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=4099",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-created_at&page=4097",
"results": [
{
"id": "jvasp-68654",
"created_at": "2022-09-04T14:35:58.791610Z",
"updated_at": "2022-09-04T14:35:58.791625Z",
"structure_string": "Be2 P1 Br1\n1.0\n3.274887 0.000000 0.000000\n0.000000 3.274887 0.000000\n0.000000 0.000000 5.988817\nBe P Br\n2 1 1\ndirect\n0.000000 0.000000 0.876426 Be\n0.500000 0.500000 0.270036 Be\n0.500000 0.500000 0.924437 P\n0.000000 0.000000 0.429104 Br\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"P",
"Br"
],
"chemical_system": "Be-Br-P",
"density": 3.3325409652265536,
"density_atomic": 0.062276803062180676,
"volume": 64.22937278919366,
"volume_molar": 9.669958096575952,
"formula_full": "Be2 P1 Br1",
"formula_reduced": "Be2PBr",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.6329979512499997,
"spacegroup": 99
},
{
"id": "jvasp-71406",
"created_at": "2022-09-04T14:35:58.786171Z",
"updated_at": "2022-09-04T14:35:58.786185Z",
"structure_string": "Be1 Fe1 Bi1\n1.0\n1.608560 -2.786106 0.000000\n1.608560 2.786106 -0.000000\n0.000000 -0.000000 5.953010\nBe Fe Bi\n1 1 1\ndirect\n0.000000 0.000000 0.933814 Be\n0.333333 0.666667 0.710525 Fe\n0.666667 0.333333 0.355661 Bi\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Be",
"Fe",
"Bi"
],
"chemical_system": "Be-Bi-Fe",
"density": 8.521982549479572,
"density_atomic": 0.05622374194601778,
"volume": 53.35824148596151,
"volume_molar": 10.711028031151056,
"formula_full": "Be1 Fe1 Bi1",
"formula_reduced": "BeFeBi",
"formula_anonymous": "ABC",
"energy_above_hull": 2.070231966666667,
"spacegroup": 156
},
{
"id": "jvasp-42557",
"created_at": "2022-09-04T14:35:58.782076Z",
"updated_at": "2022-09-04T14:35:58.782095Z",
"structure_string": "Mn6 O8 F4\n1.0\n5.416772 -0.023044 -0.017419\n1.748756 5.129086 -0.025387\n2.280101 1.594918 6.665377\nMn O F\n6 8 4\ndirect\n0.306731 0.317773 0.161076 Mn\n0.658239 0.668097 0.327894 Mn\n0.344555 0.357844 0.689431 Mn\n0.671517 0.687843 0.827220 Mn\n0.998387 0.010624 0.503881 Mn\n0.021082 0.963862 0.998810 Mn\n0.314063 0.672009 -0.003398 O\n0.964187 0.362757 0.330394 O\n0.641237 0.046675 0.671316 O\n0.575114 0.579731 0.621946 O\n0.773618 0.761075 0.037767 O\n0.033759 0.654800 0.670338 O\n0.350594 0.969882 0.330204 O\n0.222510 0.210182 0.973114 O\n0.886516 0.904693 0.315598 F\n0.111685 0.127339 0.684767 F\n0.423607 0.422732 0.360707 F\n0.702593 0.282102 -0.001066 F\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Mn",
"O",
"F"
],
"chemical_system": "F-Mn-O",
"density": 4.768315289036447,
"density_atomic": 0.09686316317347446,
"volume": 185.82915744516197,
"volume_molar": 6.217163019149819,
"formula_full": "Mn6 O8 F4",
"formula_reduced": "Mn3(O2F)2",
"formula_anonymous": "A2B3C4",
"energy_above_hull": 2.6777406987931034,
"spacegroup": 1
},
{
"id": "jvasp-64205",
