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=energy_above_hull&page=4615",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=energy_above_hull&page=4613",
"results": [
{
"id": "jvasp-35446",
"created_at": "2022-09-04T14:37:55.334387Z",
"updated_at": "2022-09-04T14:37:55.334408Z",
"structure_string": "Pu2 W2 C3\n1.0\n0.000000 3.289951 0.000000\n-0.193470 0.000000 5.684308\n5.575675 -1.644976 -2.174520\nPu W C\n2 2 3\ndirect\n0.394981 0.192523 0.789965 Pu\n0.605017 0.807477 0.210036 Pu\n0.155979 0.327438 0.311960 W\n0.844019 0.672562 0.688041 W\n0.251111 0.744684 0.502223 C\n0.748888 0.255317 0.497778 C\n0.000000 0.000000 0.000000 C\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Pu",
"W",
"C"
],
"chemical_system": "C-Pu-W",
"density": 14.391720130402566,
"density_atomic": 0.06803572038961064,
"volume": 102.88712987698344,
"volume_molar": 8.851439693022796,
"formula_full": "Pu2 W2 C3",
"formula_reduced": "Pu2W2C3",
"formula_anonymous": "A2B2C3",
"energy_above_hull": 8.068265714285715,
"spacegroup": 12
},
{
"id": "jvasp-94943",
"created_at": "2022-09-04T14:36:09.231764Z",
"updated_at": "2022-09-04T14:36:09.231792Z",
"structure_string": "Pu2 W2 C3\n1.0\n0.000000 3.278175 -0.000000\n0.226670 -0.000000 5.674024\n5.497563 -1.639088 -1.759898\nPu W C\n2 2 3\ndirect\n0.609456 0.833832 0.218913 Pu\n0.390542 0.166166 0.781086 Pu\n0.848050 0.622567 0.696103 W\n0.151947 0.377432 0.303896 W\n0.000000 0.500000 0.000000 C\n0.262854 0.747262 0.525709 C\n0.737144 0.252737 0.474290 C\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Pu",
"W",
"C"
],
"chemical_system": "C-Pu-W",
"density": 14.297544983512834,
"density_atomic": 0.06759051481978408,
"volume": 103.5648273824224,
"volume_molar": 8.909742404029286,
"formula_full": "Pu2 W2 C3",
"formula_reduced": "Pu2W2C3",
"formula_anonymous": "A2B2C3",
"energy_above_hull": 8.098455714285716,
"spacegroup": 12
},
{
"id": "jvasp-20312",
"created_at": "2022-09-04T14:38:35.647843Z",
"updated_at": "2022-09-04T14:38:35.647863Z",
"structure_string": "Ti5 Re24\n1.0\n7.894239 0.000000 -2.791036\n-3.947119 6.836612 -2.791036\n-0.000000 -0.000000 8.373105\nTi Re\n5 24\ndirect\n0.000000 0.000000 0.000000 Ti\n0.633943 0.633943 0.633942 Ti\n0.366057 -0.000000 -0.000000 Ti\n-0.000000 0.366056 -0.000000 Ti\n0.000000 0.000000 0.366056 Ti\n0.182921 0.375736 0.375735 Re\n-0.000000 0.624264 0.807184 Re\n0.624264 0.000000 0.807184 Re\n0.807185 -0.000000 0.624263 Re\n0.192815 0.817079 0.192814 Re\n0.817079 0.192815 0.192814 Re\n-0.000000 0.807185 0.624263 Re\n0.807185 0.624264 -0.000001 Re\n0.624264 0.807185 -0.000001 Re\n0.375736 0.375736 0.182920 Re\n0.683187 0.683187 0.281996 Re\n0.718002 0.401190 0.401190 Re\n0.375736 0.182921 0.375736 Re\n-0.000000 0.598809 0.316812 Re\n0.598810 -0.000000 0.316812 Re\n0.316813 0.000000 0.598809 Re\n0.683187 0.281997 0.683186 Re\n0.281996 0.683187 0.683186 Re\n-0.000000 0.316813 0.598809 Re\n0.316813 0.598809 -0.000001 Re\n0.598810 0.316813 -0.000001 Re\n0.401190 0.401190 0.718002 Re\n0.401190 0.718002 0.401190 Re\n0.192815 0.192815 0.817078 Re\n",
