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=195",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_anonymous&page=193",
"results": [
{
"id": "jvasp-86218",
"created_at": "2022-09-04T14:35:44.281708Z",
"updated_at": "2022-09-04T14:35:44.281732Z",
"structure_string": "B2 H12 N2\n1.0\n4.726544 0.000000 0.000000\n0.000000 4.974545 0.000000\n0.000000 0.000000 5.362388\nB H N\n2 12 2\ndirect\n0.175511 0.991646 0.000000 B\n0.824488 0.491646 0.500000 B\n0.722403 0.391544 0.312213 H\n0.842793 0.898614 0.344450 H\n0.722403 0.391544 0.687787 H\n0.277596 0.891543 0.812213 H\n0.277596 0.891543 0.187787 H\n0.083331 0.464991 0.500000 H\n0.916668 0.964990 0.000000 H\n0.157206 0.398614 0.155550 H\n0.455263 0.346239 0.000000 H\n0.544736 0.846238 0.500000 H\n0.842793 0.898614 0.655550 H\n0.157206 0.398614 0.844450 H\n0.758381 0.805804 0.500000 N\n0.241618 0.305805 0.000000 N\n",
"nsites": 16,
"nelements": 3,
"elements": [
"B",
"H",
"N"
],
"chemical_system": "B-H-N",
"density": 0.8130080671220572,
"density_atomic": 0.12690089325869147,
"volume": 126.08264283359688,
"volume_molar": 4.7455463908545354,
"formula_full": "B2 H12 N2",
"formula_reduced": "BH6N",
"formula_anonymous": "ABC6",
"energy_above_hull": 3.615303229166667,
"spacegroup": 31
},
{
"id": "jvasp-92934",
"created_at": "2022-09-04T14:35:41.878199Z",
"updated_at": "2022-09-04T14:35:41.878225Z",
"structure_string": "Rb1 Mg6 Cd1\n1.0\n8.921472 1.561687 0.000000\n-3.108274 5.383687 0.000000\n0.000000 0.000000 4.973431\nRb Mg Cd\n1 6 1\ndirect\n0.080827 0.290414 0.250000 Rb\n0.639756 0.327000 0.250000 Mg\n0.639756 0.812757 0.250000 Mg\n0.399919 0.204174 0.750000 Mg\n0.399919 0.695747 0.750000 Mg\n0.731182 0.115592 0.750000 Mg\n0.763240 0.631621 0.750000 Mg\n0.345404 0.922702 0.250000 Cd\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Rb",
"Mg",
"Cd"
],
"chemical_system": "Cd-Mg-Rb",
"density": 2.169974969736044,
"density_atomic": 0.030416200499825866,
"volume": 263.0177296485733,
"volume_molar": 19.799122378991672,
"formula_full": "Rb1 Mg6 Cd1",
"formula_reduced": "RbMg6Cd",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0,
"spacegroup": 38
},
{
"id": "jvasp-93190",
"created_at": "2022-09-04T14:35:41.879867Z",
"updated_at": "2022-09-04T14:35:41.879884Z",
"structure_string": "K1 Mg6 Cr1\n1.0\n7.623576 -2.042595 0.000000\n-5.580727 9.666102 0.000000\n0.000000 0.000000 3.121073\nK Mg Cr\n1 6 1\ndirect\n0.249971 0.374985 0.250000 K\n0.750085 0.375062 0.250000 Mg\n0.750085 0.875021 0.250000 Mg\n0.250070 0.074857 0.749999 Mg\n0.250069 0.675212 0.749999 Mg\n0.649567 0.074784 0.749999 Mg\n0.850270 0.675136 0.749999 Mg\n0.249882 0.874941 0.250000 Cr\n",
"nsites": 8,
"nelements": 3,
"elements": [
"K",
"Mg",
"Cr"
],
"chemical_system": "Cr-K-Mg",
"density": 2.023620046428491,
"density_atomic": 0.04114907461979099,
"volume": 194.41506458938287,
"volume_molar": 14.63493606027194,
"formula_full": "K1 Mg6 Cr1",
"formula_reduced": "KMg6Cr",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0,
"spacegroup": 123
},
{
"id": "jvasp-92891",
"created_at": "2022-09-04T14:35:43.178587Z",
"updated_at": "2022-09-04T14:35:43.178613Z",
"structure_string": "Mg6 Cr1 Ga1\n1.0\n6.193614 0.009195 0.000000\n-3.088844 5.368424 0.000000\n0.000000 0.000000 4.890712\nMg Cr Ga\n6 1 1\ndirect\n0.169544 0.839121 0.250000 Mg\n0.660878 0.330455 0.250000 Mg\n0.665986 0.834012 0.250000 Mg\n0.330556 0.655865 0.750000 Mg\n0.844134 0.169443 0.750000 Mg\n0.832553 0.667445 0.750000 Mg\n0.171785 0.328215 0.250000 Cr\n0.324561 0.175438 0.750000 Ga\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Mg",
"Cr",
"Ga"
],
"chemical_system": "Cr-Ga-Mg",
"density": 2.729724037872506,
