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=-volume&page=4033",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-volume&page=4031",
"results": [
{
"id": "jvasp-36322",
"created_at": "2022-09-04T14:37:18.199663Z",
"updated_at": "2022-09-04T14:37:18.199688Z",
"structure_string": "Mn1 Sb1\n1.0\n3.073685 3.073685 0.000000\n3.073685 0.000000 -3.073685\n-0.000000 3.073685 -3.073685\nMn Sb\n1 1\ndirect\n0.000000 0.000000 0.000000 Mn\n0.749999 0.749999 0.749999 Sb\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Mn",
"Sb"
],
"chemical_system": "Mn-Sb",
"density": 5.052109711852135,
"density_atomic": 0.03443673169134459,
"volume": 58.077520768403375,
"volume_molar": 17.487550252957423,
"formula_full": "Mn1 Sb1",
"formula_reduced": "MnSb",
"formula_anonymous": "AB",
"energy_above_hull": 2.2007716706896545,
"spacegroup": 216
},
{
"id": "jvasp-114618",
"created_at": "2022-09-04T14:38:41.489117Z",
"updated_at": "2022-09-04T14:38:41.489150Z",
"structure_string": "Be1 In1 Pt1\n1.0\n2.808539 0.000000 0.000000\n-0.000000 2.808539 -0.000000\n0.000000 -0.000000 7.362594\nBe In Pt\n1 1 1\ndirect\n0.000000 0.000000 0.297084 Be\n0.000000 0.000000 0.637834 In\n0.000000 0.000000 0.016329 Pt\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Be",
"In",
"Pt"
],
"chemical_system": "Be-In-Pt",
"density": 9.118662870836065,
"density_atomic": 0.051657036095814846,
"volume": 58.075341264944434,
"volume_molar": 11.657929326084394,
"formula_full": "Be1 In1 Pt1",
"formula_reduced": "BeInPt",
"formula_anonymous": "ABC",
"energy_above_hull": 1.3217391566666663,
"spacegroup": 99
},
{
"id": "jvasp-41779",
"created_at": "2022-09-04T14:37:33.436234Z",
"updated_at": "2022-09-04T14:37:33.436260Z",
"structure_string": "Li1 Pd3\n1.0\n3.872505 -0.000000 0.000000\n-0.000000 3.872505 -0.000000\n-0.000000 -0.000000 3.872505\nLi Pd\n1 3\ndirect\n0.000000 0.000000 0.000000 Li\n0.500001 0.000000 0.500001 Pd\n0.000000 0.500001 0.500001 Pd\n0.500001 0.500001 0.000000 Pd\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Li",
"Pd"
],
"chemical_system": "Li-Pd",
"density": 9.327353231542116,
"density_atomic": 0.06887855536678168,
"volume": 58.07322727225918,
"volume_molar": 8.743128725525391,
"formula_full": "Li1 Pd3",
"formula_reduced": "LiPd3",
"formula_anonymous": "AB3",
"energy_above_hull": 1.3477667750000002,
"spacegroup": 221
},
{
"id": "jvasp-35055",
"created_at": "2022-09-04T14:37:32.655346Z",
"updated_at": "2022-09-04T14:37:32.655373Z",
"structure_string": "Re2 N4\n1.0\n1.470459 -2.546909 -0.000000\n1.470459 2.546909 -0.000000\n-0.000000 -0.000000 7.752758\nRe N\n2 4\ndirect\n0.666668 0.333333 0.250000 Re\n0.333333 0.666668 0.750000 Re\n0.000000 0.000000 0.413230 N\n0.000000 0.000000 0.586770 N\n0.000000 0.000000 0.913230 N\n0.000000 0.000000 0.086770 N\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Re",
"N"
],
"chemical_system": "N-Re",
"density": 12.251445929843173,
"density_atomic": 0.10332339767156831,
"volume": 58.07009966002145,
"volume_molar": 5.828438568331288,
"formula_full": "Re2 N4",
"formula_reduced": "ReN2",
"formula_anonymous": "AB2",
