.917385 0.371858 0.374399 F\n0.932076 0.896798 0.883027 F\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Mn",
"O",
"F"
],
"chemical_system": "F-Mn-O",
"density": 5.008160426312132,
"density_atomic": 0.10274588864580268,
"volume": 233.5859888538755,
"volume_molar": 5.861198768507622,
"formula_full": "Mn8 O13 F3",
"formula_reduced": "Mn8O13F3",
"formula_anonymous": "A3B8C13",
"energy_above_hull": 3.363568094938937,
"spacegroup": 1
},
{
"id": "jvasp-16719",
"created_at": "2022-09-04T14:38:07.179502Z",
"updated_at": "2022-09-04T14:38:07.179525Z",
"structure_string": "Y1 Fe2 B2\n1.0\n3.413853 -0.000000 -1.187774\n-0.413260 3.388747 -1.187774\n-0.054840 -0.061934 5.342248\nY Fe B\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Y\n0.250000 0.750001 0.500001 Fe\n0.749999 0.250001 0.500001 Fe\n0.659682 0.659683 0.319365 B\n0.340318 0.340319 0.680637 B\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Y",
"Fe",
"B"
],
"chemical_system": "B-Fe-Y",
"density": 6.019549080418232,
"density_atomic": 0.08156539154378142,
"volume": 61.30050877419226,
"volume_molar": 7.383205849956017,
"formula_full": "Y1 Fe2 B2",
"formula_reduced": "Y(FeB)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 3.888912323333333,
"spacegroup": 139
},
{
"id": "jvasp-40609",
"created_at": "2022-09-04T14:38:07.168384Z",
"updated_at": "2022-09-04T14:38:07.168397Z",
"structure_string": "Al1 Ge1 Ru2\n1.0\n0.000000 3.015863 3.015863\n3.015863 -0.000000 3.015863\n3.015863 3.015863 0.000000\nAl Ge Ru\n1 1 2\ndirect\n0.250001 0.250001 0.250001 Al\n0.750000 0.750000 0.750000 Ge\n0.000000 0.000000 0.000000 Ru\n0.499999 0.499999 0.499999 Ru\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Al",
"Ge",
"Ru"
],
"chemical_system": "Al-Ge-Ru",
"density": 9.133729795603415,
"density_atomic": 0.07291135479641038,
"volume": 54.86113940920668,
"volume_molar": 8.259537594405645,
"formula_full": "Al1 Ge1 Ru2",
"formula_reduced": "AlGeRu2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.7615449375,
"spacegroup": 225
},
{
"id": "jvasp-40769",
"created_at": "2022-09-04T14:38:07.165687Z",
"updated_at": "2022-09-04T14:38:07.165710Z",
"structure_string": "Ta1 Mn1 As1\n1.0\n3.708150 -0.000001 2.140901\n1.236049 3.496078 2.140901\n-0.000001 -0.000000 4.281802\nTa Mn As\n1 1 1\ndirect\n0.249999 0.250001 0.250000 Ta\n0.500001 0.499999 0.499999 Mn\n0.999999 0.000001 -0.000000 As\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ta",
"Mn",
"As"
],
"chemical_system": "As-Mn-Ta",
"density": 9.297700119118481,
"density_atomic": 0.05404508035732075,
"volume": 55.509215272979624,
"volume_molar": 11.142810261700838,
"formula_full": "Ta1 Mn1 As1",
"formula_reduced": "TaMnAs",
"formula_anonymous": "ABC",
"energy_above_hull": 4.06390273045977,
"spacegroup": 216
},
{
"id": "jvasp-109908",
"created_at": "2022-09-04T14:38:07.165001Z",
"updated_at": "2022-09-04T14:38:07.165023Z",
"structure_string": "Li2 Mn2 F6\n1.0\n4.993537 -0.004078 0.000000\n-4.101838 2.847868 0.000000\n-0.000000 -0.000000 7.058335\nLi Mn F\n2 2 6\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.000000 0.500000 Li\n0.747886 0.252114 0.250000 Mn\n0.252114 0.747886 0.749999 Mn\n0.642086 0.357914 0.567610 F\n0.911275 0.088725 0.749999 F\n0.642086 0.357914 0.932389 F\n0.357914 0.642087 0.432389 F\n0.357914 0.642087 0.067610 F\n0.088726 0.911275 0.250000 F\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Li",
"Mn",
"F"
],
"chemical_system": "F-Li-Mn",
"density": 3.9377454859787635,
"density_atomic": 0.09974261324122596,
"volume": 100.25805094774442,
"volume_molar": 6.037680951305683,
"formula_full": "Li2 Mn2 F6",
"formula_reduced": "LiMnF3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.4177316177758621,
"spacegroup": 63
},
{
"id": "jvasp-46780",
"created_at": "2022-09-04T14:38:07.157831Z",
"updated_at": "2022-09-04T14:38:07.157869Z",
"structure_string": "Li14 Sb4 S4\n1.0\n5.649114 0.040604 0.023592\n2.122624 8.537792 0.044453\n2.093309 3.363136 9.009261\nLi Sb S\n14 4 4\ndirect\n0.551516 0.438536 0.870336 Li\n0.448483 0.561464 0.129663 Li\n0.898492 0.741380 0.200887 Li\n0.442000 0.059472 0.120971 Li\n0.659889 0.110914 0.447128 Li\n0.205618 0.348188 0.480851 Li\n0.393390 0.745099 0.330281 Li\n0.925601 0.079185 0.127753 Li\n0.794381 0.651812 0.519148 Li\n0.340110 0.889086 0.552871 Li\n0.074398 0.920815 0.872246 Li\n0.557999 0.940528 0.879029 Li\n0.101507 0.258620 0.799112 Li\n0.606609 0.254901 0.669718 Li\n0.884125 0.632172 0.876561 Sb\n0.250489 0.568660 0.634254 Sb\n0.749510 0.431340 0.365745 Sb\n0.115874 0.367828 0.123438 Sb\n0.650644 0.923330 0.336554 S\n0.734453 0.151744 0.905399 S\n0.349355 0.076670 0.663446 S\n0.265546 0.848256 0.094600 S\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Li",
"Sb",
"S"
],
"chemical_system": "Li-S-Sb",
"density": 2.7344914007531704,
"density_atomic": 0.050848848774382144,
"volume": 432.65482956388365,
"volume_molar": 11.843219473306894,
"formula_full": "Li14 Sb4 S4",
"formula_reduced": "Li7(SbS)2",
"formula_anonymous": "A2B2C7",
"energy_above_hull": 1.2176602000000003,
"spacegroup": 2
}
]
}