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=-volume&page=297",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-volume&page=295",
"results": [
{
"id": "jvasp-119680",
"created_at": "2022-09-04T14:38:36.776775Z",
"updated_at": "2022-09-04T14:38:36.776812Z",
"structure_string": "Sr8 Sb4 N12\n1.0\n6.538267 -0.015835 -0.000376\n-10.409610 5.284792 -0.000000\n0.000436 0.000859 12.413127\nSr Sb N\n8 4 12\ndirect\n0.499995 0.037571 0.855159 Sr\n0.500005 0.537576 0.644841 Sr\n0.500004 0.962428 0.144841 Sr\n0.499994 0.462423 0.355159 Sr\n0.500060 0.866824 0.575127 Sr\n0.499940 0.366764 0.924873 Sr\n0.499940 0.133175 0.424873 Sr\n0.500059 0.633234 0.075127 Sr\n0.499936 0.753687 0.340495 Sb\n0.500063 0.253750 0.159505 Sb\n0.500063 0.246312 0.659505 Sb\n0.499937 0.746249 0.840495 Sb\n0.000001 0.069351 0.750000 N\n0.000000 0.569437 0.750000 N\n-0.000000 0.430563 0.250000 N\n0.500193 0.075595 0.642164 N\n0.499807 0.575402 0.857836 N\n0.499806 0.924404 0.357836 N\n0.500192 0.424597 0.142164 N\n0.499922 0.153148 0.028190 N\n0.500077 0.653225 0.471810 N\n0.500078 0.846851 0.971810 N\n0.499922 0.346774 0.528190 N\n-0.000000 0.930649 0.250000 N\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Sr",
"Sb",
"N"
],
"chemical_system": "N-Sb-Sr",
"density": 5.275207326236413,
"density_atomic": 0.056223287765694026,
"volume": 426.86938017602324,
"volume_molar": 10.711114556474856,
"formula_full": "Sr8 Sb4 N12",
"formula_reduced": "Sr2SbN3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 2.854154745,
"spacegroup": 64
},
{
"id": "jvasp-13040",
"created_at": "2022-09-04T14:38:03.693359Z",
"updated_at": "2022-09-04T14:38:03.693372Z",
"structure_string": "Na8 Sn2 S8\n1.0\n7.824596 0.000000 0.000000\n0.000000 7.824596 -0.000000\n-0.000000 0.000000 6.971859\nNa Sn S\n8 2 8\ndirect\n0.196782 0.409591 0.030826 Na\n0.590410 0.196782 0.969174 Na\n0.409591 0.803219 0.969174 Na\n0.803219 0.590410 0.030826 Na\n0.696782 0.090409 0.469174 Na\n0.303218 0.909591 0.469174 Na\n0.909591 0.696782 0.530826 Na\n0.090409 0.303218 0.530826 Na\n0.500000 0.500000 0.500000 Sn\n0.000000 0.000000 0.000000 Sn\n0.257941 0.595884 0.690693 S\n0.742059 0.404116 0.690693 S\n0.095884 0.757941 0.190693 S\n0.242059 0.095884 0.809307 S\n0.757941 0.904116 0.809307 S\n0.904116 0.242059 0.190693 S\n0.595884 0.742059 0.309307 S\n0.404116 0.257941 0.309307 S\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Na",
"Sn",
"S"
],
"chemical_system": "Na-S-Sn",
"density": 2.637032488335148,
"density_atomic": 0.0421696564853343,
"volume": 426.8472048440805,
"volume_molar": 14.280744169908926,
"formula_full": "Na8 Sn2 S8",
"formula_reduced": "Na4SnS4",
"formula_anonymous": "AB4C4",
"energy_above_hull": 0.559716411111111,
"spacegroup": 114
},
{
"id": "jvasp-107131",
"created_at": "2022-09-04T14:36:53.127769Z",
"updated_at": "2022-09-04T14:36:53.127791Z",
