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=267",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=created_at&page=265",
"results": [
{
"id": "jvasp-73332",
"created_at": "2022-09-04T14:35:49.497614Z",
"updated_at": "2022-09-04T14:35:49.497635Z",
"structure_string": "Be2 Zn1 Cr1\n1.0\n-1.964233 1.964233 2.778306\n1.964233 -1.964233 2.778306\n1.964233 1.964233 -2.778306\nBe Zn Cr\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.500001 0.500001 0.000000 Be\n0.749999 0.250000 0.499999 Zn\n0.250000 0.749999 0.499999 Cr\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Zn",
"Cr"
],
"chemical_system": "Be-Cr-Zn",
"density": 5.2448875661020775,
"density_atomic": 0.09328974736060618,
"volume": 42.877166174951995,
"volume_molar": 6.455308252386793,
"formula_full": "Be2 Zn1 Cr1",
"formula_reduced": "Be2ZnCr",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.7634024999999998,
"spacegroup": 225
},
{
"id": "jvasp-3186",
"created_at": "2022-09-04T14:35:49.498881Z",
"updated_at": "2022-09-04T14:35:49.498895Z",
"structure_string": "Y2 Zn2 P2 O2\n1.0\n3.830503 0.002264 9.670580\n1.847345 3.355603 9.670580\n0.003828 0.002264 10.401579\nY Zn P O\n2 2 2 2\ndirect\n0.620416 0.620414 0.620418 Y\n0.379584 0.379582 0.379585 Y\n0.803513 0.803510 0.803516 Zn\n0.196487 0.196486 0.196488 Zn\n0.111402 0.111402 0.111403 P\n0.888598 0.888595 0.888601 P\n0.694609 0.694606 0.694611 O\n0.305391 0.305390 0.305392 O\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Y",
"Zn",
"P",
"O"
],
"chemical_system": "O-P-Y-Zn",
"density": 5.007921168674112,
"density_atomic": 0.05993085411000294,
"volume": 133.4871681507495,
"volume_molar": 10.048481453220031,
"formula_full": "Y2 Zn2 P2 O2",
"formula_reduced": "YZnPO",
"formula_anonymous": "ABCD",
"energy_above_hull": 1.1712262125,
"spacegroup": 166
},
{
"id": "jvasp-52216",
"created_at": "2022-09-04T14:35:49.502152Z",
"updated_at": "2022-09-04T14:35:49.502178Z",
"structure_string": "Sc5 Cu5 O13\n1.0\n5.782426 -0.024875 0.017769\n0.932129 5.922944 0.000932\n2.900872 2.386567 7.900823\nSc Cu O\n5 5 13\ndirect\n0.700751 0.456307 0.110345 Sc\n0.101640 0.510388 0.296080 Sc\n0.499351 0.509857 0.499246 Sc\n0.899720 0.552381 0.690627 Sc\n0.300610 0.457679 0.904481 Sc\n0.430935 -0.001767 0.172957 Cu\n0.791591 0.005591 0.409594 Cu\n0.197084 0.013602 0.609176 Cu\n0.596189 0.996124 0.797549 Cu\n0.991674 0.995617 0.006996 Cu\n0.328311 0.042802 0.977237 O\n0.600361 0.330847 0.722023 O\n0.252682 0.684901 0.667686 O\n0.863513 0.950234 0.614698 O\n0.181077 0.342600 0.536533 O\n0.012474 0.659818 0.062294 O\n0.431077 0.668888 0.258338 O\n0.780380 0.330328 0.350751 O\n0.353656 0.319344 0.147297 O\n0.965463 0.331240 0.915341 O\n0.724628 0.050991 0.207232 O\n0.825680 0.683164 0.451638 O\n0.600992 0.662332 0.881162 O\n",
"nsites": 23,
