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=499",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-volume&page=497",
"results": [
{
"id": "jvasp-120491",
"created_at": "2022-09-04T14:38:52.182600Z",
"updated_at": "2022-09-04T14:38:52.182625Z",
"structure_string": "Zr10 Al2 Ni8\n1.0\n7.165628 -0.000000 0.000000\n0.000000 7.165628 0.000000\n0.000000 -0.000000 6.622876\nZr Al Ni\n10 2 8\ndirect\n0.316658 0.816658 0.250000 Zr\n0.000000 0.000000 0.000000 Zr\n0.341311 0.841311 0.750000 Zr\n0.658690 0.158690 0.750000 Zr\n0.158690 0.341311 0.250000 Zr\n0.500000 0.500000 0.500000 Zr\n0.816658 0.683342 0.750000 Zr\n0.183342 0.316658 0.750000 Zr\n0.683342 0.183342 0.250000 Zr\n0.841311 0.658690 0.250000 Zr\n0.000000 0.000000 0.500000 Al\n0.500000 0.500000 -0.000000 Al\n0.625528 0.874410 0.030525 Ni\n0.125590 0.625528 0.969476 Ni\n0.874410 0.374472 0.969476 Ni\n0.374410 0.125528 0.469475 Ni\n0.625590 0.874472 0.469475 Ni\n0.874472 0.374410 0.530525 Ni\n0.125528 0.625590 0.530525 Ni\n0.374472 0.125590 0.030525 Ni\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Zr",
"Al",
"Ni"
],
"chemical_system": "Al-Ni-Zr",
"density": 7.010885364102888,
"density_atomic": 0.05881320616810947,
"volume": 340.05967882167056,
"volume_molar": 10.239436263322455,
"formula_full": "Zr10 Al2 Ni8",
"formula_reduced": "Zr5AlNi4",
"formula_anonymous": "AB4C5",
"energy_above_hull": 3.23392949,
"spacegroup": 118
},
{
"id": "jvasp-57442",
"created_at": "2022-09-04T14:37:31.532243Z",
"updated_at": "2022-09-04T14:37:31.532259Z",
"structure_string": "Nd4 Cu2 Ge4 O16\n1.0\n5.199462 0.013888 -0.000125\n-0.122966 8.442519 -0.000252\n-2.538125 -4.227915 7.746059\nNd Cu Ge O\n4 2 4 16\ndirect\n0.348949 0.638482 0.758468 Nd\n0.580697 0.377074 0.240087 Nd\n0.340626 0.136988 0.759917 Nd\n0.590475 0.880014 0.241532 Nd\n0.771108 0.760866 0.586692 Cu\n0.184400 0.174165 0.413301 Cu\n0.772186 0.305839 0.578872 Ge\n0.922280 0.504000 0.000004 Ge\n0.004793 0.000819 -0.000003 Ge\n0.193315 0.726970 0.421132 Ge\n0.223103 0.838042 -0.000003 O\n0.891375 0.089876 0.187451 O\n0.825086 0.677385 0.343456 O\n0.386038 0.929842 0.466568 O\n0.229163 0.595885 0.184934 O\n0.147530 0.837358 0.651772 O\n0.481631 0.333930 0.656546 O\n0.716149 0.669973 0.000002 O\n0.044229 0.410953 0.815070 O\n0.495751 0.185588 0.348230 O\n0.213793 0.170932 0.000000 O\n0.919473 0.463272 0.533433 O\n0.716639 0.333971 0.000004 O\n0.938673 0.108614 0.517266 O\n0.703926 0.902429 0.812542 O\n0.421413 0.591353 0.482739 O\n",
"nsites": 26,
"nelements": 4,
"elements": [
"Nd",
"Cu",
"Ge",
"O"
],
"chemical_system": "Cu-Ge-Nd-O",
"density": 6.107360418570125,
"density_atomic": 0.07646378018767408,
"volume": 340.03027232220444,
"volume_molar": 7.875808317636335,
"formula_full": "Nd4 Cu2 Ge4 O16",
"formula_reduced": "Nd2Cu(GeO4)2",
"formula_anonymous": "AB2C2D8",
"energy_above_hull": 2.0581056423076927,
"spacegroup": 8
