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=-formula_anonymous&page=4466",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_anonymous&page=4464",
"results": [
{
"id": "jvasp-24685",
"created_at": "2022-09-04T14:37:08.373884Z",
"updated_at": "2022-09-04T14:37:08.373903Z",
"structure_string": "Ca6 C6 Cl4\n1.0\n3.830388 -0.000000 -0.000000\n-1.915194 6.688267 0.000000\n0.000000 0.000000 11.515493\nCa C Cl\n6 6 4\ndirect\n0.344094 0.688187 0.560586 Ca\n0.655908 0.311814 0.439414 Ca\n0.655908 0.311814 0.060586 Ca\n0.344094 0.688187 0.939414 Ca\n0.878902 0.757801 0.250000 Ca\n0.121100 0.242199 0.750000 Ca\n0.733109 0.466217 0.635279 C\n0.266893 0.533784 0.364721 C\n0.266893 0.533784 0.135279 C\n0.733109 0.466217 0.864721 C\n0.256521 0.513042 0.250000 C\n0.743480 0.486958 0.750000 C\n0.470529 0.941055 0.750000 Cl\n0.529473 0.058945 0.250000 Cl\n0.000000 0.000000 0.000000 Cl\n0.000000 0.000000 0.500000 Cl\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Ca",
"C",
"Cl"
],
"chemical_system": "C-Ca-Cl",
"density": 2.557379502233101,
"density_atomic": 0.05423517886046285,
"volume": 295.0114729254431,
"volume_molar": 11.10375384857467,
"formula_full": "Ca6 C6 Cl4",
"formula_reduced": "Ca3C3Cl2",
"formula_anonymous": "A2B3C3",
"energy_above_hull": 2.324932424375,
"spacegroup": 63
},
{
"id": "jvasp-2937",
"created_at": "2022-09-04T14:37:15.360702Z",
"updated_at": "2022-09-04T14:37:15.360731Z",
"structure_string": "K3 Sb2 Au3\n1.0\n5.735843 -0.013739 5.609809\n2.351488 5.231690 5.609809\n-0.021295 -0.013739 8.023054\nK Sb Au\n3 2 3\ndirect\n0.500000 0.500000 0.500000 K\n0.920973 0.920972 0.920972 K\n0.079028 0.079028 0.079028 K\n0.239186 0.239186 0.239186 Sb\n0.760815 0.760814 0.760814 Sb\n0.500000 -0.000000 0.500000 Au\n0.000001 0.500000 0.499999 Au\n0.500000 0.500000 0.000000 Au\n",
"nsites": 8,
"nelements": 3,
"elements": [
"K",
"Sb",
"Au"
],
"chemical_system": "Au-K-Sb",
"density": 6.53301009004654,
"density_atomic": 0.033071011896200965,
"volume": 241.9036957535309,
"volume_molar": 18.209726327399718,
"formula_full": "K3 Sb2 Au3",
"formula_reduced": "K3Sb2Au3",
"formula_anonymous": "A2B3C3",
"energy_above_hull": 0.264356175625,
"spacegroup": 166
},
{
"id": "jvasp-50017",
"created_at": "2022-09-04T14:37:08.177967Z",
"updated_at": "2022-09-04T14:37:08.177987Z",
"structure_string": "Ti6 N4 O6\n1.0\n-0.000000 3.766254 0.000000\n-4.959501 1.883127 0.000000\n0.000000 -0.000000 10.026242\nTi N O\n6 4 6\ndirect\n0.133466 0.733068 0.941409 Ti\n0.134918 0.730165 0.550857 Ti\n0.195371 0.609260 0.245988 Ti\n0.804629 0.390740 0.745988 Ti\n0.865082 0.269835 0.050857 Ti\n0.866534 0.266931 0.441409 Ti\n0.046724 0.906554 0.382246 N\n0.696652 0.606693 0.576407 N\n0.303348 0.393307 0.076407 N\n0.953276 0.093445 0.882246 N\n0.045163 0.909676 0.119684 O\n0.685320 0.629360 0.922727 O\n0.754443 0.491114 0.260681 O\n0.245557 0.508886 0.760681 O\n0.314680 0.370640 0.422727 O\n0.954836 0.090324 0.619684 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Ti",
"N",
"O"
],
"chemical_system": "N-O-Ti",
"density": 3.894489845618489,
"density_atomic": 0.08543468287998093,
"volume": 187.27757230019662,
"volume_molar": 7.048824384892882,
"formula_full": "Ti6 N4 O6",