"nelements": 3,
"elements": [
"Sc",
"Cu",
"O"
],
"chemical_system": "Cu-O-Sc",
"density": 4.6071683624255835,
"density_atomic": 0.08502783218550665,
"volume": 270.499663566872,
"volume_molar": 7.082552389271074,
"formula_full": "Sc5 Cu5 O13",
"formula_reduced": "Sc5Cu5O13",
"formula_anonymous": "A5B5C13",
"energy_above_hull": 2.236269304347826,
"spacegroup": 1
},
{
"id": "jvasp-85519",
"created_at": "2022-09-04T14:35:49.503368Z",
"updated_at": "2022-09-04T14:35:49.503393Z",
"structure_string": "La2 H2 O4\n1.0\n4.127293 0.000000 -1.700482\n0.000000 3.936742 0.000000\n0.005140 0.000000 6.624942\nLa H O\n2 2 4\ndirect\n0.637817 0.250000 0.306584 La\n0.362182 0.750000 0.693416 La\n0.086383 0.750000 0.070453 H\n0.913616 0.250000 0.929547 H\n0.778631 0.750000 0.538938 O\n0.221368 0.250000 0.461061 O\n0.298883 0.750000 0.059983 O\n0.701116 0.250000 0.940017 O\n",
"nsites": 8,
"nelements": 3,
"elements": [
"La",
"H",
"O"
],
"chemical_system": "H-La-O",
"density": 5.302280235740603,
"density_atomic": 0.07429624211015749,
"volume": 107.67704762427374,
"volume_molar": 8.105579217682502,
"formula_full": "La2 H2 O4",
"formula_reduced": "LaHO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.6282355,
"spacegroup": 11
},
{
"id": "jvasp-90857",
"created_at": "2022-09-04T14:35:49.505636Z",
"updated_at": "2022-09-04T14:35:49.505651Z",
"structure_string": "Ge4 Te4\n1.0\n0.000000 4.247010 -0.000000\n0.000000 -0.000000 4.345125\n12.161325 0.000000 0.000000\nGe Te\n4 4\ndirect\n0.250000 0.203498 0.634647 Ge\n0.250000 0.296502 0.134647 Ge\n0.750000 0.796503 0.365353 Ge\n0.750000 0.703499 0.865354 Ge\n0.250000 0.254638 0.873884 Te\n0.250000 0.245362 0.373884 Te\n0.750000 0.745363 0.126116 Te\n0.750000 0.754639 0.626117 Te\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ge",
"Te"
],
"chemical_system": "Ge-Te",
"density": 5.926434275013275,
"density_atomic": 0.03564704496739126,
"volume": 224.42252947805733,
"volume_molar": 16.893800777901383,
"formula_full": "Ge4 Te4",
"formula_reduced": "GeTe",
"formula_anonymous": "AB",
"energy_above_hull": 0.5230518583333335,
"spacegroup": 62
},
{
"id": "jvasp-95026",
"created_at": "2022-09-04T14:35:49.508107Z",
"updated_at": "2022-09-04T14:35:49.508133Z",
"structure_string": "Zr2 Sb3 Pd1\n1.0\n3.980655 0.000000 0.000000\n0.000000 3.980655 0.000000\n0.000000 0.000000 8.640694\nZr Sb Pd\n2 3 1\ndirect\n0.500001 0.000000 0.738605 Zr\n0.000000 0.500001 0.261394 Zr\n0.500001 0.000000 0.377823 Sb\n0.000000 0.500001 0.622176 Sb\n0.000000 0.000000 0.000000 Sb\n0.500001 0.500001 0.000000 Pd\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Zr",
"Sb",
"Pd"
],
"chemical_system": "Pd-Sb-Zr",
"density": 7.933547228432684,
"density_atomic": 0.04382213641460971,
"volume": 136.91710379505096,
"volume_molar": 13.742234525088785,
"formula_full": "Zr2 Sb3 Pd1",
