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=-density&page=4127",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-density&page=4125",
"results": [
{
"id": "jvasp-51220",
"created_at": "2022-09-04T14:37:09.542041Z",
"updated_at": "2022-09-04T14:37:09.542059Z",
"structure_string": "Sr1 Sc1 Be1\n1.0\n-0.000000 3.443240 3.443240\n3.443240 0.000000 3.443240\n3.443240 3.443240 0.000000\nSr Sc Be\n1 1 1\ndirect\n0.750000 0.750000 0.750000 Sr\n0.500000 0.500000 0.500000 Sc\n0.000000 0.000000 0.000000 Be\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Sr",
"Sc",
"Be"
],
"chemical_system": "Be-Sc-Sr",
"density": 2.8796781605001214,
"density_atomic": 0.036744248916909424,
"volume": 81.64542992248843,
"volume_molar": 16.389342380131374,
"formula_full": "Sr1 Sc1 Be1",
"formula_reduced": "SrScBe",
"formula_anonymous": "ABC",
"energy_above_hull": 1.5442358866666666,
"spacegroup": 216
},
{
"id": "jvasp-10081",
"created_at": "2022-09-04T14:38:04.888486Z",
"updated_at": "2022-09-04T14:38:04.888519Z",
"structure_string": "Sr4 Ca4 Si4\n1.0\n4.919385 -0.000000 0.000000\n0.000000 8.047715 0.000000\n0.000000 0.000000 9.076236\nSr Ca Si\n4 4 4\ndirect\n0.250000 0.521532 0.179981 Sr\n0.250000 0.021532 0.320019 Sr\n0.749999 0.978469 0.679981 Sr\n0.749999 0.478468 0.820019 Sr\n0.749999 0.351730 0.425657 Ca\n0.250000 0.148271 0.925658 Ca\n0.749999 0.851730 0.074343 Ca\n0.250000 0.648271 0.574343 Ca\n0.250000 0.767455 0.894598 Si\n0.250000 0.267455 0.605402 Si\n0.749999 0.232545 0.105402 Si\n0.749999 0.732546 0.394598 Si\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Sr",
"Ca",
"Si"
],
"chemical_system": "Ca-Si-Sr",
"density": 2.879661004327708,
"density_atomic": 0.033395816466706724,
"volume": 359.32644473487136,
"volume_molar": 18.0326202415313,
"formula_full": "Sr4 Ca4 Si4",
"formula_reduced": "SrCaSi",
"formula_anonymous": "ABC",
"energy_above_hull": 0.4493217766666664,
"spacegroup": 62
},
{
"id": "jvasp-94381",
"created_at": "2022-09-04T14:35:55.967322Z",
"updated_at": "2022-09-04T14:35:55.967348Z",
"structure_string": "Y2 Mg4\n1.0\n3.364753 -0.000000 -0.000000\n-1.682377 2.913961 -0.000000\n0.000000 0.000000 16.176163\nY Mg\n2 4\ndirect\n0.333332 0.666667 0.590420 Y\n0.666666 0.333333 0.409580 Y\n0.333332 0.666667 0.921474 Mg\n0.666666 0.333333 0.763854 Mg\n0.333332 0.666667 0.236146 Mg\n0.666666 0.333333 0.078526 Mg\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Y",
"Mg"
],
"chemical_system": "Mg-Y",
"density": 2.8795154448824034,
"density_atomic": 0.03783021521301395,
"volume": 158.6033800287751,
"volume_molar": 15.918864659084274,
"formula_full": "Y2 Mg4",
"formula_reduced": "YMg2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.7042117738095237,
"spacegroup": 164
},
{
"id": "jvasp-55239",
"created_at": "2022-09-04T14:38:11.147938Z",
"updated_at": "2022-09-04T14:38:11.147955Z",
