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=updated_at&page=683",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=updated_at&page=681",
"results": [
{
"id": "jvasp-68490",
"created_at": "2022-09-04T14:36:03.373081Z",
"updated_at": "2022-09-04T14:36:03.373103Z",
"structure_string": "K2 Be2 Co1\n1.0\n-3.173049 3.173049 3.195705\n3.173049 -3.173049 3.195705\n3.173049 3.173049 -3.195705\nK Be Co\n2 2 1\ndirect\n0.750001 0.250000 0.500000 K\n0.250000 0.750001 0.500000 K\n0.669144 0.669144 0.000000 Be\n0.330858 0.330858 0.000000 Be\n0.000000 0.000000 0.000000 Co\n",
"nsites": 5,
"nelements": 3,
"elements": [
"K",
"Be",
"Co"
],
"chemical_system": "Be-Co-K",
"density": 2.0018534831466117,
"density_atomic": 0.03884988819594352,
"volume": 128.7004990794818,
"volume_molar": 15.501050426777798,
"formula_full": "K2 Be2 Co1",
"formula_reduced": "K2Be2Co",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.2792598200000005,
"spacegroup": 139
},
{
"id": "jvasp-63934",
"created_at": "2022-09-04T14:36:03.374326Z",
"updated_at": "2022-09-04T14:36:03.374350Z",
"structure_string": "Ba4 V1 Cr1\n1.0\n0.000000 5.004302 5.004302\n5.004302 0.000000 5.004302\n5.004302 5.004302 0.000000\nBa V Cr\n4 1 1\ndirect\n0.124626 0.625125 0.625125 Ba\n0.625125 0.625125 0.625125 Ba\n0.625125 0.124626 0.625125 Ba\n0.625125 0.625125 0.124626 Ba\n0.000000 0.000000 0.000000 V\n0.250000 0.250000 0.250000 Cr\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"V",
"Cr"
],
"chemical_system": "Ba-Cr-V",
"density": 4.321153837536973,
"density_atomic": 0.02393815764882555,
"volume": 250.64585537535598,
"volume_molar": 25.157077033016606,
"formula_full": "Ba4 V1 Cr1",
"formula_reduced": "Ba4VCr",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.7040709133333332,
"spacegroup": 216
},
{
"id": "jvasp-95211",
"created_at": "2022-09-04T14:36:03.374681Z",
"updated_at": "2022-09-04T14:36:03.374700Z",
"structure_string": "Na2 Si6 B2 O16\n1.0\n3.067611 6.200755 -2.105627\n-3.942834 6.223025 1.386608\n0.016000 0.001510 6.864900\nNa Si B O\n2 6 2 16\ndirect\n0.737232 0.246647 0.868413 Na\n0.262770 0.753353 0.131587 Na\n0.184277 0.195467 0.791176 Si\n0.815725 0.804533 0.208824 Si\n0.199973 0.599763 0.680339 Si\n0.800028 0.400237 0.319661 Si\n0.457038 0.816218 0.646130 Si\n0.542963 0.183782 0.353871 Si\n0.170847 0.147577 0.221709 B\n0.829154 0.852423 0.778291 B\n0.312308 0.925711 0.382550 O\n0.687694 0.074289 0.617451 O\n0.706877 0.652438 0.203112 O\n0.293124 0.347562 0.796888 O\n0.274462 0.271804 0.272152 O\n0.725540 0.728197 0.727848 O\n0.648968 0.021152 0.233487 O\n0.434475 0.605665 0.724647 O\n0.940151 0.248176 0.212926 O\n0.059850 0.751824 0.787074 O\n0.565526 0.394335 0.275353 O\n0.936505 0.326214 0.582773 O\n0.142264 0.127900 0.004424 O\n0.857738 0.872100 0.995576 O\n0.351033 0.978848 0.766513 O\n0.063496 0.673786 0.417227 O\n",
"nsites": 26,
"nelements": 4,
"elements": [