"formula_reduced": "Zr2Sb3Pd",
"formula_anonymous": "AB2C3",
"energy_above_hull": 2.695558833333334,
"spacegroup": 115
},
{
"id": "jvasp-98781",
"created_at": "2022-09-04T14:35:49.508216Z",
"updated_at": "2022-09-04T14:35:49.508241Z",
"structure_string": "Dy2 P6 O18\n1.0\n6.210590 0.000000 2.588574\n2.805425 7.040118 2.013746\n0.053858 -0.025730 8.615393\nDy P O\n2 6 18\ndirect\n0.212814 0.355055 0.758569 Dy\n0.673560 0.855056 0.258570 Dy\n0.184739 0.821616 0.593624 P\n0.618106 0.616160 0.982218 P\n0.179822 0.886118 0.924540 P\n0.400020 0.321616 0.093624 P\n0.783515 0.116160 0.482218 P\n0.009520 0.386117 0.424540 P\n0.048711 0.320836 0.592800 O\n0.086648 0.872222 0.785082 O\n0.601222 0.215678 0.632735 O\n0.188734 0.078876 0.900306 O\n0.707073 0.075961 0.359476 O\n0.550364 0.715678 0.132736 O\n0.037652 0.820836 0.092801 O\n0.270883 0.611746 0.591162 O\n0.526208 0.111746 0.091162 O\n0.857489 0.575961 0.859476 O\n0.247875 0.419453 0.983567 O\n0.953711 0.230556 0.374139 O\n0.441593 0.730556 0.874140 O\n0.950023 0.914026 0.546677 O\n0.349105 0.919453 0.483567 O\n0.256047 0.372222 0.285082 O\n0.832083 0.578876 0.400306 O\n0.589273 0.414026 0.046677 O\n",
"nsites": 26,
"nelements": 3,
"elements": [
"Dy",
"P",
"O"
],
"chemical_system": "Dy-O-P",
"density": 3.5293411859954142,
"density_atomic": 0.06917713394433472,
"volume": 375.84673601715866,
"volume_molar": 8.705392109545736,
"formula_full": "Dy2 P6 O18",
"formula_reduced": "Dy(PO3)3",
"formula_anonymous": "AB3C9",
"energy_above_hull": 2.826559576923077,
"spacegroup": 9
},
{
"id": "jvasp-86325",
"created_at": "2022-09-04T14:35:49.515237Z",
"updated_at": "2022-09-04T14:35:49.515266Z",
"structure_string": "Ba1 Sn1 O3\n1.0\n4.173636 0.000000 -0.000000\n-0.000000 4.173636 -0.000000\n-0.000000 -0.000000 4.173636\nBa Sn O\n1 1 3\ndirect\n0.500001 0.500001 0.500001 Ba\n0.000000 0.000000 0.000000 Sn\n0.000000 0.500001 0.000000 O\n0.000000 0.000000 0.500001 O\n0.500001 0.000000 0.000000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ba",
"Sn",
"O"
],
"chemical_system": "Ba-O-Sn",
"density": 6.944312489664966,
"density_atomic": 0.0687743184155,
"volume": 72.70155655767468,
"volume_molar": 8.75638014122836,
"formula_full": "Ba1 Sn1 O3",
"formula_reduced": "BaSnO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.097981634,
"spacegroup": 221
},
{
"id": "jvasp-43543",
"created_at": "2022-09-04T14:35:49.517663Z",
"updated_at": "2022-09-04T14:35:49.517684Z",
"structure_string": "Mn3 Ni1 O4\n1.0\n-0.000000 2.172407 2.172407\n-4.440082 2.140942 -2.140942\n-4.440082 -2.140942 2.140942\nMn Ni O\n3 1 4\ndirect\n0.000000 0.500000 0.500000 Mn\n0.500001 0.000000 0.500000 Mn\n0.500001 0.500000 0.000000 Mn\n0.000000 0.000000 0.000000 Ni\n0.000000 0.736823 0.736823 O\n0.500001 0.245540 0.754460 O\n0.500001 0.754460 0.245540 O\n0.000000 0.263176 0.263176 O\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Mn",
