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=formula_anonymous&page=1576",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_anonymous&page=1574",
"results": [
{
"id": "jvasp-120740",
"created_at": "2022-09-04T14:38:54.210344Z",
"updated_at": "2022-09-04T14:38:54.210372Z",
"structure_string": "Li2 V4 F14\n1.0\n7.168145 -0.202836 1.994732\n3.693368 6.146745 1.994732\n0.042229 0.023109 5.162968\nLi V F\n2 4 14\ndirect\n0.507716 0.492285 0.250000 Li\n0.492285 0.507716 0.750000 Li\n0.660103 0.011765 0.732164 V\n0.011765 0.660103 0.232164 V\n0.339898 0.988235 0.267835 V\n0.988236 0.339898 0.767835 V\n0.148857 0.078032 0.013512 F\n0.078032 0.148857 0.513512 F\n0.578345 0.805570 0.005185 F\n0.805570 0.578344 0.505185 F\n-0.000000 0.500000 -0.000000 F\n0.500001 -0.000000 0.500000 F\n0.851144 0.921968 0.986487 F\n0.421656 0.194430 -0.005186 F\n0.364255 0.720516 0.464531 F\n0.921968 0.851144 0.486487 F\n0.279485 0.635746 0.035468 F\n0.635746 0.279485 0.535468 F\n0.194430 0.421656 0.494814 F\n0.720516 0.364254 0.964531 F\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Li",
"V",
"F"
],
"chemical_system": "F-Li-V",
"density": 3.481702206863966,
"density_atomic": 0.086708804658422,
"volume": 230.65708354286954,
"volume_molar": 6.9452471219311995,
"formula_full": "Li2 V4 F14",
"formula_reduced": "LiV2F7",
"formula_anonymous": "AB2C7",
"energy_above_hull": 0.70543603775,
"spacegroup": 15
},
{
"id": "jvasp-34679",
"created_at": "2022-09-04T14:38:09.409476Z",
"updated_at": "2022-09-04T14:38:09.409490Z",
"structure_string": "Ti2 As4 O14\n1.0\n5.238269 0.003016 -0.854790\n-0.895492 5.161160 -0.854790\n-0.013266 -0.015774 9.576426\nTi As O\n2 4 14\ndirect\n0.000000 0.000000 0.000000 Ti\n-0.000000 0.000000 0.500000 Ti\n0.563045 0.825815 0.197420 As\n0.825814 0.563046 0.697421 As\n0.174186 0.436956 0.302580 As\n0.436955 0.174187 0.802580 As\n0.712143 0.035471 0.352797 O\n0.715672 0.077572 0.869573 O\n0.964530 0.287858 0.147204 O\n0.749584 0.761659 0.072834 O\n0.761658 0.749585 0.572834 O\n0.238342 0.250417 0.427166 O\n0.287857 0.964531 0.647204 O\n0.476900 0.523101 0.250000 O\n0.077570 0.715673 0.369573 O\n0.035470 0.712143 0.852797 O\n0.250416 0.238343 0.927166 O\n0.284328 0.922430 0.130427 O\n0.922430 0.284329 0.630428 O\n0.523100 0.476901 0.750000 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Ti",
"As",
"O"
],
"chemical_system": "As-O-Ti",
"density": 3.9745104223185974,
"density_atomic": 0.07728316927525164,
"volume": 258.7885588486676,
"volume_molar": 7.792305642321099,
"formula_full": "Ti2 As4 O14",
"formula_reduced": "TiAs2O7",
"formula_anonymous": "AB2C7",
"energy_above_hull": 2.8570516333333327,
"spacegroup": 15
},
{
"id": "jvasp-35177",
"created_at": "2022-09-04T14:38:05.209813Z",
"updated_at": "2022-09-04T14:38:05.209839Z",