"formula_reduced": "Ti3N2O3",
"formula_anonymous": "A2B3C3",
"energy_above_hull": 3.9159865,
"spacegroup": 36
},
{
"id": "jvasp-50047",
"created_at": "2022-09-04T14:37:40.408446Z",
"updated_at": "2022-09-04T14:37:40.408473Z",
"structure_string": "Zr6 N4 O6\n1.0\n-4.029733 -0.005980 0.000291\n2.006661 5.373372 0.004674\n-0.000425 -0.102212 -10.754028\nZr N O\n6 4 6\ndirect\n0.179729 0.362464 0.248034 Zr\n0.140457 0.283945 0.939376 Zr\n0.134639 0.272201 0.555863 Zr\n0.805734 0.614485 0.748727 Zr\n0.853441 0.709952 0.056093 Zr\n0.861099 0.725193 0.439217 Zr\n0.294537 0.592115 0.078129 N\n0.043797 0.090333 0.384618 N\n0.702734 0.408422 0.574206 N\n0.698851 0.400740 0.919055 N\n0.305991 0.614972 0.419208 O\n0.243975 0.490953 0.750793 O\n0.041563 0.086250 0.112070 O\n0.751156 0.505326 0.255978 O\n0.952458 0.907999 0.884231 O\n0.954976 0.913031 0.619214 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Zr",
"N",
"O"
],
"chemical_system": "N-O-Zr",
"density": 4.99004500298405,
"density_atomic": 0.06874958600766971,
"volume": 232.7286741510711,
"volume_molar": 8.759530216412022,
"formula_full": "Zr6 N4 O6",
"formula_reduced": "Zr3N2O3",
"formula_anonymous": "A2B3C3",
"energy_above_hull": 4.085648812500001,
"spacegroup": 8
},
{
"id": "jvasp-5740",
"created_at": "2022-09-04T14:37:52.058716Z",
"updated_at": "2022-09-04T14:37:52.058747Z",
"structure_string": "Na3 Li3 N2\n1.0\n0.000000 3.814957 -0.005262\n4.234847 0.000000 0.000000\n0.000000 -0.054895 -7.236994\nNa Li N\n3 3 2\ndirect\n0.334645 0.500000 0.477954 Na\n0.653736 0.000000 0.636130 Na\n0.592018 0.500000 0.142431 Na\n0.988082 0.000000 0.276280 Li\n0.452060 0.000000 0.974645 Li\n0.019776 0.500000 0.830733 Li\n0.484348 0.000000 0.285346 N\n0.517343 0.500000 0.815478 N\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Na",
"Li",
"N"
],
"chemical_system": "Li-N-Na",
"density": 1.6731131114650735,
"density_atomic": 0.06842264506783134,
"volume": 116.92035571073195,
"volume_molar": 8.801385497491221,
"formula_full": "Na3 Li3 N2",
"formula_reduced": "Na3Li3N2",
"formula_anonymous": "A2B3C3",
"energy_above_hull": 1.4748066875,
"spacegroup": 6
},
{
"id": "jvasp-108732",
"created_at": "2022-09-04T14:38:08.465700Z",
"updated_at": "2022-09-04T14:38:08.465726Z",
"structure_string": "Ta2 Pd3 Ru3\n1.0\n3.921784 0.000000 0.000000\n0.000000 4.018712 0.000000\n-0.000000 -0.000000 7.654007\nTa Pd Ru\n2 3 3\ndirect\n0.000000 0.000000 0.243794 Ta\n0.000000 0.000000 0.756207 Ta\n0.500000 0.500000 0.249411 Pd\n0.500000 0.500000 0.750589 Pd\n-0.000000 0.500000 0.500000 Pd\n-0.000000 0.500000 -0.000000 Ru\n0.500000 0.000000 0.500000 Ru\n0.500000 0.000000 -0.000000 Ru\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ta",
"Pd",
"Ru"
],
"chemical_system": "Pd-Ru-Ta",
"density": 13.550215031935341,
"density_atomic": 0.06631787133984196,
"volume": 120.63113363522298,
"volume_molar": 9.080720834871041,
"formula_full": "Ta2 Pd3 Ru3",
"formula_reduced": "Ta2(PdRu)3",
"formula_anonymous": "A2B3C3",
"energy_above_hull": 4.608349625,
"spacegroup": 47
},
{
"id": "jvasp-12902",
"created_at": "2022-09-04T14:38:05.900997Z",
"updated_at": "2022-09-04T14:38:05.901020Z",
