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=177",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_anonymous&page=175",
"results": [
{
"id": "jvasp-86822",
"created_at": "2022-09-04T14:35:45.950647Z",
"updated_at": "2022-09-04T14:35:45.950666Z",
"structure_string": "Ba6 Al6 Ga4\n1.0\n5.970415 -0.000000 0.000000\n-2.985207 5.170531 -0.000000\n0.000000 -0.000000 14.728134\nBa Al Ga\n6 6 4\ndirect\n0.333333 0.666667 0.877781 Ba\n0.666667 0.333333 0.377781 Ba\n0.666667 0.333333 0.122219 Ba\n0.000000 0.000000 0.000000 Ba\n0.333333 0.666667 0.622219 Ba\n0.000000 0.000000 0.500000 Ba\n0.841617 0.683234 0.750000 Al\n0.683234 0.841616 0.250000 Al\n0.841617 0.158383 0.750000 Al\n0.158383 0.841616 0.250000 Al\n0.316766 0.158383 0.750000 Al\n0.158383 0.316766 0.250000 Al\n0.666667 0.333333 0.888209 Ga\n0.333333 0.666667 0.111790 Ga\n0.333333 0.666667 0.388210 Ga\n0.666667 0.333333 0.611790 Ga\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Ba",
"Al",
"Ga"
],
"chemical_system": "Al-Ba-Ga",
"density": 4.619171303859234,
"density_atomic": 0.03519107955003961,
"volume": 454.6606755058184,
"volume_molar": 17.112691162079514,
"formula_full": "Ba6 Al6 Ga4",
"formula_reduced": "Ba3Al3Ga2",
"formula_anonymous": "A2B3C3",
"energy_above_hull": 0.5021053937500001,
"spacegroup": 194
},
{
"id": "jvasp-3294",
"created_at": "2022-09-04T14:36:06.111084Z",
"updated_at": "2022-09-04T14:36:06.111111Z",
"structure_string": "K3 Cu3 As2\n1.0\n5.352376 0.015647 5.389036\n2.231543 4.865017 5.389036\n0.024312 0.015647 7.595331\nK Cu As\n3 3 2\ndirect\n0.089122 0.089123 0.089122 K\n0.910877 0.910879 0.910878 K\n0.500000 0.500001 0.500000 K\n0.500000 0.500001 0.000000 Cu\n-0.000001 0.500001 0.500000 Cu\n0.500000 0.000001 0.500000 Cu\n0.749262 0.749264 0.749263 As\n0.250737 0.250738 0.250737 As\n",
"nsites": 8,
"nelements": 3,
"elements": [
"K",
"Cu",
"As"
],
"chemical_system": "As-Cu-K",
"density": 3.8662278975204667,
"density_atomic": 0.04068883214681273,
"volume": 196.61414638627474,
"volume_molar": 14.800475811817398,
"formula_full": "K3 Cu3 As2",
"formula_reduced": "K3Cu3As2",
"formula_anonymous": "A2B3C3",
"energy_above_hull": 0.11300331875,
"spacegroup": 166
},
{
"id": "jvasp-106088",
"created_at": "2022-09-04T14:36:00.888894Z",
"updated_at": "2022-09-04T14:36:00.888926Z",
"structure_string": "Dy2 In3 Sn3\n1.0\n4.688087 0.000000 0.000000\n-0.000000 4.782150 0.000000\n0.000000 0.000000 9.117197\nDy In Sn\n2 3 3\ndirect\n0.000000 0.000000 0.247383 Dy\n0.000000 0.000000 0.752617 Dy\n0.500000 0.500000 0.253179 In\n0.500000 0.500000 0.746821 In\n0.000000 0.500000 0.500000 In\n0.000000 0.500000 0.000000 Sn\n0.500000 -0.000000 0.500000 Sn\n0.500000 -0.000000 0.000000 Sn\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Dy",
"In",
"Sn"
],
"chemical_system": "Dy-In-Sn",
"density": 8.331824979343265,
"density_atomic": 0.039139005936620536,
"volume": 204.39967261699854,
"volume_molar": 15.386544997468537,
"formula_full": "Dy2 In3 Sn3",
"formula_reduced": "Dy2(InSn)3",
"formula_anonymous": "A2B3C3",
"energy_above_hull": 0.32403600125,
"spacegroup": 47
},
{
"id": "jvasp-109673",
"created_at": "2022-09-04T14:38:10.453878Z",
"updated_at": "2022-09-04T14:38:10.453896Z",