"structure_string": "Mg2 S4 O14\n1.0\n4.912412 -0.049795 0.004557\n-2.008967 6.717178 -0.011725\n-0.653514 -0.575053 8.148945\nMg S O\n2 4 14\ndirect\n-0.000000 0.500000 0.000000 Mg\n0.500000 -0.000000 0.500000 Mg\n0.521834 0.652639 0.770617 S\n0.478166 0.347361 0.229384 S\n0.134156 0.254099 0.685742 S\n0.865844 0.745901 0.314258 S\n0.654454 0.851506 0.321462 O\n0.345546 0.148494 0.678539 O\n0.095522 0.804964 0.444800 O\n0.904478 0.195036 0.555200 O\n0.706435 0.514969 0.361118 O\n0.293565 0.485031 0.638882 O\n0.635670 0.321557 0.091900 O\n0.599124 0.822466 0.672813 O\n0.046879 0.270819 0.849394 O\n0.364329 0.678443 0.908101 O\n0.244190 0.428115 0.189457 O\n0.755809 0.571886 0.810544 O\n0.400875 0.177534 0.327188 O\n0.953121 0.729181 0.150606 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Mg",
"S",
"O"
],
"chemical_system": "Mg-O-S",
"density": 2.483090158941905,
"density_atomic": 0.07460688907137297,
"volume": 268.07175917584397,
"volume_molar": 8.071829337688769,
"formula_full": "Mg2 S4 O14",
"formula_reduced": "MgS2O7",
"formula_anonymous": "AB2C7",
"energy_above_hull": 2.200890355,
"spacegroup": 2
},
{
"id": "jvasp-21253",
"created_at": "2022-09-04T14:38:12.269365Z",
"updated_at": "2022-09-04T14:38:12.269392Z",
"structure_string": "Te4 S2 O14\n1.0\n4.598084 0.000000 0.000000\n0.000000 6.951174 0.000000\n0.000000 0.000000 8.998887\nTe S O\n4 2 14\ndirect\n0.744985 0.319581 0.699648 Te\n0.244985 0.680419 0.800352 Te\n0.244985 0.680419 0.199648 Te\n0.744985 0.319581 0.300352 Te\n0.169028 0.008319 0.500000 S\n0.669028 0.991680 0.000000 S\n0.406942 0.151579 0.500000 O\n0.906942 0.848421 0.000000 O\n0.987078 0.037980 0.636579 O\n0.487078 0.962019 0.863421 O\n0.487078 0.962019 0.136579 O\n0.987078 0.037980 0.363421 O\n0.631962 0.597148 0.743935 O\n0.631962 0.597148 0.256065 O\n0.331969 0.586745 0.000000 O\n0.131963 0.402852 0.756065 O\n0.775303 0.191089 0.000000 O\n0.275304 0.808911 0.500000 O\n0.131963 0.402852 0.243935 O\n0.831969 0.413254 0.500000 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Te",
"S",
"O"
],
"chemical_system": "O-S-Te",
"density": 4.6101165670997615,
"density_atomic": 0.06953542871395581,
"volume": 287.62316375833296,
"volume_molar": 8.66053588994606,
"formula_full": "Te4 S2 O14",
"formula_reduced": "Te2SO7",
"formula_anonymous": "AB2C7",
"energy_above_hull": 2.345331003333333,
"spacegroup": 31
},
{
"id": "jvasp-43698",
"created_at": "2022-09-04T14:38:15.455624Z",
"updated_at": "2022-09-04T14:38:15.455642Z",
"structure_string": "Li2 Fe4 F14\n1.0\n0.000000 5.225701 -0.089085\n4.972688 0.000000 0.000000\n0.000000 -1.293310 -9.170845\nLi Fe F\n2 4 14\ndirect\n0.500000 0.089007 0.750000 Li\n0.500000 0.910994 0.250000 Li\n0.060852 0.748384 0.931780 Fe\n0.060852 0.251616 0.431780 Fe\n0.939148 0.748384 0.568220 Fe\n0.939148 0.251616 0.068220 Fe\n0.773157 0.429377 0.494310 F\n0.773157 0.570623 0.994310 F\n0.649310 0.106700 0.120315 F\n0.649310 0.893301 0.620315 F\n0.350689 0.106700 0.379685 F\n0.350689 0.893301 0.879685 F\n0.125662 0.923704 0.116069 F\n0.226842 0.570623 0.505690 F\n0.874338 0.076296 0.883931 F\n0.125662 0.076296 0.616070 F\n0.000000 0.419533 0.250000 F\n0.000000 0.580468 0.750000 F\n0.226842 0.429377 0.005690 F\n0.874338 0.923704 0.383930 F\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Li",