"structure_string": "Rb2 Tl1 Au1 I6\n1.0\n7.318889 0.000000 4.225562\n2.439630 6.900315 4.225562\n-0.000000 -0.000000 8.451125\nRb Tl Au I\n2 1 1 6\ndirect\n0.750000 0.750000 0.749999 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Tl\n0.500000 0.500000 0.499999 Au\n0.740423 0.259577 0.259577 I\n0.259578 0.259577 0.740422 I\n0.259578 0.740422 0.740422 I\n0.259578 0.740422 0.259577 I\n0.740423 0.259577 0.740422 I\n0.740423 0.740422 0.259577 I\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Tl",
"Au",
"I"
],
"chemical_system": "Au-I-Rb-Tl",
"density": 5.188987775505634,
"density_atomic": 0.02342995191282453,
"volume": 426.80411966728957,
"volume_molar": 25.702744855843022,
"formula_full": "Rb2 Tl1 Au1 I6",
"formula_reduced": "Rb2TlAuI6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-112999",
"created_at": "2022-09-04T14:38:46.367680Z",
"updated_at": "2022-09-04T14:38:46.367725Z",
"structure_string": "Y12 Ir4\n1.0\n6.386972 -0.000000 0.000000\n0.000000 7.216002 0.000000\n-0.000000 -0.000000 9.259379\nY Ir\n12 4\ndirect\n0.630962 0.033936 0.250000 Y\n0.369038 0.966064 0.750000 Y\n0.130962 0.466064 0.750000 Y\n0.869038 0.533936 0.250000 Y\n0.173434 0.176838 0.062283 Y\n0.826565 0.823162 0.937717 Y\n0.673434 0.323162 0.937717 Y\n0.826565 0.823162 0.562283 Y\n0.326566 0.676837 0.062283 Y\n0.173434 0.176838 0.437717 Y\n0.326566 0.676837 0.437717 Y\n0.673434 0.323162 0.562283 Y\n0.454670 0.383690 0.250000 Ir\n0.545329 0.616310 0.750000 Ir\n0.954670 0.116310 0.750000 Ir\n0.045330 0.883690 0.250000 Ir\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Y",
"Ir"
],
"chemical_system": "Ir-Y",
"density": 7.143093334291267,
"density_atomic": 0.037492678235522166,
"volume": 426.7499883441486,
"volume_molar": 16.062178119605143,
"formula_full": "Y12 Ir4",
"formula_reduced": "Y3Ir",
"formula_anonymous": "AB3",
"energy_above_hull": 3.1691343624999995,
"spacegroup": 62
},
{
"id": "jvasp-19104",
"created_at": "2022-09-04T14:36:40.120144Z",
"updated_at": "2022-09-04T14:36:40.120172Z",
"structure_string": "Ca12 As4 N4\n1.0\n6.699943 -0.000000 0.000000\n0.000000 6.698078 0.000000\n0.000000 0.000000 9.508850\nCa As N\n12 4 4\ndirect\n0.039923 0.493953 0.250000 Ca\n0.717195 0.282816 0.479414 Ca\n0.782805 0.782816 0.020586 Ca\n0.282805 0.717184 0.979414 Ca\n0.282805 0.717184 0.520586 Ca\n0.217195 0.217184 0.979414 Ca\n0.217195 0.217184 0.520586 Ca\n0.717195 0.282816 0.020586 Ca\n0.960077 0.506047 0.750000 Ca\n0.539922 0.006047 0.750000 Ca\n0.460077 0.993953 0.250000 Ca\n0.782805 0.782816 0.479414 Ca\n0.001940 0.982960 0.750000 As\n0.498060 0.482960 0.750000 As\n0.501940 0.517040 0.250000 As\n0.998060 0.017040 0.250000 As\n-0.000000 0.500000 0.500000 N\n0.500000 0.000000 0.500000 N\n-0.000000 0.500000 0.000000 N\n0.500000 0.000000 0.000000 N\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Ca",
"As",
"N"
],
"chemical_system": "As-Ca-N",
"density": 3.255691101003562,