"structure_string": "U2 In3 Sn3\n1.0\n4.647482 0.000000 0.000000\n0.000000 4.757039 0.000000\n0.000000 0.000000 9.041713\nU In Sn\n2 3 3\ndirect\n0.000000 0.000000 0.245831 U\n0.000000 0.000000 0.754169 U\n0.500000 0.500000 0.253382 In\n0.500000 0.500000 0.746617 In\n-0.000000 0.500000 0.500000 In\n-0.000000 0.500000 -0.000000 Sn\n0.500000 0.000000 0.500000 Sn\n0.500000 0.000000 -0.000000 Sn\n",
"nsites": 8,
"nelements": 3,
"elements": [
"U",
"In",
"Sn"
],
"chemical_system": "In-Sn-U",
"density": 9.774357770023157,
"density_atomic": 0.040020714783039625,
"volume": 199.89647969481842,
"volume_molar": 15.04755922688348,
"formula_full": "U2 In3 Sn3",
"formula_reduced": "U2(InSn)3",
"formula_anonymous": "A2B3C3",
"energy_above_hull": 1.69144587625,
"spacegroup": 47
},
{
"id": "jvasp-18556",
"created_at": "2022-09-04T14:36:35.164343Z",
"updated_at": "2022-09-04T14:36:35.164362Z",
"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-101772",
"created_at": "2022-09-04T14:36:39.035695Z",
"updated_at": "2022-09-04T14:36:39.035735Z",
"structure_string": "V2 O3 F3\n1.0\n4.442049 0.030023 -2.557275\n2.881650 4.387610 -0.101208\n-0.052300 -0.059584 5.047733\nV O F\n2 3 3\ndirect\n0.977315 0.987671 0.020717 V\n-0.000661 0.462529 0.521381 V\n0.087929 0.264987 0.833097 O\n0.910535 0.251703 0.248027 O\n0.916037 0.752795 0.148557 O\n0.498764 0.252765 0.636922 F\n0.108519 0.756199 0.743415 F\n0.501563 0.771351 0.347888 F\n",
"nsites": 8,
"nelements": 3,
"elements": [
"V",
"O",
"F"
],
"chemical_system": "F-O-V",
"density": 3.5136484224000903,
"density_atomic": 0.08182541616637808,
"volume": 97.76913304948378,
"volume_molar": 7.359743515089493,
"formula_full": "V2 O3 F3",
"formula_reduced": "V2(OF)3",
"formula_anonymous": "A2B3C3",
"energy_above_hull": 1.9202049684375,
"spacegroup": 1
},
{
"id": "jvasp-86872",
"created_at": "2022-09-04T14:36:19.189599Z",
"updated_at": "2022-09-04T14:36:19.189624Z",
"structure_string": "Ce6 Sb6 Au4\n1.0\n4.634482 0.000000 0.000000\n-2.317241 4.013578 -0.000000\n-0.000000 -0.000000 23.718637\nCe Sb Au\n6 6 4\ndirect\n0.666667 0.333333 0.925672 Ce\n0.333333 0.666667 0.074328 Ce\n0.333333 0.666667 0.425672 Ce\n0.666667 0.333333 0.574328 Ce\n0.333333 0.666667 0.250000 Ce\n0.666667 0.333333 0.750000 Ce\n0.333333 0.666667 0.651523 Sb\n0.000000 0.000000 0.500000 Sb\n0.666667 0.333333 0.348477 Sb\n0.333333 0.666667 0.848477 Sb\n0.666667 0.333333 0.151523 Sb\n0.000000 0.000000 0.000000 Sb\n0.000000 0.000000 0.812439 Au\n0.000000 0.000000 0.187561 Au\n0.000000 0.000000 0.312439 Au\n0.000000 0.000000 0.687561 Au\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Ce",
"Sb",
"Au"
],
"chemical_system": "Au-Ce-Sb",
"density": 8.87926286461818,
"density_atomic": 0.03626580707798826,
"volume": 441.18692755389674,
"volume_molar": 16.605561120009305,
"formula_full": "Ce6 Sb6 Au4",
"formula_reduced": "Ce3Sb3Au2",
"formula_anonymous": "A2B3C3",
"energy_above_hull": 1.6698412424999998,
"spacegroup": 194
},
{
"id": "jvasp-100843",
"created_at": "2022-09-04T14:37:00.081793Z",
"updated_at": "2022-09-04T14:37:00.081819Z",
"structure_string": "La2 In3 Sn3\n1.0\n4.872715 0.000000 0.000000\n0.000000 4.806565 0.000000\n0.000000 0.000000 9.460766\nLa In Sn\n2 3 3\ndirect\n0.000000 0.000000 0.747086 La\n0.000000 0.000000 0.252914 La\n0.500000 0.500000 0.753270 In\n0.500000 0.500000 0.246730 In\n0.500000 -0.000000 -0.000000 In\n0.500000 -0.000000 0.500000 Sn\n-0.000000 0.500000 -0.000000 Sn\n-0.000000 0.500000 0.500000 Sn\n",