"structure_string": "K14 Nb2 As8\n1.0\n8.234040 0.000000 0.000000\n0.000000 9.167959 0.000000\n0.000000 0.000000 10.180146\nK Nb As\n14 2 8\ndirect\n0.704731 0.833013 0.715549 K\n0.895044 0.089046 0.500000 K\n0.395044 0.910954 0.000000 K\n0.868568 0.038915 0.000000 K\n0.659833 0.341067 0.000000 K\n0.159833 0.658933 0.500000 K\n0.875595 0.464142 0.290446 K\n0.368568 0.961085 0.500000 K\n0.375595 0.535858 0.790447 K\n0.875595 0.464142 0.709554 K\n0.704731 0.833013 0.284451 K\n0.204731 0.166987 0.215549 K\n0.204731 0.166987 0.784451 K\n0.375595 0.535858 0.209554 K\n0.000225 0.677406 0.000000 Nb\n0.500225 0.322594 0.500000 Nb\n0.579589 0.588876 0.500000 As\n0.696162 0.683764 0.000000 As\n0.196162 0.316236 0.500000 As\n0.096269 0.811782 0.793313 As\n0.596269 0.188219 0.706688 As\n0.596269 0.188219 0.293313 As\n0.096269 0.811782 0.206687 As\n0.079589 0.411124 0.000000 As\n",
"nsites": 24,
"nelements": 3,
"elements": [
"K",
"Nb",
"As"
],
"chemical_system": "As-K-Nb",
"density": 2.879365537812796,
"density_atomic": 0.03122997239397428,
"volume": 768.492514089789,
"volume_molar": 19.283208720229137,
"formula_full": "K14 Nb2 As8",
"formula_reduced": "K7NbAs4",
"formula_anonymous": "AB4C7",
"energy_above_hull": 0.7951801999999998,
"spacegroup": 31
},
{
"id": "jvasp-92194",
"created_at": "2022-09-04T14:35:44.174341Z",
"updated_at": "2022-09-04T14:35:44.174369Z",
"structure_string": "Mg6 Zn1 Fe1\n1.0\n6.082481 -0.039688 0.000000\n-3.075612 5.327116 0.000000\n0.000000 0.000000 4.771826\nMg Zn Fe\n6 1 1\ndirect\n0.667619 0.335336 0.250000 Mg\n0.667619 0.832283 0.250000 Mg\n0.322435 0.153441 0.750001 Mg\n0.322436 0.668996 0.750001 Mg\n0.840894 0.170447 0.750001 Mg\n0.848319 0.674160 0.750001 Mg\n0.166859 0.333430 0.250000 Zn\n0.163820 0.831910 0.250000 Fe\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Mg",
"Zn",
"Fe"
],
"chemical_system": "Fe-Mg-Zn",
"density": 2.8792449636505295,
"density_atomic": 0.05193637495204996,
"volume": 154.03462423755926,
"volume_molar": 11.595227363403618,
"formula_full": "Mg6 Zn1 Fe1",
"formula_reduced": "Mg6ZnFe",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0,
"spacegroup": 38
},
{
"id": "jvasp-60626",
"created_at": "2022-09-04T14:36:03.763844Z",
"updated_at": "2022-09-04T14:36:03.763871Z",
"structure_string": "P8 O20\n1.0\n4.937585 -0.000000 0.000000\n0.000000 7.195652 0.000000\n0.000000 0.000000 9.217406\nP O\n8 20\ndirect\n0.250000 0.705645 0.241339 P\n0.749999 0.294355 0.758662 P\n0.749999 0.205645 0.258662 P\n0.250000 0.794355 0.741339 P\n0.250000 0.342408 0.404641 P\n0.749999 0.657592 0.595359 P\n0.749999 0.842408 0.095359 P\n0.250000 0.157592 0.904641 P\n0.250000 0.090416 0.054562 O\n0.998681 0.712978 0.133620 O\n0.498682 0.287022 0.866381 O\n0.501317 0.712978 0.133620 O\n0.501317 0.787021 0.633620 O\n0.001318 0.287022 0.866381 O\n0.749999 0.909584 0.945438 O\n0.001318 0.212978 0.366380 O\n0.749999 0.590415 0.445438 O\n0.749999 0.161368 0.640165 O\n0.250000 0.661367 0.859836 O\n0.749999 0.338632 0.140165 O\n0.998681 0.787021 0.633620 O\n0.250000 0.838632 0.359836 O\n0.250000 0.010424 0.776867 O\n0.749999 -0.010424 0.223134 O\n0.749999 0.510424 0.723134 O\n0.250000 0.489576 0.276867 O\n0.250000 0.409584 0.554562 O\n0.498682 0.212978 0.366380 O\n",
"nsites": 28,
"nelements": 2,
"elements": [
"P",
"O"
],
"chemical_system": "O-P",
"density": 2.87895102920205,
"density_atomic": 0.08549969734299258,
"volume": 327.4865393695436,
"volume_molar": 7.043464418173833,
"formula_full": "P8 O20",
"formula_reduced": "P2O5",