"density_atomic": 0.046868460731447126,
"volume": 426.72619684692756,
"volume_molar": 12.84902611695833,
"formula_full": "Ca12 As4 N4",
"formula_reduced": "Ca3AsN",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.0578032519999998,
"spacegroup": 62
},
{
"id": "jvasp-12475",
"created_at": "2022-09-04T14:38:12.909421Z",
"updated_at": "2022-09-04T14:38:12.909441Z",
"structure_string": "Bi4 Te7 Pb1\n1.0\n2.238824 -3.877755 0.000000\n2.238824 3.877755 -0.000000\n-0.000000 0.000000 24.574039\nBi Te Pb\n4 7 1\ndirect\n0.666666 0.333332 0.416931 Bi\n0.333332 0.666666 0.836608 Bi\n0.666666 0.333332 0.163392 Bi\n0.333332 0.666666 0.583069 Bi\n0.000000 0.000000 0.500000 Te\n0.333332 0.666666 0.346995 Te\n0.666666 0.333332 0.653005 Te\n0.000000 0.000000 0.232842 Te\n0.000000 0.000000 0.767158 Te\n0.666666 0.333332 0.919912 Te\n0.333332 0.666666 0.080088 Te\n0.000000 0.000000 0.000000 Pb\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Bi",
"Te",
"Pb"
],
"chemical_system": "Bi-Pb-Te",
"density": 7.535632810218458,
"density_atomic": 0.02812382499755774,
"volume": 426.68449263363266,
"volume_molar": 21.41295062290766,
"formula_full": "Bi4 Te7 Pb1",
"formula_reduced": "Bi4Te7Pb",
"formula_anonymous": "AB4C7",
"energy_above_hull": 1.018762698888889,
"spacegroup": 164
},
{
"id": "jvasp-119461",
"created_at": "2022-09-04T14:38:50.610522Z",
"updated_at": "2022-09-04T14:38:50.610533Z",
"structure_string": "K2 La2 Cu2 Te8\n1.0\n4.484667 -0.000000 0.000000\n0.000000 4.484667 0.000000\n-0.000000 -0.000000 21.213413\nK La Cu Te\n2 2 2 8\ndirect\n-0.000000 0.500000 0.140023 K\n0.500000 0.000000 0.859977 K\n-0.000000 0.500000 0.600049 La\n0.500000 0.000000 0.399951 La\n0.000000 0.000000 0.000000 Cu\n0.500000 0.500000 -0.000000 Cu\n0.000000 0.000000 0.722102 Te\n0.500000 0.500000 0.277898 Te\n-0.000000 0.500000 0.442244 Te\n0.500000 0.000000 0.557756 Te\n-0.000000 0.500000 0.929605 Te\n0.500000 0.000000 0.070395 Te\n0.000000 0.000000 0.277898 Te\n0.500000 0.500000 0.722102 Te\n",
"nsites": 14,
"nelements": 4,
"elements": [
"K",
"La",
"Cu",
"Te"
],
"chemical_system": "Cu-K-La-Te",
"density": 5.853248667092858,
"density_atomic": 0.03281384230237591,
"volume": 426.64921318849395,
"volume_molar": 18.35244012117399,
"formula_full": "K2 La2 Cu2 Te8",
"formula_reduced": "KLaCuTe4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 0.5450163595238097,
"spacegroup": 129
},
{
"id": "jvasp-110674",
"created_at": "2022-09-04T14:38:37.614103Z",
"updated_at": "2022-09-04T14:38:37.614131Z",
"structure_string": "K2 Y1 Au1 I6\n1.0\n7.317955 -0.000000 4.225023\n2.439318 6.899434 4.225023\n-0.000000 -0.000000 8.450046\nK Y Au I\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 Y\n0.500000 0.500000 0.500000 Au\n0.748953 0.251046 0.251047 I\n0.251046 0.251046 0.748954 I\n0.251047 0.748953 0.748954 I\n0.251047 0.748953 0.251046 I\n0.748953 0.251046 0.748954 I\n0.748953 0.748953 0.251046 I\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Y",