"Na",
"Si",
"B",
"O"
],
"chemical_system": "B-Na-O-Si",
"density": 2.730784040729093,
"density_atomic": 0.08688681610027468,
"volume": 299.23987512666844,
"volume_molar": 6.931017880837,
"formula_full": "Na2 Si6 B2 O16",
"formula_reduced": "NaSi3BO8",
"formula_anonymous": "ABC3D8",
"energy_above_hull": 2.8528727217948715,
"spacegroup": 2
},
{
"id": "jvasp-48103",
"created_at": "2022-09-04T14:36:03.374868Z",
"updated_at": "2022-09-04T14:36:03.374894Z",
"structure_string": "Mn6 O10 F2\n1.0\n4.496208 0.000000 0.000000\n0.000000 4.499214 0.000000\n0.000000 0.000000 8.832155\nMn O F\n6 10 2\ndirect\n0.011902 0.245935 0.175031 Mn\n0.979786 0.228595 0.500000 Mn\n0.011902 0.245935 0.824968 Mn\n0.479785 0.771404 0.000000 Mn\n0.511902 0.754064 0.324968 Mn\n0.511902 0.754064 0.675031 Mn\n0.805474 0.441313 0.665039 O\n0.805474 0.441313 0.334961 O\n0.305473 0.558686 0.834961 O\n0.305473 0.558686 0.165039 O\n0.697084 0.948799 0.835274 O\n0.190919 0.063430 0.000000 O\n0.697084 0.948799 0.164726 O\n0.197084 0.051201 0.664726 O\n0.197084 0.051201 0.335274 O\n0.690920 0.936569 0.500000 O\n0.300385 0.546060 0.500000 F\n0.800385 0.453940 0.000000 F\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Mn",
"O",
"F"
],
"chemical_system": "F-Mn-O",
"density": 4.903654467216357,
"density_atomic": 0.10074483237606581,
"volume": 178.669213849189,
"volume_molar": 5.97761752932421,
"formula_full": "Mn6 O10 F2",
"formula_reduced": "Mn3O5F",
"formula_anonymous": "AB3C5",
"energy_above_hull": 3.024385500737548,
"spacegroup": 31
},
{
"id": "jvasp-13915",
"created_at": "2022-09-04T14:36:03.377724Z",
"updated_at": "2022-09-04T14:36:03.377737Z",
"structure_string": "H8 Se4 O16\n1.0\n4.631303 0.000000 0.000000\n0.000000 8.186476 0.000000\n0.000000 0.000000 8.353574\nH Se O\n8 4 16\ndirect\n0.695279 0.271874 0.296075 H\n0.195279 0.228127 0.703924 H\n0.304720 0.771874 0.203925 H\n0.804720 0.728127 0.796075 H\n0.241112 0.542341 0.497993 H\n0.741111 0.957660 0.502007 H\n0.758888 0.042341 0.002007 H\n0.258888 0.457659 0.997993 H\n0.188571 0.959962 0.620570 Se\n0.311429 0.040038 0.120570 Se\n0.811428 0.459962 0.879430 Se\n0.688571 0.540038 0.379430 Se\n0.930642 0.020698 0.482470 O\n0.430642 0.479302 0.517530 O\n0.546082 0.359440 0.964403 O\n0.069358 0.520698 0.017530 O\n0.453917 0.859440 0.535596 O\n0.953917 0.640561 0.464403 O\n0.963758 0.372696 0.724642 O\n0.653064 0.643516 0.828282 O\n0.036241 0.872697 0.775358 O\n0.536241 0.627304 0.224642 O\n0.463758 0.127304 0.275358 O\n0.153064 0.856485 0.171718 O\n0.569357 0.979302 0.982470 O\n0.346936 0.143516 0.671717 O\n0.046082 0.140560 0.035596 O\n0.846935 0.356485 0.328282 O\n",
"nsites": 28,
"nelements": 3,
"elements": [
"H",
"Se",
"O"
],
"chemical_system": "H-O-Se",
"density": 3.040360911202028,
"density_atomic": 0.0884067690335604,
"volume": 316.7178294839711,
"volume_molar": 6.811854822693401,
"formula_full": "H8 Se4 O16",