},
{
"id": "jvasp-28712",
"created_at": "2022-09-04T14:37:00.525025Z",
"updated_at": "2022-09-04T14:37:00.525047Z",
"structure_string": "Te2 Mo3 W1 Se4 S2\n1.0\n3.347932 0.000023 -0.000378\n-1.673946 2.899381 0.001186\n-0.004002 0.012110 35.024152\nTe Mo W Se S\n2 3 1 4 2\ndirect\n0.333241 0.666289 0.718703 Te\n0.333444 0.667346 0.610246 Te\n0.333354 0.666525 0.096544 Mo\n0.666748 0.333470 0.277088 Mo\n0.666677 0.333495 0.664533 Mo\n0.333213 0.666512 0.464791 W\n0.333317 0.666348 0.324635 Se\n0.666590 0.333529 0.416951 Se\n0.666461 0.332716 0.512622 Se\n0.333482 0.667213 0.229509 Se\n0.666761 0.333593 0.053224 S\n0.666701 0.332956 0.139905 S\n",
"nsites": 12,
"nelements": 5,
"elements": [
"Te",
"Mo",
"W",
"Se",
"S"
],
"chemical_system": "Mo-S-Se-Te-W",
"density": 5.406034439259992,
"density_atomic": 0.03529636929741547,
"volume": 339.9783104852851,
"volume_molar": 17.061643675744758,
"formula_full": "Te2 Mo3 W1 Se4 S2",
"formula_reduced": "Te2Mo3W(Se2S)2",
"formula_anonymous": "AB2C2D3E4",
"energy_above_hull": 3.724024725000001,
"spacegroup": 156
},
{
"id": "jvasp-43004",
"created_at": "2022-09-04T14:37:29.495308Z",
"updated_at": "2022-09-04T14:37:29.495331Z",
"structure_string": "Hg4 W4 O14\n1.0\n0.000000 6.196059 -0.052871\n3.884575 0.000000 0.000000\n0.000000 -3.735558 -14.092529\nHg W O\n4 4 14\ndirect\n0.649753 0.659900 0.562409 Hg\n0.649753 0.340102 0.062409 Hg\n0.350247 0.659900 0.937591 Hg\n0.350247 0.340102 0.437591 Hg\n0.190627 0.992076 0.185581 W\n0.809373 0.992076 0.314419 W\n0.190627 0.007926 0.685581 W\n0.809373 0.007926 0.814419 W\n0.500000 0.960611 0.750000 O\n0.131525 0.033355 0.331328 O\n0.205010 0.969490 0.567593 O\n0.868475 0.033355 0.168672 O\n0.191345 0.474261 0.699060 O\n0.808655 0.525740 0.300940 O\n0.500000 0.039391 0.250000 O\n0.794990 0.030511 0.432407 O\n0.868475 0.966646 0.668672 O\n0.191345 0.525740 0.199060 O\n0.808654 0.474261 0.800940 O\n0.205010 0.030511 0.067593 O\n0.131525 0.966646 0.831328 O\n0.794989 0.969490 0.932407 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Hg",
"W",
"O"
],
"chemical_system": "Hg-O-W",
"density": 8.605075962042447,
"density_atomic": 0.06471328971552698,
"volume": 339.96108213181185,
"volume_molar": 9.305879497816782,
"formula_full": "Hg4 W4 O14",
"formula_reduced": "Hg2W2O7",
"formula_anonymous": "A2B2C7",
"energy_above_hull": 3.066688518181818,
"spacegroup": 13
},
{
"id": "jvasp-43499",
"created_at": "2022-09-04T14:37:10.631487Z",
"updated_at": "2022-09-04T14:37:10.631503Z",
