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=1550",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=density&page=1548",
"results": [
{
"id": "jvasp-28747",
"created_at": "2022-09-04T14:38:36.206256Z",
"updated_at": "2022-09-04T14:38:36.206275Z",
"structure_string": "Te2 Mo4 Se2 S4\n1.0\n3.312663 0.000000 0.000000\n-1.656331 2.868847 -0.000061\n0.000000 -0.000995 35.876017\nTe Mo Se S\n2 4 2 4\ndirect\n0.666649 0.333299 0.417142 Te\n0.666712 0.333425 0.524057 Te\n0.333280 0.666560 0.098212 Mo\n0.333348 0.666696 0.470588 Mo\n0.666616 0.333234 0.275496 Mo\n0.666755 0.333509 0.658622 Mo\n0.333289 0.666579 0.322284 Se\n0.333280 0.666559 0.228699 Se\n0.333426 0.666853 0.701172 S\n0.666609 0.333216 0.055638 S\n0.666619 0.333236 0.140819 S\n0.333415 0.666831 0.616018 S\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Te",
"Mo",
"Se",
"S"
],
"chemical_system": "Mo-S-Se-Te",
"density": 4.505756222571018,
"density_atomic": 0.03519592478363784,
"volume": 340.9485636126446,
"volume_molar": 17.110335349959666,
"formula_full": "Te2 Mo4 Se2 S4",
"formula_reduced": "TeMo2SeS2",
"formula_anonymous": "ABC2D2",
"energy_above_hull": 3.235382155555555,
"spacegroup": 156
},
{
"id": "jvasp-46172",
"created_at": "2022-09-04T14:38:08.700537Z",
"updated_at": "2022-09-04T14:38:08.700560Z",
"structure_string": "Sr4 Li4 Ni2 O8\n1.0\n5.346437 0.002674 -0.041830\n-0.769044 5.436157 0.000131\n-0.997971 -2.444380 7.917359\nSr Li Ni O\n4 4 2 8\ndirect\n0.272653 0.782010 0.023117 Sr\n0.832710 0.845788 0.305236 Sr\n0.167291 0.154212 0.694764 Sr\n0.727349 0.217989 0.976883 Sr\n0.801478 0.377704 0.454426 Li\n0.413425 0.117257 0.412054 Li\n0.586576 0.882743 0.587946 Li\n0.198523 0.622296 0.545574 Li\n0.708839 0.608353 0.756125 Ni\n0.291162 0.391647 0.243875 Ni\n0.576496 0.189207 0.239301 O\n0.212267 0.297572 0.997894 O\n0.126665 0.269928 0.423860 O\n0.323850 0.757678 0.360925 O\n0.676152 0.242322 0.639075 O\n0.873337 0.730072 0.576140 O\n0.787735 0.702428 0.002106 O\n0.423506 0.810793 0.760699 O\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Sr",
"Li",
"Ni",
"O"
],
"chemical_system": "Li-Ni-O-Sr",
"density": 4.505879917612073,
"density_atomic": 0.07832110530608075,
"volume": 229.82310999896606,
"volume_molar": 7.689039546192984,
"formula_full": "Sr4 Li4 Ni2 O8",
"formula_reduced": "Sr2Li2NiO4",
"formula_anonymous": "AB2C2D4",
"energy_above_hull": 1.202829891111111,
"spacegroup": 2
},
{
"id": "jvasp-38037",
"created_at": "2022-09-04T14:36:59.730572Z",
"updated_at": "2022-09-04T14:36:59.730600Z",
"structure_string": "Ca2 Mo2 N6\n1.0\n3.511753 0.000000 0.000000\n0.000000 4.283192 0.000000\n0.000000 0.000000 8.724055\nCa Mo N\n2 2 6\ndirect\n0.500000 0.500000 0.819880 Ca\n0.500000 0.000000 0.183860 Ca\n0.000000 0.000000 0.613267 Mo\n0.000000 0.500000 0.402551 Mo\n0.000000 0.000000 0.390087 N\n0.500000 0.500000 0.312364 N\n0.000000 0.644248 0.026324 N\n0.000000 0.500000 0.624567 N\n0.500000 0.000000 0.705505 N\n0.000000 0.355752 0.026324 N\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Ca",
"Mo",
"N"
],
"chemical_system": "Ca-Mo-N",
"density": 4.5059061755084775,
"density_atomic": 0.07620616387627892,
"volume": 131.2229810732246,
"volume_molar": 7.902432629697745,
"formula_full": "Ca2 Mo2 N6",
"formula_reduced": "CaMoN3",
"formula_anonymous": "ABC3",
"energy_above_hull": 4.327679214,
"spacegroup": 25
},
{
"id": "jvasp-5464",
"created_at": "2022-09-04T14:37:43.895286Z",
"updated_at": "2022-09-04T14:37:43.895307Z",
"structure_string": "Ca1 Au2 F12\n1.0\n6.070440 0.000000 0.000000\n0.000000 6.070440 0.000000\n0.000000 -0.000000 6.619071\nCa Au F\n1 2 12\ndirect\n0.000000 0.000000 0.000000 Ca\n0.500000 0.000000 0.239416 Au\n0.000000 0.500000 0.760584 Au\n0.000000 0.500000 0.053718 F\n0.500000 0.000000 0.946282 F\n0.000000 0.500000 0.470670 F\n0.256064 0.207412 0.227442 F\n0.207412 0.743936 0.772558 F\n0.792588 0.256064 0.772558 F\n0.743936 0.792588 0.227442 F\n0.743936 0.207412 0.227442 F\n0.207412 0.256064 0.772558 F\n0.792588 0.743936 0.772558 F\n0.256064 0.792588 0.227442 F\n0.500000 0.000000 0.529330 F\n",