"formula_reduced": "H2SeO4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.539002480952381,
"spacegroup": 19
},
{
"id": "jvasp-71409",
"created_at": "2022-09-04T14:36:03.380429Z",
"updated_at": "2022-09-04T14:36:03.380453Z",
"structure_string": "Be1 Sb2 Pt1\n1.0\n3.187207 0.000000 -0.000000\n0.000000 3.187207 0.000000\n0.000000 0.000000 8.159291\nBe Sb Pt\n1 2 1\ndirect\n0.000000 0.000000 0.578245 Be\n0.000000 0.000000 0.922834 Sb\n0.500000 0.500000 0.330460 Sb\n0.500000 0.500000 0.668460 Pt\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Sb",
"Pt"
],
"chemical_system": "Be-Pt-Sb",
"density": 8.967717369587488,
"density_atomic": 0.04825996779018657,
"volume": 82.88443161400909,
"volume_molar": 12.478542849803919,
"formula_full": "Be1 Sb2 Pt1",
"formula_reduced": "BeSb2Pt",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.892049925,
"spacegroup": 99
},
{
"id": "jvasp-94918",
"created_at": "2022-09-04T14:36:03.381023Z",
"updated_at": "2022-09-04T14:36:03.381053Z",
"structure_string": "La2 Fe1 Se2 O2\n1.0\n-0.000000 -3.989559 0.000000\n4.833529 -1.994780 -2.972869\n4.852080 -1.994780 4.230579\nLa Fe Se O\n2 1 2 2\ndirect\n0.807731 0.642786 0.741752 La\n0.192269 0.357214 0.258248 La\n0.000000 0.000000 0.000000 Fe\n0.557449 0.202172 0.682930 Se\n0.442551 0.797828 0.317070 Se\n0.191933 0.695376 0.920758 O\n0.808067 0.304624 0.079242 O\n",
"nsites": 7,
"nelements": 4,
"elements": [
"La",
"Fe",
"Se",
"O"
],
"chemical_system": "Fe-La-O-Se",
"density": 6.249003753196388,
"density_atomic": 0.05031309600070724,
"volume": 139.12878666623104,
"volume_molar": 11.969330529600777,
"formula_full": "La2 Fe1 Se2 O2",
"formula_reduced": "La2Fe(SeO)2",
"formula_anonymous": "AB2C2D2",
"energy_above_hull": 2.079327033333333,
"spacegroup": 12
},
{
"id": "jvasp-66145",
"created_at": "2022-09-04T14:36:03.381595Z",
"updated_at": "2022-09-04T14:36:03.381620Z",
"structure_string": "Ba4 In1 Fe1\n1.0\n-0.000000 4.937704 4.937704\n4.937704 0.000000 4.937704\n4.937704 4.937704 0.000000\nBa In Fe\n4 1 1\ndirect\n0.125697 0.624768 0.624768 Ba\n0.624768 0.624768 0.624768 Ba\n0.624768 0.125697 0.624768 Ba\n0.624768 0.624768 0.125697 Ba\n0.000000 0.000000 0.000000 In\n0.250000 0.250000 0.250000 Fe\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"In",
"Fe"
],
"chemical_system": "Ba-Fe-In",
"density": 4.965453853734784,
"density_atomic": 0.024919888763416068,
"volume": 240.771540232891,
"volume_molar": 24.166001771407878,
"formula_full": "Ba4 In1 Fe1",
"formula_reduced": "Ba4InFe",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.5206032249999999,
"spacegroup": 216
},
{
"id": "jvasp-15088",
"created_at": "2022-09-04T14:36:03.394476Z",
"updated_at": "2022-09-04T14:36:03.394497Z",
"structure_string": "Ce1 Cd3\n1.0\n4.463112 -0.000000 2.576780\n1.487704 4.207863 2.576780\n-0.000000 -0.000000 5.153558\nCe Cd\n1 3\ndirect\n0.000000 0.000000 0.000000 Ce\n0.499999 0.500000 0.500001 Cd\n0.250000 0.250000 0.250000 Cd\n0.749999 0.750000 0.750001 Cd\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ce",