"density_atomic": 0.049153691483782805,
"volume": 162.75481573219025,
"volume_molar": 12.251655121338901,
"formula_full": "Mg6 Cr1 Ga1",
"formula_reduced": "Mg6CrGa",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0,
"spacegroup": 38
},
{
"id": "jvasp-94081",
"created_at": "2022-09-04T14:35:43.504591Z",
"updated_at": "2022-09-04T14:35:43.504619Z",
"structure_string": "Mg6 V1 Sn1\n1.0\n6.254189 0.034223 0.000000\n-3.097457 5.433398 0.000000\n0.000000 0.000000 5.016328\nMg V Sn\n6 1 1\ndirect\n0.164079 0.825920 0.250000 Mg\n0.674080 0.335920 0.250000 Mg\n0.665253 0.834747 0.250000 Mg\n0.328686 0.658412 0.750000 Mg\n0.841588 0.171314 0.750000 Mg\n0.830924 0.669075 0.750000 Mg\n0.168121 0.331879 0.250000 V\n0.327267 0.172733 0.750000 Sn\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Mg",
"V",
"Sn"
],
"chemical_system": "Mg-Sn-V",
"density": 3.063669329545871,
"density_atomic": 0.04678524211656388,
"volume": 170.99409211281338,
"volume_molar": 12.871881147897101,
"formula_full": "Mg6 V1 Sn1",
"formula_reduced": "Mg6VSn",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0,
"spacegroup": 38
},
{
"id": "jvasp-22617",
"created_at": "2022-09-04T14:35:44.347871Z",
"updated_at": "2022-09-04T14:35:44.347895Z",
"structure_string": "Ni1 Sn1 F6\n1.0\n4.532258 0.050305 3.120119\n1.666576 4.215023 3.120120\n0.073108 0.050304 5.501924\nNi Sn F\n1 1 6\ndirect\n0.500001 0.500000 0.499999 Ni\n0.000000 0.000000 0.000000 Sn\n0.253571 0.890938 0.605062 F\n0.890939 0.605063 0.253569 F\n0.394938 0.746430 0.109061 F\n0.109062 0.394936 0.746430 F\n0.746431 0.109062 0.394936 F\n0.605064 0.253569 0.890938 F\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ni",
"Sn",
"F"
],
"chemical_system": "F-Ni-Sn",
"density": 4.686610960624407,
"density_atomic": 0.0774853247868544,
"volume": 103.24535674343876,
"volume_molar": 7.771975889067544,
"formula_full": "Ni1 Sn1 F6",
"formula_reduced": "NiSnF6",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0147337499999999,
"spacegroup": 148
},
{
"id": "jvasp-93080",
"created_at": "2022-09-04T14:35:40.896316Z",
"updated_at": "2022-09-04T14:35:40.896332Z",
"structure_string": "Mg6 Si1 Mo1\n1.0\n6.054066 0.203876 0.000000\n-2.850472 4.937162 0.000000\n0.000000 0.000000 4.993121\nMg Si Mo\n6 1 1\ndirect\n0.654023 0.327703 0.250000 Mg\n0.654023 0.826320 0.250000 Mg\n0.337750 0.160674 0.750000 Mg\n0.337750 0.677077 0.750000 Mg\n0.854326 0.177164 0.750000 Mg\n0.854024 0.677013 0.750000 Mg\n0.158243 0.329121 0.250000 Si\n0.149866 0.824932 0.250000 Mo\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Mg",
"Si",
"Mo"
],
"chemical_system": "Mg-Mo-Si",
"density": 2.9452414076293647,
"density_atomic": 0.052581202414044494,
"volume": 152.1456268155479,
"volume_molar": 11.453029758770752,
"formula_full": "Mg6 Si1 Mo1",
"formula_reduced": "Mg6SiMo",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.6085048499999999,
"spacegroup": 38
},
{
"id": "jvasp-92851",
"created_at": "2022-09-04T14:35:46.462665Z",
"updated_at": "2022-09-04T14:35:46.462696Z",
"structure_string": "Mg6 Nb1 Mo1\n1.0\n6.250110 -0.140730 0.000000\n-3.246930 5.342389 0.000000\n0.000000 0.000000 4.803282\nMg Nb Mo\n6 1 1\ndirect\n0.183473 0.832792 0.250000 Mg\n0.667208 0.316527 0.250000 Mg\n0.669724 0.830277 0.250000 Mg\n0.318223 0.667405 0.750000 Mg\n0.832595 0.181777 0.750000 Mg\n0.828207 0.671793 0.750000 Mg\n0.191115 0.308885 0.250000 Nb\n0.309456 0.190545 0.750000 Mo\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Mg",
"Nb",
"Mo"
],
"chemical_system": "Mg-Mo-Nb",
"density": 3.513153722047435,
"density_atomic": 0.05057233195362965,
"volume": 158.18926458315767,
"volume_molar": 11.907975225508228,
"formula_full": "Mg6 Nb1 Mo1",