"structure_string": "Hf12 N16\n1.0\n3.240215 0.000000 0.000000\n0.000000 9.793225 0.000000\n0.000000 0.000000 10.711382\nHf N\n12 16\ndirect\n0.752979 0.069681 0.124514 Hf\n0.252979 0.930319 0.875486 Hf\n0.253025 0.893410 0.406741 Hf\n0.752982 0.727590 0.646641 Hf\n0.753024 0.606589 0.906741 Hf\n0.752979 0.569681 0.375486 Hf\n0.252983 0.772409 0.146642 Hf\n0.253025 0.393410 0.093259 Hf\n0.252983 0.272409 0.353358 Hf\n0.752982 0.227590 0.853358 Hf\n0.753024 0.106590 0.593259 Hf\n0.252979 0.430319 0.624514 Hf\n0.752987 0.507947 0.724921 N\n0.753007 0.858243 0.017767 N\n0.752986 0.761871 0.285489 N\n0.252986 0.738128 0.785489 N\n0.253008 0.641757 0.517767 N\n0.253028 0.603184 0.029988 N\n0.252988 0.492052 0.275079 N\n0.253028 0.103184 0.470012 N\n0.753007 0.358243 0.482233 N\n0.752986 0.261871 0.214511 N\n0.252986 0.238128 0.714511 N\n0.253008 0.141757 0.982233 N\n0.753027 0.896815 0.529988 N\n0.752987 0.007948 0.775078 N\n0.753027 0.396816 0.970012 N\n0.252988 0.992052 0.224921 N\n",
"nsites": 28,
"nelements": 2,
"elements": [
"Hf",
"N"
],
"chemical_system": "Hf-N",
"density": 11.558897688171951,
"density_atomic": 0.08237832605834199,
"volume": 339.89522899712523,
"volume_molar": 7.310346116689721,
"formula_full": "Hf12 N16",
"formula_reduced": "Hf3N4",
"formula_anonymous": "A3B4",
"energy_above_hull": 5.775003142857143,
"spacegroup": 62
},
{
"id": "jvasp-35192",
"created_at": "2022-09-04T14:37:36.306821Z",
"updated_at": "2022-09-04T14:37:36.306856Z",
"structure_string": "Rb8 N3 O1\n1.0\n6.978809 -0.000000 0.000000\n0.000000 6.978809 0.000000\n-0.000000 -0.000000 6.978809\nRb N O\n8 3 1\ndirect\n0.252578 0.747422 0.252578 Rb\n0.747422 0.252578 0.252578 Rb\n0.747422 0.747422 0.747422 Rb\n0.252578 0.252578 0.747422 Rb\n0.252578 0.747422 0.747422 Rb\n0.747422 0.252578 0.747422 Rb\n0.747422 0.747422 0.252578 Rb\n0.252578 0.252578 0.252578 Rb\n0.000000 0.500000 0.000000 N\n0.500000 0.000000 0.000000 N\n0.000000 0.000000 0.500000 N\n0.500000 0.500000 0.500000 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Rb",
"N",
"O"
],
"chemical_system": "N-O-Rb",
"density": 3.6238455739314617,
"density_atomic": 0.03530508883714828,
"volume": 339.89434371210274,
"volume_molar": 17.057429844684197,
"formula_full": "Rb8 N3 O1",
"formula_reduced": "Rb8N3O",
"formula_anonymous": "AB3C8",
"energy_above_hull": 1.0673111041666663,
"spacegroup": 221
},
{
"id": "jvasp-106410",
"created_at": "2022-09-04T14:38:48.519191Z",
"updated_at": "2022-09-04T14:38:48.519211Z",
"structure_string": "K3 Gd1 Cl6\n1.0\n6.783862 -0.000000 3.916665\n2.261287 6.395886 3.916665\n-0.000000 -0.000000 7.833329\nK Gd Cl\n3 1 6\ndirect\n0.750000 0.750000 0.749999 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.499999 K\n0.000000 0.000000 0.000000 Gd\n0.761529 0.238471 0.238470 Cl\n0.238470 0.238471 0.761529 Cl\n0.238470 0.761530 0.761529 Cl\n0.238470 0.761530 0.238470 Cl\n0.761529 0.238471 0.761529 Cl\n0.761530 0.761530 0.238469 Cl\n",
"nsites": 10,
"nelements": 3,
"elements": [
"K",
"Gd",
"Cl"
],
"chemical_system": "Cl-Gd-K",
"density": 2.3806105656115,
"density_atomic": 0.029422252188315616,
"volume": 339.87880791706607,
"volume_molar": 20.46798022617574,
"formula_full": "K3 Gd1 Cl6",
"formula_reduced": "K3GdCl6",
"formula_anonymous": "AB3C6",