"Cd"
],
"chemical_system": "Cd-Ce",
"density": 8.18989944294801,
"density_atomic": 0.04132886192091965,
"volume": 96.78466364870548,
"volume_molar": 14.57127169754399,
"formula_full": "Ce1 Cd3",
"formula_reduced": "CeCd3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-94254",
"created_at": "2022-09-04T14:36:03.396797Z",
"updated_at": "2022-09-04T14:36:03.396819Z",
"structure_string": "Hf1 Mg6 Zr1\n1.0\n6.475340 -0.111766 0.000000\n-3.334461 5.551925 0.000000\n0.000000 0.000000 5.029823\nHf Mg Zr\n1 6 1\ndirect\n0.310260 0.189740 0.750000 Hf\n0.181506 0.831047 0.250000 Mg\n0.668953 0.318495 0.250000 Mg\n0.671573 0.828428 0.250000 Mg\n0.318628 0.669209 0.750000 Mg\n0.830791 0.181372 0.750000 Mg\n0.828413 0.671587 0.750000 Mg\n0.189876 0.310124 0.250000 Zr\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Hf",
"Mg",
"Zr"
],
"chemical_system": "Hf-Mg-Zr",
"density": 3.8559627005867885,
"density_atomic": 0.04470506161805846,
"volume": 178.95065369440016,
"volume_molar": 13.470825320521149,
"formula_full": "Hf1 Mg6 Zr1",
"formula_reduced": "HfMg6Zr",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.694911475,
"spacegroup": 38
},
{
"id": "jvasp-66303",
"created_at": "2022-09-04T14:36:03.397057Z",
"updated_at": "2022-09-04T14:36:03.397085Z",
"structure_string": "Ba4 Mn1 Re1\n1.0\n0.000000 4.744189 4.744189\n4.744189 -0.000000 4.744189\n4.744189 4.744189 0.000000\nBa Mn Re\n4 1 1\ndirect\n0.124093 0.625302 0.625302 Ba\n0.625302 0.625302 0.625302 Ba\n0.625302 0.124093 0.625302 Ba\n0.625302 0.625302 0.124093 Ba\n0.250000 0.250000 0.250000 Mn\n0.000000 0.000000 0.000000 Re\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Mn",
"Re"
],
"chemical_system": "Ba-Mn-Re",
"density": 6.146235998466889,
"density_atomic": 0.02809540572247741,
"volume": 213.55804786260012,
"volume_molar": 21.43461041098992,
"formula_full": "Ba4 Mn1 Re1",
"formula_reduced": "Ba4MnRe",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.200728186896552,
"spacegroup": 216
},
{
"id": "jvasp-70002",
"created_at": "2022-09-04T14:36:03.407400Z",
"updated_at": "2022-09-04T14:36:03.407426Z",
"structure_string": "Be1 Ni1 Pt1\n1.0\n1.340894 -2.322496 0.000000\n1.340894 2.322496 -0.000000\n-0.000000 -0.000000 5.743963\nBe Ni Pt\n1 1 1\ndirect\n0.000000 0.000000 0.988685 Be\n0.333331 0.666666 0.703351 Ni\n0.666666 0.333331 0.307963 Pt\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Be",
"Ni",
"Pt"
],
"chemical_system": "Be-Ni-Pt",
"density": 12.197369773854529,
"density_atomic": 0.08385523940439797,
"volume": 35.775939837608504,
"volume_molar": 7.181591517445666,
"formula_full": "Be1 Ni1 Pt1",
"formula_reduced": "BeNiPt",
"formula_anonymous": "ABC",
"energy_above_hull": 1.5389933000000005,
"spacegroup": 156
}
]
}