"structure_string": "K6 Al4 As6\n1.0\n0.000000 7.516089 0.033790\n6.013708 0.000000 0.000000\n0.000000 -3.619703 -9.882201\nK Al As\n6 4 6\ndirect\n0.442198 0.250000 0.577801 K\n0.137190 0.750000 0.073603 K\n0.476099 0.750000 0.851910 K\n0.523901 0.250000 0.148090 K\n0.557802 0.750000 0.422199 K\n0.862810 0.250000 0.926397 K\n0.026425 -0.000093 0.658924 Al\n0.973576 0.499907 0.341076 Al\n0.026425 0.500093 0.658924 Al\n0.973576 0.000093 0.341076 Al\n0.808533 0.250000 0.468590 As\n0.191468 0.750000 0.531410 As\n0.256873 0.250000 0.822792 As\n0.743128 0.750000 0.177208 As\n0.161146 0.250000 0.251837 As\n0.838855 0.750000 0.748163 As\n",
"nsites": 16,
"nelements": 3,
"elements": [
"K",
"Al",
"As"
],
"chemical_system": "Al-As-K",
"density": 2.949355125884121,
"density_atomic": 0.03587961652310673,
"volume": 445.93564676745876,
"volume_molar": 16.784295217095476,
"formula_full": "K6 Al4 As6",
"formula_reduced": "K3Al2As3",
"formula_anonymous": "A2B3C3",
"energy_above_hull": 1.01709685625,
"spacegroup": 11
},
{
"id": "jvasp-8685",
"created_at": "2022-09-04T14:36:30.715595Z",
"updated_at": "2022-09-04T14:36:30.715632Z",
"structure_string": "U3 Si2 C3\n1.0\n3.627920 0.000000 -0.664412\n-0.123862 3.624003 -0.676326\n-0.071772 -0.042340 9.845145\nU Si C\n3 2 3\ndirect\n0.683675 0.683674 0.367348 U\n0.316326 0.316325 0.632651 U\n0.500000 0.500000 -0.000000 U\n0.096618 0.096617 0.193234 Si\n0.903383 0.903382 0.806765 Si\n0.749988 0.249987 0.499975 C\n0.250013 0.750012 0.500024 C\n0.000000 0.000000 0.000000 C\n",
"nsites": 8,
"nelements": 3,
"elements": [
"U",
"Si",
"C"
],
"chemical_system": "C-Si-U",
"density": 10.366043081971833,
"density_atomic": 0.06193879001096328,
"volume": 129.15977206826264,
"volume_molar": 9.722729099057425,
"formula_full": "U3 Si2 C3",
"formula_reduced": "U3Si2C3",
"formula_anonymous": "A2B3C3",
"energy_above_hull": 6.1471519,
"spacegroup": 139
},
{
"id": "jvasp-3297",
"created_at": "2022-09-04T14:36:10.903487Z",
"updated_at": "2022-09-04T14:36:10.903512Z",
"structure_string": "K3 Ag3 As2\n1.0\n5.531833 -0.005400 5.620430\n2.298446 5.031734 5.620430\n-0.008413 -0.005400 7.886085\nK Ag As\n3 3 2\ndirect\n0.089941 0.089941 0.089941 K\n0.910060 0.910058 0.910058 K\n0.500001 0.500000 0.500000 K\n0.500000 0.000000 0.500000 Ag\n0.500000 0.500000 0.000000 Ag\n0.000001 0.500000 0.499999 Ag\n0.756634 0.756632 0.756632 As\n0.243367 0.243367 0.243367 As\n",
"nsites": 8,
"nelements": 3,
"elements": [
"K",
"Ag",
"As"
],
"chemical_system": "Ag-As-K",
"density": 4.460063793163924,
"density_atomic": 0.03637337469635375,
"volume": 219.94109886102925,
"volume_molar": 16.556453203127422,
"formula_full": "K3 Ag3 As2",
"formula_reduced": "K3Ag3As2",
"formula_anonymous": "A2B3C3",
"energy_above_hull": 0.153582720625,
"spacegroup": 166
},
{
"id": "jvasp-97393",
"created_at": "2022-09-04T14:35:59.819125Z",
"updated_at": "2022-09-04T14:35:59.819153Z",