"energy_above_hull": 0.3004361905000007,
"spacegroup": 225
},
{
"id": "jvasp-20825",
"created_at": "2022-09-04T14:38:29.246056Z",
"updated_at": "2022-09-04T14:38:29.246092Z",
"structure_string": "Hf6 Sn6 Rh6\n1.0\n3.683195 -6.379481 -0.000000\n3.683195 6.379481 0.000000\n0.000000 -0.000000 7.232182\nHf Sn Rh\n6 6 6\ndirect\n0.594244 0.612468 0.750000 Hf\n0.387534 0.981778 0.750000 Hf\n0.018224 0.405757 0.750000 Hf\n0.612468 0.594244 0.250000 Hf\n0.405757 0.018224 0.250000 Hf\n0.981778 0.387534 0.250000 Hf\n0.728549 0.000001 0.000000 Sn\n0.000001 0.728549 0.000000 Sn\n0.000001 0.728549 0.500000 Sn\n0.271451 0.271451 0.000000 Sn\n0.271451 0.271451 0.500000 Sn\n0.728549 0.000001 0.500000 Sn\n0.333334 0.666668 0.463290 Rh\n0.666668 0.333334 0.536709 Rh\n0.333334 0.666668 0.036709 Rh\n0.000000 0.000000 0.750000 Rh\n0.000000 0.000000 0.250000 Rh\n0.666668 0.333334 0.963290 Rh\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Hf",
"Sn",
"Rh"
],
"chemical_system": "Hf-Rh-Sn",
"density": 11.729120987740131,
"density_atomic": 0.052961844516247136,
"volume": 339.86731701684084,
"volume_molar": 11.370715682216439,
"formula_full": "Hf6 Sn6 Rh6",
"formula_reduced": "HfSnRh",
"formula_anonymous": "ABC",
"energy_above_hull": 2.3673192333333333,
"spacegroup": 190
},
{
"id": "jvasp-29394",
"created_at": "2022-09-04T14:38:06.704570Z",
"updated_at": "2022-09-04T14:38:06.704591Z",
"structure_string": "Tc2 Xe2 O8 F10\n1.0\n5.243437 0.000000 -0.000000\n-0.000000 7.169388 -3.493107\n0.000000 -0.024991 9.052624\nTc Xe O F\n2 2 8 10\ndirect\n0.095550 0.597582 0.195163 Tc\n0.595551 0.402418 0.804836 Tc\n0.450495 0.122753 0.245506 Xe\n0.950496 0.877247 0.754493 Xe\n0.574110 0.366729 0.351918 O\n0.309720 0.358482 0.716965 O\n0.074110 0.014811 0.648081 O\n0.574110 0.985190 0.351918 O\n0.809720 0.641518 0.283034 O\n0.074110 0.633271 0.648081 O\n0.290392 0.677996 0.355992 O\n0.790392 0.322004 0.644007 O\n0.758479 0.038371 0.076744 F\n0.114835 0.800388 0.143977 F\n0.258478 0.961629 0.923255 F\n0.118825 0.190706 0.381412 F\n0.614835 0.199612 0.856022 F\n0.417621 0.519209 0.038417 F\n0.614835 0.656411 0.856022 F\n0.114835 0.343590 0.143977 F\n0.917621 0.480791 0.961582 F\n0.618825 0.809294 0.618588 F\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Tc",
"Xe",
"O",
"F"
],
"chemical_system": "F-O-Tc-Xe",
"density": 3.7943637321614814,
"density_atomic": 0.06473432162972012,
"volume": 339.8506301779116,
"volume_molar": 9.302856055936763,
"formula_full": "Tc2 Xe2 O8 F10",
"formula_reduced": "TcXeO4F5",
"formula_anonymous": "ABC4D5",
"energy_above_hull": 1.314384705681818,
"spacegroup": 36
},
{
"id": "jvasp-19061",
"created_at": "2022-09-04T14:37:07.748694Z",
"updated_at": "2022-09-04T14:37:07.748723Z",