"energy_above_hull": 5.193728166666666,
"spacegroup": 194
},
{
"id": "jvasp-40506",
"created_at": "2022-09-04T14:37:58.953661Z",
"updated_at": "2022-09-04T14:37:58.953683Z",
"structure_string": "Ta1 Cu1 Rh2\n1.0\n0.000001 3.073508 3.073508\n3.073509 0.000000 3.073509\n3.073509 3.073510 -0.000001\nTa Cu Rh\n1 1 2\ndirect\n0.750002 0.750001 0.750001 Ta\n0.250000 0.250000 0.250000 Cu\n-0.000000 0.000000 0.000001 Rh\n0.500000 0.500000 0.500000 Rh\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ta",
"Cu",
"Rh"
],
"chemical_system": "Cu-Rh-Ta",
"density": 12.877227203926141,
"density_atomic": 0.06888530708114338,
"volume": 58.06753529149843,
"volume_molar": 8.74227177779178,
"formula_full": "Ta1 Cu1 Rh2",
"formula_reduced": "TaCuRh2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.904178912499999,
"spacegroup": 225
},
{
"id": "jvasp-71286",
"created_at": "2022-09-04T14:35:43.104917Z",
"updated_at": "2022-09-04T14:35:43.104938Z",
"structure_string": "Be2 P1 Cl1\n1.0\n3.207529 0.000000 0.000000\n0.000000 3.207529 0.000000\n0.000000 0.000000 5.643711\nBe P Cl\n2 1 1\ndirect\n0.000000 0.000000 0.857768 Be\n0.500000 0.500000 0.287394 Be\n0.500000 0.500000 0.922104 P\n0.000000 0.000000 0.432733 Cl\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"P",
"Cl"
],
"chemical_system": "Be-Cl-P",
"density": 2.4151749309407635,
"density_atomic": 0.06888966003449064,
"volume": 58.063866159266,
"volume_molar": 8.74171937702251,
"formula_full": "Be2 P1 Cl1",
"formula_reduced": "Be2PCl",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.6477679418749998,
"spacegroup": 99
},
{
"id": "jvasp-67931",
"created_at": "2022-09-04T14:36:18.243793Z",
"updated_at": "2022-09-04T14:36:18.243818Z",
"structure_string": "Ti2 Be1 Mo1\n1.0\n-1.908510 1.908510 3.985234\n1.908510 -1.908510 3.985234\n1.908510 1.908510 -3.985234\nTi Be Mo\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Ti\n0.250000 0.750000 0.500000 Ti\n0.499999 0.499999 0.000000 Be\n0.750000 0.250000 0.500000 Mo\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"Be",
"Mo"
],
"chemical_system": "Be-Mo-Ti",
"density": 5.73936533452227,
"density_atomic": 0.06889017586572439,
"volume": 58.063431392547216,
"volume_molar": 8.741653921363055,
"formula_full": "Ti2 Be1 Mo1",
"formula_reduced": "Ti2BeMo",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.8680346666666665,
"spacegroup": 119
},
{
"id": "jvasp-79392",
"created_at": "2022-09-04T14:36:45.783023Z",
"updated_at": "2022-09-04T14:36:45.783046Z",
"structure_string": "V2 Mo1 W1\n1.0\n0.000000 3.073417 3.073417\n3.073417 0.000000 3.073417\n3.073417 3.073417 0.000000\nV Mo W\n2 1 1\ndirect\n0.000000 0.000000 0.000000 V\n0.500001 0.500001 0.500001 V\n0.249999 0.249999 0.249999 Mo\n0.750001 0.750001 0.750001 W\n",
"nsites": 4,
"nelements": 3,
"elements": [
"V",
"Mo",
"W"
],
"chemical_system": "Mo-V-W",
"density": 10.915275306204284,
"density_atomic": 0.06889148211991243,
"volume": 58.06233044946841,
"volume_molar": 8.74148817050832,
"formula_full": "V2 Mo1 W1",
"formula_reduced": "V2MoW",
"formula_anonymous": "ABC2",
"energy_above_hull": 5.613766075,
"spacegroup": 225
},
{