"formula_reduced": "Mg6NbMo",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.9539487,
"spacegroup": 38
},
{
"id": "jvasp-92917",
"created_at": "2022-09-04T14:35:46.489325Z",
"updated_at": "2022-09-04T14:35:46.489353Z",
"structure_string": "Mg6 Ga1 W1\n1.0\n6.110049 0.004403 0.000000\n-3.051211 5.293658 0.000000\n0.000000 0.000000 4.813912\nMg Ga W\n6 1 1\ndirect\n0.171757 0.833450 0.250000 Mg\n0.666550 0.328243 0.250000 Mg\n0.668441 0.831559 0.250000 Mg\n0.326510 0.651098 0.750000 Mg\n0.848902 0.173490 0.750000 Mg\n0.833149 0.666851 0.750000 Mg\n0.311397 0.188603 0.750000 Ga\n0.173296 0.326704 0.250000 W\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Mg",
"Ga",
"W"
],
"chemical_system": "Ga-Mg-W",
"density": 4.25765509361285,
"density_atomic": 0.05135833285035694,
"volume": 155.76829612654376,
"volume_molar": 11.725732565242616,
"formula_full": "Mg6 Ga1 W1",
"formula_reduced": "Mg6GaW",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.3677383281249999,
"spacegroup": 38
},
{
"id": "jvasp-94765",
"created_at": "2022-09-04T14:35:46.700536Z",
"updated_at": "2022-09-04T14:35:46.700557Z",
"structure_string": "Mg6 Al1 W1\n1.0\n6.159406 -0.035759 0.000000\n-3.110671 5.316322 0.000000\n0.000000 0.000000 4.801856\nMg Al W\n6 1 1\ndirect\n0.177320 0.847555 0.250000 Mg\n0.652445 0.322680 0.250000 Mg\n0.669351 0.830649 0.250000 Mg\n0.326928 0.667640 0.750001 Mg\n0.832361 0.173072 0.750001 Mg\n0.831211 0.668790 0.750001 Mg\n0.188907 0.311093 0.250000 Al\n0.321480 0.178520 0.750001 W\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Mg",
"Al",
"W"
],
"chemical_system": "Al-Mg-W",
"density": 3.7793032998463114,
"density_atomic": 0.05105150319802304,
"volume": 156.70449445864307,
"volume_molar": 11.796206541932358,
"formula_full": "Mg6 Al1 W1",
"formula_reduced": "Mg6AlW",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.6775721374999999,
"spacegroup": 38
},
{
"id": "jvasp-86436",
"created_at": "2022-09-04T14:35:41.216418Z",
"updated_at": "2022-09-04T14:35:41.216451Z",
"structure_string": "Li1 Sb1 F6\n1.0\n4.509030 0.056403 3.028820\n1.643489 4.199223 3.028820\n0.081545 0.056403 5.431247\nLi Sb F\n1 1 6\ndirect\n0.500000 0.499999 0.500001 Li\n0.000000 0.000000 0.000000 Sb\n0.623259 0.891282 0.243011 F\n0.891283 0.243009 0.623259 F\n0.756990 0.376741 0.108717 F\n0.243010 0.623257 0.891285 F\n0.108717 0.756989 0.376742 F\n0.376741 0.108716 0.756991 F\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Li",
"Sb",
"F"
],
"chemical_system": "F-Li-Sb",
"density": 3.9971566651595967,
"density_atomic": 0.07934830218564845,
"volume": 100.82131286543068,
"volume_molar": 7.5895017210452815,
"formula_full": "Li1 Sb1 F6",
"formula_reduced": "LiSbF6",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0,
"spacegroup": 148
},
{
"id": "jvasp-94241",
"created_at": "2022-09-04T14:35:44.365462Z",
"updated_at": "2022-09-04T14:35:44.365477Z",
"structure_string": "Mg6 Nb1 Fe1\n1.0\n6.252896 -0.167661 0.000000\n-3.271645 5.331336 0.000000\n0.000000 0.000000 4.739284\nMg Nb Fe\n6 1 1\ndirect\n0.179787 0.840280 0.250000 Mg\n0.659721 0.320213 0.250000 Mg\n0.673680 0.826321 0.250000 Mg\n0.318355 0.666239 0.749999 Mg\n0.833762 0.181645 0.749999 Mg\n0.831537 0.668464 0.749999 Mg\n0.308020 0.191981 0.749999 Nb\n0.195140 0.304861 0.250000 Fe\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Mg",
"Nb",
"Fe"
],
"chemical_system": "Fe-Mg-Nb",
"density": 3.1479648741931903,
"density_atomic": 0.05148319309653146,
"volume": 155.39051715382,
"volume_molar": 11.697294588368733,
"formula_full": "Mg6 Nb1 Fe1",
"formula_reduced": "Mg6NbFe",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.5806961499999999,
"spacegroup": 38
}
]
}