"formula_anonymous": "A2B5",
"energy_above_hull": 2.647491214285714,
"spacegroup": 62
},
{
"id": "jvasp-90156",
"created_at": "2022-09-04T14:35:57.772860Z",
"updated_at": "2022-09-04T14:35:57.772879Z",
"structure_string": "Pd1 N2 Cl6\n1.0\n-4.643423 -4.643423 -0.000000\n-4.643423 -0.000000 -4.643423\n-0.000000 -4.643423 -4.643423\nPd N Cl\n1 2 6\ndirect\n0.000000 0.000000 0.000000 Pd\n0.250000 0.250000 0.250000 N\n0.749999 0.749999 0.749999 N\n0.750162 0.249837 0.249837 Cl\n0.750162 0.249837 0.750162 Cl\n0.750162 0.750162 0.249837 Cl\n0.249837 0.750162 0.750162 Cl\n0.249837 0.750162 0.249837 Cl\n0.249837 0.249837 0.750162 Cl\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Pd",
"N",
"Cl"
],
"chemical_system": "Cl-N-Pd",
"density": 2.8788781145777977,
"density_atomic": 0.04494669564511618,
"volume": 200.23718920431747,
"volume_molar": 13.398405986390582,
"formula_full": "Pd1 N2 Cl6",
"formula_reduced": "Pd(NCl3)2",
"formula_anonymous": "AB2C6",
"energy_above_hull": 1.773270733888889,
"spacegroup": 225
},
{
"id": "jvasp-43948",
"created_at": "2022-09-04T14:37:20.047811Z",
"updated_at": "2022-09-04T14:37:20.047837Z",
"structure_string": "Li4 Mn2 F8\n1.0\n0.000000 5.745849 0.038219\n5.377519 0.000000 0.000000\n0.000000 -2.774867 -5.425313\nLi Mn F\n4 2 8\ndirect\n0.445124 0.720058 0.542612 Li\n0.054875 0.220058 0.457387 Li\n0.945124 0.779942 0.542612 Li\n0.554875 0.279942 0.457387 Li\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 -0.000000 Mn\n0.138014 0.892487 0.385055 F\n0.644782 0.804515 0.871822 F\n0.361985 0.392487 0.614944 F\n0.855217 0.304515 0.128177 F\n0.144782 0.695485 0.871822 F\n0.638014 0.607513 0.385055 F\n0.355217 0.195485 0.128178 F\n0.861985 0.107513 0.614944 F\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Li",
"Mn",
"F"
],
"chemical_system": "F-Li-Mn",
"density": 2.8787746665294334,
"density_atomic": 0.08380059290862947,
"volume": 167.06325712115972,
"volume_molar": 7.1862746443406875,
"formula_full": "Li4 Mn2 F8",
"formula_reduced": "Li2MnF4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 0.4224483387684726,
"spacegroup": 14
},
{
"id": "jvasp-2862",
"created_at": "2022-09-04T14:36:31.206559Z",
"updated_at": "2022-09-04T14:36:31.206599Z",
"structure_string": "K2 Li2 Se2\n1.0\n4.475019 0.000000 0.000000\n0.000000 4.475019 0.000000\n0.000000 0.000000 7.201205\nK Li Se\n2 2 2\ndirect\n0.500000 0.000000 0.659098 K\n0.000000 0.500000 0.340901 K\n0.500000 0.500000 0.000000 Li\n0.000000 0.000000 0.000000 Li\n0.500000 0.000000 0.193083 Se\n0.000000 0.500000 0.806916 Se\n",
"nsites": 6,
"nelements": 3,
"elements": [
"K",
"Li",
"Se"
],
"chemical_system": "K-Li-Se",
"density": 2.878669010605908,
"density_atomic": 0.0416060329681276,
"volume": 144.20985544563487,
"volume_molar": 14.474200807881095,
"formula_full": "K2 Li2 Se2",
"formula_reduced": "KLiSe",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0,
"spacegroup": 129
},
{
"id": "jvasp-86995",
"created_at": "2022-09-04T14:36:18.094567Z",
"updated_at": "2022-09-04T14:36:18.094593Z",