"Fe",
"F"
],
"chemical_system": "F-Fe-Li",
"density": 3.4981303368591816,
"density_atomic": 0.08372247103482673,
"volume": 238.88449245221673,
"volume_molar": 7.1929801946420335,
"formula_full": "Li2 Fe4 F14",
"formula_reduced": "LiFe2F7",
"formula_anonymous": "AB2C7",
"energy_above_hull": 0.56499629775,
"spacegroup": 13
},
{
"id": "jvasp-58927",
"created_at": "2022-09-04T14:37:03.815612Z",
"updated_at": "2022-09-04T14:37:03.815626Z",
"structure_string": "Ge2 P4 O14\n1.0\n4.698623 -0.031301 0.011515\n-1.831059 6.542357 0.005245\n-0.367786 -0.318797 7.803299\nGe P O\n2 4 14\ndirect\n0.499999 0.500000 0.500000 Ge\n0.000000 0.000000 0.000000 Ge\n0.888353 0.254280 0.310476 P\n0.111645 0.745720 0.689524 P\n0.469232 0.858248 0.235783 P\n0.530767 0.141752 0.764217 P\n0.964882 0.236686 0.123160 O\n0.035116 0.763314 0.876840 O\n0.378953 0.667203 0.339554 O\n0.621046 0.332797 0.660446 O\n0.702438 0.405644 0.324007 O\n0.297560 0.594356 0.675994 O\n0.848909 0.709632 0.559231 O\n0.687249 0.032350 0.360014 O\n0.365542 0.165282 0.924291 O\n0.151089 0.290368 0.440770 O\n0.808476 0.072436 0.804424 O\n0.191522 0.927564 0.195576 O\n0.312749 0.967650 0.639987 O\n0.634457 0.834718 0.075710 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Ge",
"P",
"O"
],
"chemical_system": "Ge-O-P",
"density": 3.4197423753701854,
"density_atomic": 0.0835180969274829,
"volume": 239.46905803380076,
"volume_molar": 7.210581875720786,
"formula_full": "Ge2 P4 O14",
"formula_reduced": "GeP2O7",
"formula_anonymous": "AB2C7",
"energy_above_hull": 2.622853145,
"spacegroup": 2
},
{
"id": "jvasp-58898",
"created_at": "2022-09-04T14:37:02.578422Z",
"updated_at": "2022-09-04T14:37:02.578444Z",
"structure_string": "Th2 Ta4 O14\n1.0\n3.914224 0.000000 -0.000000\n-1.957113 7.707038 -0.803075\n-0.000000 -0.009665 8.425601\nTh Ta O\n2 4 14\ndirect\n0.313706 0.627410 0.333985 Th\n0.686294 0.372590 0.666016 Th\n0.071708 0.143418 0.365696 Ta\n0.928292 0.856582 0.634305 Ta\n0.109042 0.218083 0.980314 Ta\n0.890958 0.781917 0.019686 Ta\n0.831542 0.663085 0.806717 O\n0.168458 0.336916 0.193283 O\n0.802398 0.604800 0.166171 O\n0.197602 0.395201 0.833829 O\n0.987544 0.975088 0.858886 O\n0.585173 0.170347 0.389479 O\n0.414827 0.829654 0.610521 O\n0.392707 0.785413 0.065705 O\n0.607293 0.214588 0.934296 O\n0.057151 0.114302 0.608548 O\n0.942849 0.885699 0.391453 O\n0.012456 0.024913 0.141115 O\n0.195477 0.390955 0.497031 O\n0.804523 0.609046 0.502970 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Th",
"Ta",
"O"
],
"chemical_system": "O-Ta-Th",
"density": 9.224829470990175,
"density_atomic": 0.07869512768212952,
"volume": 254.14534023993582,