"created_at": "2022-09-04T14:35:58.778345Z",
"updated_at": "2022-09-04T14:35:58.778365Z",
"structure_string": "Ba4 Ca1 Nb1\n1.0\n-0.000000 5.154241 5.154241\n5.154241 0.000000 5.154241\n5.154241 5.154241 0.000000\nBa Ca Nb\n4 1 1\ndirect\n0.121382 0.626206 0.626206 Ba\n0.626206 0.626206 0.626206 Ba\n0.626206 0.121382 0.626206 Ba\n0.626206 0.626206 0.121382 Ba\n0.250000 0.250000 0.250000 Ca\n0.000000 0.000000 0.000000 Nb\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Ca",
"Nb"
],
"chemical_system": "Ba-Ca-Nb",
"density": 4.137094669602325,
"density_atomic": 0.021909228808682308,
"volume": 273.8571974574608,
"volume_molar": 27.486776520465725,
"formula_full": "Ba4 Ca1 Nb1",
"formula_reduced": "Ba4CaNb",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.8952989499999999,
"spacegroup": 216
},
{
"id": "jvasp-65543",
"created_at": "2022-09-04T14:35:58.778276Z",
"updated_at": "2022-09-04T14:35:58.778299Z",
"structure_string": "Ba1 Zn1 Bi2\n1.0\n4.257451 -0.000000 0.000000\n-0.000000 4.257451 0.000000\n0.000000 -0.000000 7.169769\nBa Zn Bi\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ba\n0.500000 0.500000 0.000000 Zn\n0.000000 0.000000 0.789650 Bi\n0.000000 0.000000 0.210350 Bi\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Zn",
"Bi"
],
"chemical_system": "Ba-Bi-Zn",
"density": 7.930930129072232,
"density_atomic": 0.03077907127054833,
"volume": 129.95843717440212,
"volume_molar": 19.56570004034666,
"formula_full": "Ba1 Zn1 Bi2",
"formula_reduced": "BaZnBi2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.172601075,
"spacegroup": 123
},
{
"id": "jvasp-62662",
"created_at": "2022-09-04T14:35:58.775413Z",
"updated_at": "2022-09-04T14:35:58.775444Z",
"structure_string": "Na4 B4 H32 N8\n1.0\n0.000000 7.474775 -0.063990\n6.331148 0.000000 0.000000\n0.000000 -2.726094 -8.620425\nNa B H N\n4 4 32 8\ndirect\n0.596357 0.738052 0.650425 Na\n0.403643 0.238052 0.849576 Na\n0.403643 0.261949 0.349576 Na\n0.596357 0.761949 0.150425 Na\n0.319086 0.726048 0.333078 B\n0.680913 0.226048 0.166922 B\n0.680914 0.273952 0.666923 B\n0.319087 0.773952 0.833078 B\n0.558607 0.137041 0.636058 H\n0.441394 0.637041 0.863942 H\n0.336452 0.611994 0.447115 H\n0.663547 0.111993 0.052886 H\n0.663548 0.388007 0.552886 H\n0.336453 0.888007 0.947115 H\n0.164133 0.810040 0.297572 H\n0.334218 0.617007 0.224113 H\n0.835867 0.189960 0.702429 H\n0.164133 0.689960 0.797572 H\n0.558606 0.362960 0.136058 H\n0.665782 0.117006 0.275888 H\n0.665782 0.382994 0.775888 H\n0.334218 0.882994 0.724113 H\n0.835867 0.310040 0.202428 H\n0.441394 0.862960 0.363942 H\n0.808622 0.526374 0.418439 H\n0.191378 0.026374 0.081561 H\n0.972832 0.695344 0.106828 H\n0.027168 0.195343 0.393172 H\n0.027168 0.304657 0.893173 H\n0.814774 0.539457 0.989049 H\n0.185227 0.039457 0.510952 H\n0.185226 0.460543 0.010951 H\n0.972833 0.804657 0.606828 H\n0.963549 0.821321 