"nsites": 29,
"nelements": 2,
"elements": [
"Ti",
"Re"
],
"chemical_system": "Re-Ti",
"density": 17.30118142678684,
"density_atomic": 0.0641741694867557,
"volume": 451.8952131664912,
"volume_molar": 9.384057180892468,
"formula_full": "Ti5 Re24",
"formula_reduced": "Ti5Re24",
"formula_anonymous": "A5B24",
"energy_above_hull": 8.22303840229885,
"spacegroup": 217
},
{
"id": "jvasp-97326",
"created_at": "2022-09-04T14:36:00.679864Z",
"updated_at": "2022-09-04T14:36:00.679891Z",
"structure_string": "Zr5 Re24\n1.0\n8.005029 0.000000 -2.830205\n-4.002515 6.932559 -2.830205\n-0.000000 -0.000000 8.490616\nZr Re\n5 24\ndirect\n0.000000 0.000000 0.000000 Zr\n0.629113 0.629113 0.629113 Zr\n0.370887 -0.000000 -0.000000 Zr\n0.000000 0.370887 -0.000000 Zr\n0.000000 0.000000 0.370887 Zr\n0.182866 0.376829 0.376829 Re\n0.000000 0.623171 0.806037 Re\n0.623171 -0.000000 0.806037 Re\n0.806037 -0.000000 0.623171 Re\n0.193964 0.817134 0.193963 Re\n0.817134 0.193963 0.193963 Re\n0.000001 0.806037 0.623171 Re\n0.806037 0.623171 -0.000001 Re\n0.623172 0.806037 -0.000001 Re\n0.376829 0.376829 0.182866 Re\n0.677629 0.677628 0.280990 Re\n0.719010 0.396638 0.396638 Re\n0.376829 0.182866 0.376829 Re\n0.000000 0.603362 0.322372 Re\n0.603362 -0.000000 0.322372 Re\n0.322372 -0.000000 0.603362 Re\n0.677629 0.280990 0.677628 Re\n0.280991 0.677628 0.677628 Re\n0.000000 0.322372 0.603362 Re\n0.322372 0.603362 -0.000000 Re\n0.603362 0.322372 -0.000000 Re\n0.396638 0.396638 0.719010 Re\n0.396639 0.719010 0.396638 Re\n0.193963 0.193963 0.817134 Re\n",
"nsites": 29,
"nelements": 2,
"elements": [
"Zr",
"Re"
],
"chemical_system": "Re-Zr",
"density": 17.356710051459647,
"density_atomic": 0.06154635169562513,
"volume": 471.1895864017784,
"volume_molar": 9.784724186061005,
"formula_full": "Zr5 Re24",
"formula_reduced": "Zr5Re24",
"formula_anonymous": "A5B24",
"energy_above_hull": 8.329324982758619,
"spacegroup": 217
},
{
"id": "jvasp-122958",
"created_at": "2022-09-04T14:38:55.302985Z",
"updated_at": "2022-09-04T14:38:55.303004Z",
"structure_string": "V1 Ni1\n1.0\n2.899160 -0.000000 0.000000\n0.000000 2.899160 0.000000\n0.000000 0.000000 2.899160\nV Ni\n1 1\ndirect\n0.500000 0.500000 0.500000 V\n0.000000 0.000000 0.000000 Ni\n",
"nsites": 2,
"nelements": 2,
"elements": [
"V",
"Ni"
],
"chemical_system": "Ni-V",
"density": 7.471045307801649,
"density_atomic": 0.08207548232080702,
"volume": 24.3678129381273,
"volume_molar": 7.337319976337589,
"formula_full": "V1 Ni1",
"formula_reduced": "VNi",
"formula_anonymous": "AB",
"energy_above_hull": null,