"id": "jvasp-66925",
"created_at": "2022-09-04T14:36:10.055265Z",
"updated_at": "2022-09-04T14:36:10.055275Z",
"structure_string": "Ca1 Ti1 Be1\n1.0\n-1.571264 1.571264 5.879218\n1.571264 -1.571264 5.879218\n1.571264 1.571264 -5.879218\nCa Ti Be\n1 1 1\ndirect\n0.349762 0.349762 0.000000 Ca\n0.623146 0.623146 0.000000 Ti\n0.027091 0.027091 0.000000 Be\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ca",
"Ti",
"Be"
],
"chemical_system": "Be-Ca-Ti",
"density": 2.7730085334787313,
"density_atomic": 0.05167058503121842,
"volume": 58.06011288990545,
"volume_molar": 11.654872412150034,
"formula_full": "Ca1 Ti1 Be1",
"formula_reduced": "CaTiBe",
"formula_anonymous": "ABC",
"energy_above_hull": 1.6387282844444444,
"spacegroup": 107
},
{
"id": "jvasp-93232",
"created_at": "2022-09-04T14:35:57.467849Z",
"updated_at": "2022-09-04T14:35:57.467877Z",
"structure_string": "Sr1 Cu1 O3\n1.0\n3.872149 0.000000 -0.000000\n-0.000000 3.872149 -0.000000\n0.000000 -0.000000 3.872149\nSr Cu O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Sr\n0.000000 0.000000 0.000000 Cu\n0.500000 0.000000 0.000000 O\n0.000000 0.500000 0.000000 O\n0.000000 0.000000 0.500000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Sr",
"Cu",
"O"
],
"chemical_system": "Cu-O-Sr",
"density": 5.6964487163431095,
"density_atomic": 0.08612194363694513,
"volume": 58.05721270153811,
"volume_molar": 6.992574140438448,
"formula_full": "Sr1 Cu1 O3",
"formula_reduced": "SrCuO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.0169674519999998,
"spacegroup": 221
},
{
"id": "jvasp-41668",
"created_at": "2022-09-04T14:37:31.792664Z",
"updated_at": "2022-09-04T14:37:31.792684Z",
"structure_string": "Ti2 Ni1 Mo1\n1.0\n-0.000001 3.073324 3.073322\n3.073320 -0.000000 3.073321\n3.073319 3.073321 0.000002\nTi Ni Mo\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Ti\n0.499999 0.500000 0.500000 Ti\n0.749999 0.750001 0.750001 Ni\n0.250000 0.250001 0.250001 Mo\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"Ni",
"Mo"
],
"chemical_system": "Mo-Ni-Ti",
"density": 7.160990715119223,
"density_atomic": 0.06889793812198222,
"volume": 58.0568897855563,
"volume_molar": 8.740669059410656,
"formula_full": "Ti2 Ni1 Mo1",
"formula_reduced": "Ti2NiMo",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.588031241666666,
"spacegroup": 225
},
{
"id": "jvasp-18435",
"created_at": "2022-09-04T14:36:46.877325Z",
"updated_at": "2022-09-04T14:36:46.877349Z",
"structure_string": "Cu1 C1 O3\n1.0\n3.038920 -0.393160 -0.042307\n-0.084599 4.319073 1.741489\n-0.543089 0.467358 4.602279\nCu C O\n1 1 3\ndirect\n0.463330 0.434887 0.434887 Cu\n0.110540 0.021804 0.021804 C\n0.385659 0.155040 0.155040 O\n0.977735 0.171108 0.707159 O\n0.977735 0.707160 0.171108 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Cu",
"C",
"O"
],
"chemical_system": "C-Cu-O",
"density": 3.534072104965454,
"density_atomic": 0.08612640890586411,
"volume": 58.05420269484339,
"volume_molar": 6.992211606758364,
"formula_full": "Cu1 C1 O3",
"formula_reduced": "CuCO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.54746619,
"spacegroup": 8
}
]
}