0.869554 H\n0.036451 0.321320 0.630447 H\n0.036451 0.178680 0.130446 H\n0.963549 0.678680 0.369554 H\n0.808622 0.973626 0.918439 H\n0.191378 0.473626 0.581562 H\n0.814773 0.960544 0.489049 H\n0.156939 0.307684 0.974097 N\n0.837175 0.821536 0.893618 N\n0.162825 0.321536 0.606383 N\n0.162825 0.178464 0.106383 N\n0.837175 0.678464 0.393618 N\n0.843061 0.692316 0.025904 N\n0.156939 0.192316 0.474096 N\n0.843061 0.807684 0.525904 N\n",
"nsites": 48,
"nelements": 4,
"elements": [
"Na",
"B",
"H",
"N"
],
"chemical_system": "B-H-N-Na",
"density": 1.134655981588091,
"density_atomic": 0.1173431710418598,
"volume": 409.056612104653,
"volume_molar": 5.132076035214459,
"formula_full": "Na4 B4 H32 N8",
"formula_reduced": "NaB(H4N)2",
"formula_anonymous": "ABC2D8",
"energy_above_hull": 3.505299840277777,
"spacegroup": 14
},
{
"id": "jvasp-90736",
"created_at": "2022-09-04T14:35:58.773707Z",
"updated_at": "2022-09-04T14:35:58.773728Z",
"structure_string": "O8\n1.0\n-0.648385 0.000000 4.104605\n-2.852426 5.270830 -1.798658\n-2.852426 -5.270830 -1.798658\nO\n8\ndirect\n0.396481 0.698882 -0.051014 O\n0.103519 0.051015 0.301119 O\n0.603519 0.301119 0.051015 O\n0.896480 -0.051013 0.698883 O\n0.103431 0.551237 0.801082 O\n0.396569 0.198920 0.448765 O\n0.896569 0.448765 0.198920 O\n0.603431 0.801082 0.551237 O\n",
"nsites": 8,
"nelements": 1,
"elements": [
"O"
],
"chemical_system": "O",
"density": 1.5660657300862377,
"density_atomic": 0.05894638717233562,
"volume": 135.71654487680823,
"volume_molar": 10.216301708862451,
"formula_full": "O8",
"formula_reduced": "O",
"formula_anonymous": "A",
"energy_above_hull": 0.0878899999999998,
"spacegroup": 166
},
{
"id": "jvasp-64019",
"created_at": "2022-09-04T14:35:58.765689Z",
"updated_at": "2022-09-04T14:35:58.765715Z",
"structure_string": "Ba4 Ti1 Be1\n1.0\n0.000000 4.953443 4.953443\n4.953443 0.000000 4.953443\n4.953443 4.953443 0.000000\nBa Ti Be\n4 1 1\ndirect\n0.125604 0.624798 0.624798 Ba\n0.624798 0.624798 0.624798 Ba\n0.624798 0.125604 0.624798 Ba\n0.624798 0.624798 0.125604 Ba\n0.000000 0.000000 0.000000 Ti\n0.250000 0.250000 0.250000 Be\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Ti",
"Be"
],
"chemical_system": "Ba-Be-Ti",
"density": 4.140991519072684,
"density_atomic": 0.024683102410871998,
"volume": 243.08127479782365,
"volume_molar": 24.39782754921224,
"formula_full": "Ba4 Ti1 Be1",
"formula_reduced": "Ba4TiBe",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.065118052222222,
"spacegroup": 216
},
{
"id": "jvasp-67915",
"created_at": "2022-09-04T14:35:58.763324Z",
"updated_at": "2022-09-04T14:35:58.763350Z",
"structure_string": "Ta1 Be1 Zn2\n1.0\n2.824652 0.000000 0.000000\n-0.000000 2.824652 -0.000000\n0.000000 0.000000 6.913748\nTa Be Zn\n1 1 2\ndirect\n0.500000 0.500000 0.724014 Ta\n0.000000 0.000000 0.476358 Be\n0.000000 0.000000 0.019082 Zn\n0.500000 0.500000 0.280547 Zn\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ta",