"nsites": 8,
"nelements": 3,
"elements": [
"La",
"In",
"Sn"
],
"chemical_system": "In-La-Sn",
"density": 7.332147011995966,
"density_atomic": 0.03610421075522914,
"volume": 221.58080270017598,
"volume_molar": 16.679884794678095,
"formula_full": "La2 In3 Sn3",
"formula_reduced": "La2(InSn)3",
"formula_anonymous": "A2B3C3",
"energy_above_hull": 0.44310812625,
"spacegroup": 47
},
{
"id": "jvasp-100425",
"created_at": "2022-09-04T14:36:35.162385Z",
"updated_at": "2022-09-04T14:36:35.162413Z",
"structure_string": "Ce2 In3 Sn3\n1.0\n4.709933 -0.000000 0.000000\n0.000000 4.796620 0.000000\n0.000000 0.000000 9.246403\nCe In Sn\n2 3 3\ndirect\n0.000000 0.000000 0.246209 Ce\n0.000000 0.000000 0.753791 Ce\n0.500000 0.500000 0.253563 In\n0.500000 0.500000 0.746436 In\n0.000000 0.500000 0.500000 In\n0.000000 0.500000 0.000000 Sn\n0.500000 0.000000 0.500000 Sn\n0.500000 0.000000 0.000000 Sn\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ce",
"In",
"Sn"
],
"chemical_system": "Ce-In-Sn",
"density": 7.7967530369895455,
"density_atomic": 0.038297209079733226,
"volume": 208.89250658825625,
"volume_molar": 15.724750979796333,
"formula_full": "Ce2 In3 Sn3",
"formula_reduced": "Ce2(InSn)3",
"formula_anonymous": "A2B3C3",
"energy_above_hull": 0.5400320012500001,
"spacegroup": 47
},
{
"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-102344",
"created_at": "2022-09-04T14:36:38.714881Z",
"updated_at": "2022-09-04T14:36:38.714891Z",
"structure_string": "Cr3 Ru3 C2\n1.0\n2.769662 -0.000000 0.000000\n-1.384831 2.398598 0.000000\n-0.000000 -0.000000 13.210642\nCr Ru C\n3 3 2\ndirect\n0.666666 0.333334 0.175269 Cr\n0.000000 0.000000 0.000000 Cr\n0.333334 0.666667 0.824731 Cr\n0.666666 0.333334 0.665055 Ru\n0.000000 0.000000 0.500000 Ru\n0.333334 0.666667 0.334945 Ru\n0.333334 0.666667 0.094774 C\n0.666666 0.333334 0.905226 C\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Cr",
"Ru",
"C"
],
"chemical_system": "C-Cr-Ru",
"density": 9.142933595132932,
"density_atomic": 0.09115527879058068,
"volume": 87.7623337467831,
"volume_molar": 6.606464090615327,
"formula_full": "Cr3 Ru3 C2",
"formula_reduced": "Cr3Ru3C2",
"formula_anonymous": "A2B3C3",
"energy_above_hull": 5.815320462500001,
"spacegroup": 164
},
{
"id": "jvasp-42497",
"created_at": "2022-09-04T14:36:56.202256Z",
"updated_at": "2022-09-04T14:36:56.202277Z",
"structure_string": "Ti6 N4 O6\n1.0\n3.803154 -0.000000 -0.000000\n-1.901576 4.932778 -0.025985\n-0.000000 -0.051878 9.957087\nTi N O\n6 4 6\ndirect\n0.190227 0.380454 0.248681 Ti\n0.143870 0.287741 0.945419 Ti\n0.134849 0.269698 0.554337 Ti\n0.799072 0.598144 0.747346 Ti\n0.856242 0.712486 0.049675 Ti\n0.864615 0.729235 0.442434 Ti\n0.305686 0.611375 0.077208 N\n0.045490 0.090981 0.381961 N\n0.694744 0.389492 0.575588 N\n0.692867 0.385736 0.921484 N\n0.315032 0.630066 0.424087 O\n0.248919 0.497839 0.752538 O\n0.045566 0.091131 0.117105 O\n0.752726 0.505456 0.257913 O\n0.954411 0.908825 0.882905 O\n0.955668 0.911341 0.621323 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Ti",
"N",
"O"
],
"chemical_system": "N-O-Ti",
"density": 3.904635359657862,
"density_atomic": 0.0856572483016326,
"volume": 186.7909641885501,
"volume_molar": 7.0305092439973,
"formula_full": "Ti6 N4 O6",
"formula_reduced": "Ti3N2O3",
"formula_anonymous": "A2B3C3",
"energy_above_hull": 3.91336275,
"spacegroup": 8
}
]
}