"volume_molar": 7.652495062114928,
"formula_full": "Th2 Ta4 O14",
"formula_reduced": "ThTa2O7",
"formula_anonymous": "AB2C7",
"energy_above_hull": 3.69547885,
"spacegroup": 12
},
{
"id": "jvasp-57827",
"created_at": "2022-09-04T14:37:15.505674Z",
"updated_at": "2022-09-04T14:37:15.505694Z",
"structure_string": "K1 Yb2 F7\n1.0\n0.000000 5.688673 0.276333\n4.307471 0.000000 0.000000\n0.000000 -2.823981 -6.616330\nYb K F\n2 1 7\ndirect\n0.691326 0.989213 0.762099 Yb\n0.308674 0.989213 0.237901 Yb\n0.000000 0.489231 0.500000 K\n0.141171 0.989434 0.878947 F\n0.712333 0.989236 0.462850 F\n0.269521 0.489218 0.242272 F\n0.858829 0.989434 0.121053 F\n0.287667 0.989236 0.537150 F\n0.500000 -0.010636 0.000000 F\n0.730479 0.489218 0.757728 F\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Yb",
"K",
"F"
],
"chemical_system": "F-K-Yb",
"density": 5.41960245514233,
"density_atomic": 0.06298664552127432,
"volume": 158.76381282477422,
"volume_molar": 9.560980284250835,
"formula_full": "K1 Yb2 F7",
"formula_reduced": "KYb2F7",
"formula_anonymous": "AB2C7",
"energy_above_hull": 0.0,
"spacegroup": 10
},
{
"id": "jvasp-34841",
"created_at": "2022-09-04T14:37:12.043406Z",
"updated_at": "2022-09-04T14:37:12.043416Z",
"structure_string": "Fe1 As2 O7\n1.0\n4.994851 -0.146204 -0.808362\n1.062223 4.882786 0.808362\n-0.010341 0.013223 4.694705\nFe As O\n1 2 7\ndirect\n0.110755 0.110755 -0.000000 Fe\n0.686316 0.259941 0.402115 As\n0.259940 0.686317 0.597884 As\n0.836412 0.030659 0.727594 O\n0.854179 0.357676 0.120981 O\n0.396260 0.136667 0.298606 O\n0.030658 0.836412 0.272405 O\n0.357675 0.854180 0.879018 O\n0.136667 0.396261 0.701393 O\n0.578585 0.578586 0.499999 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Fe",
"As",
"O"
],
"chemical_system": "As-Fe-O",
"density": 4.58229065157888,
"density_atomic": 0.08686367370272487,
"volume": 115.12292277924121,
"volume_molar": 6.932864456792011,
"formula_full": "Fe1 As2 O7",
"formula_reduced": "FeAs2O7",
"formula_anonymous": "AB2C7",
"energy_above_hull": 2.8747923499999994,
"spacegroup": 5
},
{
"id": "jvasp-34727",
"created_at": "2022-09-04T14:37:56.377165Z",
"updated_at": "2022-09-04T14:37:56.377191Z",
"structure_string": "Zr2 P4 O14\n1.0\n5.470288 0.000000 0.000000\n0.000000 6.824755 -0.000000\n0.000000 -0.000000 8.526942\nZr P O\n2 4 14\ndirect\n0.000000 0.500000 0.000000 Zr\n0.500000 0.000000 0.500000 Zr\n0.000000 0.310985 0.392941 P\n0.500000 0.810985 0.107059 P\n0.500000 0.189015 0.892941 P\n0.000000 0.689014 0.607059 P\n0.768986 0.197854 0.432804 O\n0.000000 0.500000 0.500000 O\n0.268986 0.302146 0.932804 O\n0.768986 0.802145 0.567195 O\n0.500000 0.118912 0.723961 O\n0.231014 0.802145 0.567195 O\n0.231014 0.197854 0.432804 O\n0.000000 0.618912 0.776039 O\n0.731015 0.697854 0.067196 O\n0.000000 0.381087 0.223961 O\n0.500000 0.881087 0.276039 O\n0.268986 0.697854 0.067196 O\n0.731015 0.302146 0.932804 O\n0.500000 0.000000 0.000000 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Zr",