"spacegroup": 221
},
{
"id": "jvasp-105719",
"created_at": "2022-09-04T14:35:59.976858Z",
"updated_at": "2022-09-04T14:35:59.976885Z",
"structure_string": "Ba2 Tl1 Hg1\n1.0\n5.153573 0.000000 2.975417\n1.717857 4.858836 2.975417\n0.000000 0.000000 5.950834\nBa Tl Hg\n2 1 1\ndirect\n0.750000 0.750001 0.750000 Ba\n0.250000 0.250000 0.250000 Ba\n0.000000 0.000000 0.000000 Tl\n0.500000 0.500000 0.500000 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Tl",
"Hg"
],
"chemical_system": "Ba-Hg-Tl",
"density": 7.57358327019736,
"density_atomic": 0.02684364476028033,
"volume": 149.01106149037815,
"volume_molar": 22.43413967730182,
"formula_full": "Ba2 Tl1 Hg1",
"formula_reduced": "Ba2TlHg",
"formula_anonymous": "ABC2",
"energy_above_hull": null,
"spacegroup": 225
},
{
"id": "jvasp-122939",
"created_at": "2022-09-04T14:38:53.441742Z",
"updated_at": "2022-09-04T14:38:53.441771Z",
"structure_string": "Dy1 V1\n1.0\n3.455115 0.000000 0.000000\n0.000000 3.455115 0.000000\n-0.000000 -0.000000 3.455115\nDy V\n1 1\ndirect\n0.000000 0.000000 0.000000 Dy\n0.500001 0.500001 0.500001 V\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Dy",
"V"
],
"chemical_system": "Dy-V",
"density": 8.592913515294468,
"density_atomic": 0.04848891592824507,
"volume": 41.24653978570365,
"volume_molar": 12.419623422622383,
"formula_full": "Dy1 V1",
"formula_reduced": "DyV",
"formula_anonymous": "AB",
"energy_above_hull": null,
"spacegroup": 221
},
{
"id": "jvasp-122951",
"created_at": "2022-09-04T14:38:54.378787Z",
"updated_at": "2022-09-04T14:38:54.378806Z",
"structure_string": "Nd1 V1\n1.0\n3.544401 0.000000 0.000000\n0.000000 3.544401 0.000000\n-0.000000 0.000000 3.544401\nNd V\n1 1\ndirect\n0.000000 0.000000 0.000000 Nd\n0.500000 0.500000 0.500000 V\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Nd",
"V"
],
"chemical_system": "Nd-V",
"density": 7.278864715007407,
"density_atomic": 0.04491603839660638,
"volume": 44.52752449670872,
"volume_molar": 13.407551010676404,
"formula_full": "Nd1 V1",
"formula_reduced": "NdV",
"formula_anonymous": "AB",
"energy_above_hull": null,
"spacegroup": 221
},
{
"id": "jvasp-123688",
"created_at": "2022-09-04T14:38:52.745697Z",
"updated_at": "2022-09-04T14:38:52.745721Z",
"structure_string": "Se2 O1\n1.0\n1.838572 -3.402694 0.029554\n2.027535 3.511792 0.000000\n0.034759 -0.020068 4.408377\nSe O\n2 1\ndirect\n0.746207 0.783059 0.473363 Se\n0.253792 0.036852 0.859971 Se\n-0.000000 0.180087 0.166667 O\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Se",
"O"
],
"chemical_system": "O-Se",
"density": 4.905521187703391,
"density_atomic": 0.05095763745227018,
"volume": 58.87243110142166,
"volume_molar": 11.817935565872103,
"formula_full": "Se2 O1",
"formula_reduced": "Se2O",
"formula_anonymous": "AB2",
"energy_above_hull": null,
"spacegroup": 5
},
{