"Au",
"I"
],
"chemical_system": "Au-I-K-Y",
"density": 4.380570951570638,
"density_atomic": 0.02343892707065088,
"volume": 426.64068922000826,
"volume_molar": 25.692902844263045,
"formula_full": "K2 Y1 Au1 I6",
"formula_reduced": "K2YAuI6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-60623",
"created_at": "2022-09-04T14:36:01.780455Z",
"updated_at": "2022-09-04T14:36:01.780479Z",
"structure_string": "Ge6 Sb4 O18\n1.0\n3.553367 -6.154614 -0.000000\n3.553367 6.154614 -0.000000\n-0.000000 0.000000 9.752635\nGe Sb O\n6 4 18\ndirect\n0.210151 0.918501 0.250000 Ge\n0.291648 0.210151 0.750000 Ge\n0.918502 0.708352 0.750000 Ge\n0.081499 0.291648 0.250000 Ge\n0.789850 0.081499 0.750000 Ge\n0.708352 0.789850 0.250000 Ge\n0.666667 0.333333 0.018106 Sb\n0.333333 0.666667 0.518106 Sb\n0.666667 0.333333 0.481894 Sb\n0.333333 0.666667 0.981895 Sb\n0.093373 0.433286 0.099100 O\n0.195203 0.926239 0.750000 O\n0.804798 0.073762 0.250000 O\n0.926239 0.731037 0.250000 O\n0.731037 0.804798 0.750000 O\n0.660087 0.093373 0.599100 O\n0.566715 0.660088 0.099100 O\n0.906628 0.566715 0.599100 O\n0.906628 0.566715 0.900901 O\n0.339914 0.906628 0.099100 O\n0.339914 0.906628 0.400900 O\n0.433286 0.339913 0.900901 O\n0.073762 0.268964 0.750000 O\n0.093373 0.433286 0.400900 O\n0.566715 0.660088 0.400900 O\n0.660087 0.093373 0.900901 O\n0.433286 0.339913 0.599100 O\n0.268964 0.195203 0.250000 O\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Ge",
"Sb",
"O"
],
"chemical_system": "Ge-O-Sb",
"density": 4.713608175745671,
"density_atomic": 0.06563948724485119,
"volume": 426.57249736813475,
"volume_molar": 9.17457008391299,
"formula_full": "Ge6 Sb4 O18",
"formula_reduced": "Ge3Sb2O9",
"formula_anonymous": "A2B3C9",
"energy_above_hull": 2.296294396428571,
"spacegroup": 176
},
{
"id": "jvasp-59847",
"created_at": "2022-09-04T14:37:07.523197Z",
"updated_at": "2022-09-04T14:37:07.523227Z",
"structure_string": "Y2 Mn6 Se4 Cl2 O16\n1.0\n6.534475 0.000000 0.000000\n0.000000 6.970082 0.000000\n0.000000 0.000000 9.365673\nY Mn Se Cl O\n2 6 4 2 16\ndirect\n0.000000 0.714369 0.000000 Y\n0.500000 0.285631 0.500000 Y\n0.250000 0.000000 0.750000 Mn\n0.250000 0.000000 0.250000 Mn\n0.750001 0.000000 0.750000 Mn\n0.500000 0.799172 0.500000 Mn\n0.000000 0.200828 0.000000 Mn\n0.750001 0.000000 0.250000 Mn\n0.000000 0.421326 0.321872 Se\n0.500000 0.578674 0.178128 Se\n0.500000 0.578674 0.821872 Se\n0.000000 0.421326 0.678128 Se\n0.000000 0.869129 0.500000 Cl\n0.500000 0.130871 0.000000 Cl\n0.709703 0.732917 0.157690 O\n0.290298 0.732917 0.157690 O\n0.209702 0.267083 0.657690 O\n0.500000 0.000916 0.362897 O\n0.000000 -0.000916 0.137103 O\n0.790298 0.267083 0.657690 O\n0.709703 0.732917 0.842310 O\n0.000000 -0.000916 0.862896 O\n0.790298 0.267083 0.342310 O\n0.209702 0.267083 0.342310 O\n0.290298 0.732917 0.842310 O\n0.500000 0.579074 0.371309 O\n0.000000 0.420925 0.871309 O\n0.500000 0.579074 0.628691 O\n0.500000 0.000916 0.637103 O\n0.000000 0.420925 0.128691 O\n",