"P",
"O"
],
"chemical_system": "O-P-Zr",
"density": 2.766358959534341,
"density_atomic": 0.062826002847772,
"volume": 318.3395265247129,
"volume_molar": 9.585427191017875,
"formula_full": "Zr2 P4 O14",
"formula_reduced": "ZrP2O7",
"formula_anonymous": "AB2C7",
"energy_above_hull": 2.978808,
"spacegroup": 58
},
{
"id": "jvasp-50037",
"created_at": "2022-09-04T14:37:35.773307Z",
"updated_at": "2022-09-04T14:37:35.773328Z",
"structure_string": "Ba4 Y2 Cl14\n1.0\n8.220531 4.057560 -0.311389\n-8.220531 4.057560 0.311389\n-5.916851 0.000000 8.161308\nBa Y Cl\n4 2 14\ndirect\n0.311084 0.680986 0.730778 Ba\n0.319014 0.688916 0.230777 Ba\n0.680986 0.311084 0.769222 Ba\n0.688916 0.319014 0.269222 Ba\n0.974875 0.974874 0.750000 Y\n0.025126 0.025126 0.250000 Y\n0.931888 0.760500 0.066608 Cl\n0.888811 0.634640 0.454928 Cl\n0.390788 0.390788 0.250000 Cl\n0.239500 0.068112 0.566608 Cl\n0.634640 0.888811 0.045072 Cl\n0.365360 0.111189 0.954928 Cl\n0.111189 0.365360 0.545072 Cl\n0.609212 0.609212 0.750000 Cl\n0.690978 0.069513 0.647570 Cl\n0.068112 0.239500 0.933393 Cl\n0.309022 0.930487 0.352430 Cl\n0.069513 0.690978 0.852430 Cl\n0.760500 0.931888 0.433393 Cl\n0.930487 0.309022 0.147570 Cl\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Ba",
"Y",
"Cl"
],
"chemical_system": "Ba-Cl-Y",
"density": 3.8368813544115374,
"density_atomic": 0.03777190508484368,
"volume": 529.4940764855724,
"volume_molar": 15.943439300911612,
"formula_full": "Ba4 Y2 Cl14",
"formula_reduced": "Ba2YCl7",
"formula_anonymous": "AB2C7",
"energy_above_hull": 0.11992558625,
"spacegroup": 15
},
{
"id": "jvasp-56266",
"created_at": "2022-09-04T14:37:35.990047Z",
"updated_at": "2022-09-04T14:37:35.990056Z",
"structure_string": "Ba4 P14 Cl2\n1.0\n0.000000 6.388988 0.003754\n6.843810 0.000000 0.000000\n0.000000 -1.084783 -11.765948\nBa P Cl\n4 14 2\ndirect\n0.230796 0.250000 0.046427 Ba\n0.432614 0.250000 0.652508 Ba\n0.769205 0.750000 0.953573 Ba\n0.567387 0.750000 0.347493 Ba\n0.988936 0.750000 0.549350 P\n0.116688 0.502500 0.806779 P\n0.327426 0.750000 0.592361 P\n0.852881 0.574416 0.686778 P\n0.883313 0.497500 0.193222 P\n0.675837 0.250000 0.220997 P\n0.883313 0.002500 0.193222 P\n0.147120 0.074416 0.313222 P\n0.147120 0.425584 0.313222 P\n0.672575 0.250000 0.407639 P\n0.324164 0.750000 0.779004 P\n0.116688 0.997500 0.806779 P\n0.011064 0.250000 0.450650 P\n0.852881 0.925584 0.686778 P\n0.363509 0.750000 0.088768 Cl\n0.636491 0.250000 0.911233 Cl\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Ba",
"P",
"Cl"
],
"chemical_system": "Ba-Cl-P",
"density": 3.401677288989236,
"density_atomic": 0.0388773435140143,
"volume": 514.4384413196983,
"volume_molar": 15.490103529911119,
"formula_full": "Ba4 P14 Cl2",
"formula_reduced": "Ba2P7Cl",
"formula_anonymous": "AB2C7",
"energy_above_hull": 2.35994645075,
"spacegroup": 11
}
]
}