"id": "jvasp-123692",
"created_at": "2022-09-04T14:38:52.871000Z",
"updated_at": "2022-09-04T14:38:52.871016Z",
"structure_string": "Pb1 Se2\n1.0\n2.397684 -3.996667 -0.897470\n2.262376 3.918547 -0.000001\n-1.161625 0.670664 5.756253\nPb Se\n1 2\ndirect\n0.000000 0.333365 0.166667 Pb\n0.811598 0.739117 0.444196 Se\n0.188403 -0.072481 0.889137 Se\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Pb",
"Se"
],
"chemical_system": "Pb-Se",
"density": 6.021804947402711,
"density_atomic": 0.029796360403474727,
"volume": 100.68343782182714,
"volume_molar": 20.210994492125028,
"formula_full": "Pb1 Se2",
"formula_reduced": "PbSe2",
"formula_anonymous": "AB2",
"energy_above_hull": null,
"spacegroup": 12
},
{
"id": "jvasp-30609",
"created_at": "2022-09-04T14:37:13.577433Z",
"updated_at": "2022-09-04T14:37:13.577460Z",
"structure_string": "Mg2 Sn2 F8\n1.0\n4.430175 -0.047247 -2.198891\n-0.949873 5.019634 -2.124156\n0.390606 0.632741 7.097970\nMg Sn F\n2 2 8\ndirect\n0.250153 0.173747 0.496198 Mg\n0.751265 0.648555 0.503695 Mg\n0.071708 0.580606 0.081128 Sn\n0.461896 0.005017 0.941763 Sn\n0.768043 0.513525 0.211434 F\n0.593783 0.236893 0.793199 F\n0.050900 0.441230 0.619172 F\n0.081844 0.931133 0.603705 F\n0.449062 0.869437 0.386350 F\n0.392798 0.383456 0.366190 F\n0.934108 0.985365 0.193703 F\n0.691769 0.743923 0.781117 F\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Mg",
"Sn",
"F"
],
"chemical_system": "F-Mg-Sn",
"density": 4.29995814246623,
"density_atomic": 0.07094228726603354,
"volume": 169.15158028384405,
"volume_molar": 8.488788552047914,
"formula_full": "Mg2 Sn2 F8",
"formula_reduced": "MgSnF4",
"formula_anonymous": "ABC4",
"energy_above_hull": null,
"spacegroup": 1
},
{
"id": "jvasp-122091",
"created_at": "2022-09-04T14:38:55.436474Z",
"updated_at": "2022-09-04T14:38:55.436500Z",
"structure_string": "Tm10 Ga6\n1.0\n8.394770 0.019037 0.102166\n-4.182404 7.278737 0.102166\n-0.015601 -0.027028 6.373276\nTm Ga\n10 6\ndirect\n0.854869 0.145131 0.500001 Tm\n0.145132 0.854869 0.500001 Tm\n0.814523 0.185478 0.000001 Tm\n0.185478 0.814523 0.000001 Tm\n0.506103 0.745827 0.264487 Tm\n0.493897 0.254174 0.735515 Tm\n0.254174 0.493897 0.735515 Tm\n0.745827 0.506103 0.264487 Tm\n0.268605 0.268605 0.227198 Tm\n0.731396 0.731396 0.772804 Tm\n0.908460 0.908459 0.190631 Ga\n0.091541 0.091541 0.809371 Ga\n0.501792 0.098781 0.285421 Ga\n0.498209 0.901220 0.714581 Ga\n0.901220 0.498208 0.714581 Ga\n0.098781 0.501792 0.285421 Ga\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Tm",
"Ga"
],
"chemical_system": "Ga-Tm",
"density": 8.974476703548225,
"density_atomic": 0.04102752555269479,
"volume": 389.9820860375792,
"volume_molar": 14.67829384997958,
"formula_full": "Tm10 Ga6",
"formula_reduced": "Tm5Ga3",
"formula_anonymous": "A3B5",
"energy_above_hull": null,
"spacegroup": 12
}
]
}