"Ni",
"O"
],
"chemical_system": "Mn-Ni-O",
"density": 5.779597913588986,
"density_atomic": 0.09684850236532505,
"volume": 82.60323912726051,
"volume_molar": 6.21810416570378,
"formula_full": "Mn3 Ni1 O4",
"formula_reduced": "Mn3NiO4",
"formula_anonymous": "AB3C4",
"energy_above_hull": 3.254362265517241,
"spacegroup": 65
},
{
"id": "jvasp-70312",
"created_at": "2022-09-04T14:35:49.519364Z",
"updated_at": "2022-09-04T14:35:49.519379Z",
"structure_string": "Ta1 Be1 Ir1\n1.0\n1.423014 -2.464732 0.000000\n1.423014 2.464732 -0.000000\n-0.000000 -0.000000 6.078014\nTa Be Ir\n1 1 1\ndirect\n0.333332 0.666665 0.675237 Ta\n0.000000 0.000000 0.021377 Be\n0.666665 0.333332 0.303386 Ir\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ta",
"Be",
"Ir"
],
"chemical_system": "Be-Ir-Ta",
"density": 14.884804904508012,
"density_atomic": 0.07036402698945553,
"volume": 42.63542222291467,
"volume_molar": 8.558550466280808,
"formula_full": "Ta1 Be1 Ir1",
"formula_reduced": "TaBeIr",
"formula_anonymous": "ABC",
"energy_above_hull": 3.873755466666666,
"spacegroup": 156
},
{
"id": "jvasp-93161",
"created_at": "2022-09-04T14:35:49.524879Z",
"updated_at": "2022-09-04T14:35:49.524907Z",
"structure_string": "Li1 Mg6 Ga1\n1.0\n6.256828 0.000131 0.000000\n-3.128300 5.418375 0.000000\n0.000000 0.000000 4.996591\nLi Mg Ga\n1 6 1\ndirect\n0.166120 0.333059 0.250000 Li\n0.668869 0.332871 0.250000 Mg\n0.668869 0.835997 0.250000 Mg\n0.327156 0.163860 0.750000 Mg\n0.327156 0.663296 0.750000 Mg\n0.836197 0.168098 0.750000 Mg\n0.835704 0.667852 0.750000 Mg\n0.169928 0.834963 0.250000 Ga\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Li",
"Mg",
"Ga"
],
"chemical_system": "Ga-Li-Mg",
"density": 2.181047254032772,
"density_atomic": 0.04722670659895858,
"volume": 169.39567833799387,
"volume_molar": 12.751557738588525,
"formula_full": "Li1 Mg6 Ga1",
"formula_reduced": "LiMg6Ga",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0,
"spacegroup": 38
},
{
"id": "jvasp-74985",
"created_at": "2022-09-04T14:35:49.525418Z",
"updated_at": "2022-09-04T14:35:49.525439Z",
"structure_string": "Na1 Mg2 Be1\n1.0\n-2.383685 2.383685 3.371404\n2.383685 -2.383685 3.371404\n2.383685 2.383685 -3.371404\nNa Mg Be\n1 2 1\ndirect\n0.250000 0.750001 0.500001 Na\n0.000000 0.000000 0.000000 Mg\n0.499999 0.499999 0.000000 Mg\n0.750001 0.250000 0.500001 Be\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Na",
"Mg",
"Be"
],
"chemical_system": "Be-Mg-Na",
"density": 1.7469481493016952,
"density_atomic": 0.052202520802952186,
"volume": 76.62465219062352,
"volume_molar": 11.536111029449431,
"formula_full": "Na1 Mg2 Be1",
"formula_reduced": "NaMg2Be",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
}
]
}