"structure_string": "Nb4 Sb4 O16\n1.0\n5.033763 0.000000 0.000000\n0.000000 5.660241 0.000000\n0.000000 0.000000 11.926618\nNb Sb O\n4 4 16\ndirect\n0.750000 0.136774 0.250000 Nb\n0.750000 0.363226 0.750000 Nb\n0.250000 0.863226 0.750000 Nb\n0.250000 0.636774 0.250000 Nb\n0.802009 0.750000 0.000000 Sb\n0.697990 0.750000 0.500000 Sb\n0.197990 0.250000 0.000000 Sb\n0.302009 0.250000 0.500000 Sb\n0.919630 0.077835 0.095138 O\n0.919630 0.422165 0.904862 O\n0.419630 0.922165 0.595139 O\n0.419630 0.577835 0.404862 O\n0.080370 0.922165 0.904862 O\n0.080370 0.577835 0.095138 O\n0.009310 0.347683 0.304320 O\n0.990689 0.652316 0.695680 O\n0.490690 0.347683 0.195680 O\n0.490690 0.152317 0.804320 O\n0.580369 0.422165 0.595139 O\n0.990689 0.847683 0.304320 O\n0.509310 0.652316 0.804320 O\n0.509310 0.847683 0.195680 O\n0.009310 0.152317 0.695680 O\n0.580369 0.077835 0.404862 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Nb",
"Sb",
"O"
],
"chemical_system": "Nb-O-Sb",
"density": 5.44684388595526,
"density_atomic": 0.07062626592135127,
"volume": 339.8169177841877,
"volume_molar": 8.52677213135719,
"formula_full": "Nb4 Sb4 O16",
"formula_reduced": "NbSbO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.724229916666667,
"spacegroup": 52
},
{
"id": "jvasp-15985",
"created_at": "2022-09-04T14:35:43.318462Z",
"updated_at": "2022-09-04T14:35:43.318492Z",
"structure_string": "Rb6 As2\n1.0\n3.028910 -5.246226 0.000000\n3.028910 5.246226 -0.000000\n-0.000000 -0.000000 10.691612\nRb As\n6 2\ndirect\n0.333333 0.666667 0.580342 Rb\n0.666667 0.333333 0.080342 Rb\n0.666667 0.333333 0.419658 Rb\n0.333333 0.666667 0.919658 Rb\n0.000000 0.000000 0.750000 Rb\n0.000000 0.000000 0.250000 Rb\n0.666667 0.333333 0.750000 As\n0.333333 0.666667 0.250000 As\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Rb",
"As"
],
"chemical_system": "As-Rb",
"density": 3.238372104779985,
"density_atomic": 0.02354417282726265,
"volume": 339.786836373224,
"volume_molar": 25.578051962933035,
"formula_full": "Rb6 As2",
"formula_reduced": "Rb3As",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 194
},
{
"id": "jvasp-110352",
"created_at": "2022-09-04T14:38:39.154758Z",
"updated_at": "2022-09-04T14:38:39.154780Z",
"structure_string": "K2 In1 Sb1 Cl6\n1.0\n6.783217 -0.000000 3.916292\n2.261073 6.395279 3.916292\n0.000000 0.000000 7.832585\nK In Sb Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.749999 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.499999 In\n0.000000 0.000000 0.000000 Sb\n0.760012 0.239988 0.239988 Cl\n0.239988 0.239988 0.760011 Cl\n0.239988 0.760012 0.760011 Cl\n0.239988 0.760012 0.239988 Cl\n0.760012 0.239988 0.760011 Cl\n0.760012 0.760012 0.239988 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"In",
"Sb",
"Cl"
],
"chemical_system": "Cl-In-K-Sb",
"density": 2.5778945355414087,
"density_atomic": 0.02943063800862818,
"volume": 339.7819645319378,
"volume_molar": 20.46214818120656,
"formula_full": "K2 In1 Sb1 Cl6",
"formula_reduced": "K2InSbCl6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
}
]
}