"Be",
"Zn"
],
"chemical_system": "Be-Ta-Zn",
"density": 9.656290242018377,
"density_atomic": 0.07251311229250468,
"volume": 55.16243715846493,
"volume_molar": 8.304899030823256,
"formula_full": "Ta1 Be1 Zn2",
"formula_reduced": "TaBeZn2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.3528590249999994,
"spacegroup": 99
},
{
"id": "jvasp-65437",
"created_at": "2022-09-04T14:35:58.762091Z",
"updated_at": "2022-09-04T14:35:58.762122Z",
"structure_string": "Ba1 Mo1 Pt2\n1.0\n3.332613 0.000000 -0.000000\n0.000000 3.332613 0.000000\n0.000000 0.000000 7.727800\nBa Mo Pt\n1 1 2\ndirect\n0.500000 0.500000 0.000000 Ba\n0.500000 0.500000 0.500000 Mo\n0.000000 0.000000 0.680418 Pt\n0.000000 0.000000 0.319582 Pt\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Mo",
"Pt"
],
"chemical_system": "Ba-Mo-Pt",
"density": 12.061869784418793,
"density_atomic": 0.04660519713886007,
"volume": 85.82733784135726,
"volume_molar": 12.9216077384182,
"formula_full": "Ba1 Mo1 Pt2",
"formula_reduced": "BaMoPt2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.7126386675000003,
"spacegroup": 123
},
{
"id": "jvasp-91837",
"created_at": "2022-09-04T14:35:58.757888Z",
"updated_at": "2022-09-04T14:35:58.757916Z",
"structure_string": "Ce1 Al4 Ge2 Au1\n1.0\n4.154249 -0.015606 9.914366\n1.980545 3.651776 9.914366\n-0.026330 -0.015606 10.749498\nCe Al Ge Au\n1 4 2 1\ndirect\n0.500000 0.499999 0.500001 Ce\n0.916706 0.916705 0.916708 Al\n0.692041 0.692041 0.692043 Al\n0.083294 0.083294 0.083295 Al\n0.307958 0.307958 0.307959 Al\n0.776529 0.776528 0.776531 Ge\n0.223470 0.223470 0.223470 Ge\n0.000000 0.000000 0.000000 Au\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Ce",
"Al",
"Ge",
"Au"
],
"chemical_system": "Al-Au-Ce-Ge",
"density": 5.9514127229831715,
"density_atomic": 0.04857317272755499,
"volume": 164.6999681258559,
"volume_molar": 12.39807989026772,
"formula_full": "Ce1 Al4 Ge2 Au1",
"formula_reduced": "CeAl4Ge2Au",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 1.5373507712500003,
"spacegroup": 166
},
{
"id": "jvasp-65799",
"created_at": "2022-09-04T14:35:58.756157Z",
"updated_at": "2022-09-04T14:35:58.756181Z",
"structure_string": "Ba1 Cd1 Sb2\n1.0\n4.233895 0.000000 -0.000000\n-0.000000 4.233895 0.000000\n0.000000 0.000000 7.085912\nBa Cd Sb\n1 1 2\ndirect\n0.500001 0.500001 0.000000 Ba\n0.500001 0.500001 0.500000 Cd\n0.000000 0.000000 0.704790 Sb\n0.000000 0.000000 0.295210 Sb\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Cd",
"Sb"
],
"chemical_system": "Ba-Cd-Sb",
"density": 6.448330876367831,
"density_atomic": 0.03149082728954097,
"volume": 127.02111517179854,
"volume_molar": 19.12347587641856,
"formula_full": "Ba1 Cd1 Sb2",
"formula_reduced": "BaCdSb2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.5273153666666668,
"spacegroup": 123
}
]
}