"structure_string": "Rb2 N6\n1.0\n-3.153323 -3.153323 3.698080\n-3.153323 3.153323 -3.698080\n3.153323 -3.153323 -3.698080\nRb N\n2 6\ndirect\n0.000000 0.750000 0.750000 Rb\n0.000000 0.250000 0.250000 Rb\n0.500000 0.000000 0.500000 N\n0.500000 0.500000 0.000000 N\n0.233722 0.866861 0.366861 N\n0.766277 0.133139 0.633138 N\n0.500000 0.633139 0.866861 N\n0.500000 0.366861 0.133139 N\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Rb",
"N"
],
"chemical_system": "N-Rb",
"density": 2.8785571102734875,
"density_atomic": 0.054389714191719896,
"volume": 147.08663428163212,
"volume_molar": 11.072205194482876,
"formula_full": "Rb2 N6",
"formula_reduced": "RbN3",
"formula_anonymous": "AB3",
"energy_above_hull": 3.5729974375000007,
"spacegroup": 140
},
{
"id": "jvasp-87116",
"created_at": "2022-09-04T14:36:20.297537Z",
"updated_at": "2022-09-04T14:36:20.297560Z",
"structure_string": "Ca2 Al2 F10\n1.0\n5.097780 0.005467 1.853332\n1.122473 4.972670 1.853332\n0.002884 0.002308 7.379521\nCa Al F\n2 2 10\ndirect\n0.455607 0.544393 0.250000 Ca\n0.544391 0.455608 0.750000 Ca\n-0.000000 0.000000 0.500000 Al\n0.000000 0.000000 0.000000 Al\n0.798625 0.755854 0.614881 F\n0.244146 0.201375 0.885119 F\n0.201373 0.244147 0.385120 F\n0.755853 0.798627 0.114881 F\n0.939111 0.060889 0.750000 F\n0.060887 0.939112 0.250000 F\n0.729876 0.298454 0.027060 F\n0.701546 0.270125 0.472940 F\n0.270123 0.701547 0.972940 F\n0.298453 0.729876 0.527060 F\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Ca",
"Al",
"F"
],
"chemical_system": "Al-Ca-F",
"density": 2.8783240739803517,
"density_atomic": 0.07487475786719504,
"volume": 186.9789018193785,
"volume_molar": 8.042951899332268,
"formula_full": "Ca2 Al2 F10",
"formula_reduced": "CaAlF5",
"formula_anonymous": "ABC5",
"energy_above_hull": 0.0,
"spacegroup": 15
},
{
"id": "jvasp-63256",
"created_at": "2022-09-04T14:35:56.151020Z",
"updated_at": "2022-09-04T14:35:56.151036Z",
"structure_string": "K6 Nd2 As4 S16\n1.0\n9.367124 5.216743 -0.050177\n-9.367124 5.216743 -0.050177\n0.000000 3.941889 7.847411\nK Nd As S\n6 2 4 16\ndirect\n0.263587 0.736413 0.750000 K\n0.736413 0.263587 0.250000 K\n0.003279 0.996721 0.750000 K\n0.996721 0.003279 0.250000 K\n0.500000 0.500000 -0.000000 K\n0.500000 0.500000 0.500000 K\n0.243045 0.756954 0.250000 Nd\n0.756955 0.243045 0.750000 Nd\n0.339821 0.098875 0.893093 As\n0.660179 0.901125 0.106906 As\n0.901125 0.660179 0.606906 As\n0.098875 0.339821 0.393094 As\n0.529805 0.871465 0.936824 S\n0.490894 0.140680 0.645209 S\n0.859320 0.509106 0.854790 S\n0.871465 0.529805 0.436824 S\n0.470194 0.128535 0.063175 S\n0.128535 0.470194 0.563175 S\n0.153471 0.871484 0.486879 S\n0.751562 0.737893 0.629074 S\n0.846529 0.128516 0.513121 S\n0.871484 0.153471 0.986879 S\n0.248438 0.262107 0.370925 S\n0.737892 0.751562 0.129074 S\n0.140680 0.490894 0.145209 S\n0.262107 0.248438 0.870925 S\n0.128516 0.846529 0.013121 S\n0.509106 0.859320 0.354790 S\n",
"nsites": 28,
"nelements": 4,
"elements": [
"K",
"Nd",
"As",
"S"
],
"chemical_system": "As-K-Nd-S",
"density": 2.878294637342492,
"density_atomic": 0.03633311874806969,
"volume": 770.6467532872496,
"volume_molar": 16.574797230474317,
"formula_full": "K6 Nd2 As4 S16",
"formula_reduced": "K3Nd(AsS4)2",
"formula_anonymous": "AB2C3D8",
"energy_above_hull": 1.5751577857142858,
"spacegroup": 15
}
]
}