"nsites": 30,
"nelements": 5,
"elements": [
"Y",
"Mn",
"Se",
"Cl",
"O"
],
"chemical_system": "Cl-Mn-O-Se-Y",
"density": 4.4774006685987375,
"density_atomic": 0.07032887593023078,
"volume": 426.56731823442294,
"volume_molar": 8.562828113411367,
"formula_full": "Y2 Mn6 Se4 Cl2 O16",
"formula_reduced": "YMn3Se2ClO8",
"formula_anonymous": "ABC2D3E8",
"energy_above_hull": 3.029029064998084,
"spacegroup": 59
},
{
"id": "jvasp-108574",
"created_at": "2022-09-04T14:38:06.473944Z",
"updated_at": "2022-09-04T14:38:06.473976Z",
"structure_string": "K2 Li1 Nd1 I6\n1.0\n7.317237 0.000000 4.224609\n2.439079 6.898758 4.224609\n0.000000 0.000000 8.449218\nK Li Nd I\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Nd\n0.742582 0.257418 0.257418 I\n0.257418 0.257418 0.742582 I\n0.257418 0.742582 0.742582 I\n0.257418 0.742582 0.257418 I\n0.742582 0.257418 0.742582 I\n0.742582 0.742582 0.257418 I\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Li",
"Nd",
"I"
],
"chemical_system": "I-K-Li-Nd",
"density": 3.8574771432573485,
"density_atomic": 0.023445821377707992,
"volume": 426.5152343738267,
"volume_molar": 25.685347776835744,
"formula_full": "K2 Li1 Nd1 I6",
"formula_reduced": "K2LiNdI6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-116587",
"created_at": "2022-09-04T14:38:43.748181Z",
"updated_at": "2022-09-04T14:38:43.748205Z",
"structure_string": "Tb2 Al20 Ru4\n1.0\n6.846541 0.013532 0.000000\n-0.804727 6.799097 0.000000\n0.000000 0.000000 9.159701\nTb Al Ru\n2 20 4\ndirect\n0.871927 0.128072 0.750000 Tb\n0.128072 0.871928 0.250000 Tb\n0.480845 0.217604 0.250000 Al\n0.519155 0.782396 0.750000 Al\n0.782396 0.519155 0.250000 Al\n0.217604 0.480845 0.750000 Al\n0.583781 0.853780 0.250000 Al\n0.416218 0.146221 0.750000 Al\n0.146220 0.416218 0.250000 Al\n0.853779 0.583782 0.750000 Al\n0.844775 0.155225 0.398959 Al\n0.155225 0.844775 0.601041 Al\n0.844775 0.155225 0.101041 Al\n0.224964 0.224964 -0.000000 Al\n0.775036 0.775036 -0.000000 Al\n0.775036 0.775036 0.500000 Al\n0.224964 0.224964 0.500000 Al\n0.624164 0.375836 0.954160 Al\n0.375836 0.624164 0.045840 Al\n0.375836 0.624164 0.454160 Al\n0.624164 0.375836 0.545840 Al\n0.155225 0.844775 0.898959 Al\n0.500000 -0.000000 -0.000000 Ru\n-0.000000 0.500000 0.500000 Ru\n-0.000000 0.500000 -0.000000 Ru\n0.500000 -0.000000 0.500000 Ru\n",
"nsites": 26,
"nelements": 3,
"elements": [
"Tb",
"Al",
"Ru"
],
"chemical_system": "Al-Ru-Tb",
"density": 4.912708874857911,
"density_atomic": 0.060963236762669785,
"volume": 426.48654140885174,
"volume_molar": 9.878315325421822,
"formula_full": "Tb2 Al20 Ru4",
"formula_reduced": "Tb(Al5Ru)2",
"formula_anonymous": "AB2C10",
"energy_above_hull": 2.541484415384616,
"spacegroup": 63
}
]
}