"structure_string": "Sn12 Te12 Ir8\n1.0\n9.491172 0.002070 0.007535\n0.007531 9.491169 0.007535\n0.002071 0.002070 9.491175\nSn Te Ir\n12 12 8\ndirect\n0.824097 0.340210 0.499673 Sn\n0.002060 0.676137 0.840676 Sn\n0.323862 0.159324 0.997940 Sn\n0.159324 0.997939 0.323862 Sn\n0.840676 0.002061 0.676138 Sn\n0.676137 0.840676 0.002060 Sn\n0.997939 0.323863 0.159324 Sn\n0.340210 0.499673 0.824097 Sn\n0.500327 0.175903 0.659790 Sn\n0.659789 0.500327 0.175903 Sn\n0.175903 0.659790 0.500327 Sn\n0.499673 0.824097 0.340210 Sn\n0.349971 0.497432 0.154016 Te\n0.000143 0.654226 0.150438 Te\n0.345773 0.849562 0.999857 Te\n0.849561 0.999857 0.345774 Te\n0.999857 0.345774 0.849562 Te\n0.497431 0.154016 0.349971 Te\n0.650029 0.502568 0.845984 Te\n0.154016 0.349971 0.497432 Te\n0.502568 0.845984 0.650029 Te\n0.654226 0.150438 0.000143 Te\n0.150438 0.000143 0.654227 Te\n0.845983 0.650029 0.502569 Te\n0.750125 0.750126 0.750126 Ir\n0.249032 0.248621 0.747592 Ir\n0.248621 0.747591 0.249032 Ir\n0.747591 0.249032 0.248622 Ir\n0.750968 0.751379 0.252409 Ir\n0.751378 0.252409 0.750969 Ir\n0.252409 0.750968 0.751379 Ir\n0.249874 0.249874 0.249875 Ir\n",
"nsites": 32,
"nelements": 3,
"elements": [
"Sn",
"Te",
"Ir"
],
"chemical_system": "Ir-Sn-Te",
"density": 8.727106684075256,
"density_atomic": 0.03742748736630352,
"volume": 854.9865954616564,
"volume_molar": 16.090155080572725,
"formula_full": "Sn12 Te12 Ir8",
"formula_reduced": "Sn3Te3Ir2",
"formula_anonymous": "A2B3C3",
"energy_above_hull": 1.878323825,
"spacegroup": 148
},
{
"id": "jvasp-85900",
"created_at": "2022-09-04T14:35:53.127341Z",
"updated_at": "2022-09-04T14:35:53.127372Z",
"structure_string": "Th3 B2 C3\n1.0\n3.701628 0.000000 -0.644854\n0.000000 3.797612 0.000000\n0.025174 0.000000 9.251546\nTh B C\n3 2 3\ndirect\n0.000000 0.000000 0.000000 Th\n0.380649 0.500000 0.698775 Th\n0.619350 0.500000 0.301225 Th\n0.862948 0.000000 0.560568 B\n0.137051 0.000000 0.439432 B\n0.500000 0.500000 0.000000 C\n0.884220 0.000000 0.723581 C\n0.115779 0.000000 0.276420 C\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Th",
"B",
"C"
],
"chemical_system": "B-C-Th",
"density": 9.619742779408789,
"density_atomic": 0.061484619769474225,
"volume": 130.1138403391709,
"volume_molar": 9.794548266833166,
"formula_full": "Th3 B2 C3",
"formula_reduced": "Th3B2C3",
"formula_anonymous": "A2B3C3",
"energy_above_hull": 5.346940245833333,
"spacegroup": 10
},
{
"id": "jvasp-112570",
"created_at": "2022-09-04T14:38:42.271592Z",
"updated_at": "2022-09-04T14:38:42.271619Z",
"structure_string": "Tm6 Fe4 Ge6\n1.0\n5.627823 0.003729 0.000000\n-4.128242 3.824921 0.000000\n-0.000000 0.000000 13.613871\nTm Fe Ge\n6 4 6\ndirect\n0.641193 0.358807 0.250000 Tm\n0.358807 0.641193 0.750000 Tm\n0.919434 0.080566 0.111215 Tm\n0.080566 0.919434 0.888785 Tm\n0.080566 0.919434 0.611215 Tm\n0.919434 0.080566 0.388785 Tm\n0.785004 0.214996 0.583828 Fe\n0.214996 0.785003 0.416172 Fe\n0.214996 0.785003 0.083828 Fe\n0.785004 0.214996 0.916172 Fe\n0.333942 0.666058 0.250000 Ge\n0.666058 0.333942 0.750000 Ge\n0.622187 0.377813 0.041618 Ge\n0.377813 0.622187 0.958382 Ge\n0.377813 0.622187 0.541618 Ge\n0.622187 0.377813 0.458382 Ge\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Tm",
"Fe",
"Ge"
],
"chemical_system": "Fe-Ge-Tm",
"density": 9.472065042664232,
"density_atomic": 0.054558821278929706,
"volume": 293.2614676222689,
"volume_molar": 11.037886484409288,
"formula_full": "Tm6 Fe4 Ge6",
"formula_reduced": "Tm3Fe2Ge3",
"formula_anonymous": "A2B3C3",
"energy_above_hull": 1.8560152,
"spacegroup": 63
}
]
}