"nsites": 15,
"nelements": 3,
"elements": [
"Ca",
"Au",
"F"
],
"chemical_system": "Au-Ca-F",
"density": 4.506760110173329,
"density_atomic": 0.06149699255870624,
"volume": 243.91436679900573,
"volume_molar": 9.792577668332555,
"formula_full": "Ca1 Au2 F12",
"formula_reduced": "Ca(AuF6)2",
"formula_anonymous": "AB2C12",
"energy_above_hull": 0.0,
"spacegroup": 115
},
{
"id": "jvasp-8436",
"created_at": "2022-09-04T14:37:02.415813Z",
"updated_at": "2022-09-04T14:37:02.415840Z",
"structure_string": "Pr3 Al1 N1\n1.0\n5.548934 0.000000 -0.000000\n0.000000 5.548934 0.000000\n0.000000 0.000000 5.548934\nPr Al N\n3 1 1\ndirect\n0.000000 0.500000 0.500000 Pr\n0.500000 0.000000 0.500000 Pr\n0.500000 0.500000 0.000000 Pr\n0.500000 0.500000 0.500000 Al\n0.000000 0.000000 0.000000 N\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Pr",
"Al",
"N"
],
"chemical_system": "Al-N-Pr",
"density": 4.506796978708876,
"density_atomic": 0.029264514701324566,
"volume": 170.85538752411605,
"volume_molar": 20.578303865491495,
"formula_full": "Pr3 Al1 N1",
"formula_reduced": "Pr3AlN",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.76166312,
"spacegroup": 221
},
{
"id": "jvasp-49610",
"created_at": "2022-09-04T14:37:28.665523Z",
"updated_at": "2022-09-04T14:37:28.665555Z",
"structure_string": "Mn4 Al4 O14\n1.0\n5.715506 -0.000000 3.299849\n1.905169 5.388630 3.299849\n-0.000000 -0.000000 6.599697\nMn Al O\n4 4 14\ndirect\n0.000000 0.500000 0.000000 Mn\n0.500000 0.000000 -0.000000 Mn\n0.000000 0.000000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.500000 0.000000 0.500000 Al\n0.000000 0.500000 0.500000 Al\n0.500000 0.500000 -0.000000 Al\n0.500000 0.500000 0.500000 Al\n0.655542 0.094459 0.094459 O\n0.094459 0.094459 0.655542 O\n0.655542 0.655541 0.094459 O\n0.905542 0.344459 0.344459 O\n0.344459 0.905541 0.344459 O\n0.344459 0.344459 0.905542 O\n0.344459 0.905541 0.905542 O\n0.905542 0.344459 0.905542 O\n0.094459 0.655541 0.655542 O\n0.655542 0.094459 0.655542 O\n0.375000 0.375000 0.375000 O\n0.625001 0.625000 0.625000 O\n0.905542 0.905541 0.344459 O\n0.094459 0.655541 0.094459 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Mn",
"Al",
"O"
],
"chemical_system": "Al-Mn-O",
"density": 4.506831973179656,
"density_atomic": 0.10823447980488411,
"volume": 203.26239881837768,
"volume_molar": 5.563976258634217,
"formula_full": "Mn4 Al4 O14",
"formula_reduced": "Mn2Al2O7",
"formula_anonymous": "A2B2C7",
"energy_above_hull": 2.9588476893416926,
"spacegroup": 227
},
{
"id": "jvasp-27535",
"created_at": "2022-09-04T14:38:05.260915Z",
"updated_at": "2022-09-04T14:38:05.260934Z",
"structure_string": "Cd4 S4 O12\n1.0\n0.000000 4.478879 0.096286\n8.761206 0.000000 0.000000\n0.000000 -0.287057 -7.234933\nCd S O\n4 4 12\ndirect\n0.766704 0.707038 0.516109 Cd\n0.233295 0.207038 0.983890 Cd\n0.233295 0.292963 0.483890 Cd\n0.766704 0.792963 0.016109 Cd\n0.261123 0.575227 0.790220 S\n0.738877 0.075227 0.709779 S\n0.738877 0.424774 0.209779 S\n0.261123 0.924774 0.290221 S\n0.711389 0.367484 0.412032 O\n0.288610 0.867484 0.087967 O\n0.926510 0.896063 0.315391 O\n0.073490 0.396063 0.184608 O\n0.073489 0.103937 0.684608 O\n0.292534 0.400422 0.769831 O\n0.707465 0.599579 0.230168 O\n0.292534 0.099579 0.269831 O\n0.711389 0.132516 0.912032 O\n0.707465 0.900422 0.730168 O\n0.926510 0.603938 0.815391 O\n0.288610 0.632517 0.587967 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Cd",
"S",
"O"
],
"chemical_system": "Cd-O-S",
"density": 4.506967947313849,
"density_atomic": 0.07050710014358241,
"volume": 283.65937557028303,
"volume_molar": 8.541183437889748,
"formula_full": "Cd4 S4 O12",
"formula_reduced": "CdSO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.27994405,
"spacegroup": 14
},
{
"id": "jvasp-116409",
"created_at": "2022-09-04T14:38:31.194122Z",
"updated_at": "2022-09-04T14:38:31.194142Z",
"structure_string": "Zn1 Si1 O1\n1.0\n4.127470 0.000000 -0.000000\n-2.063735 3.574494 0.000000\n0.000000 -0.000000 2.734345\nZn Si O\n1 1 1\ndirect\n0.666667 0.333333 0.000000 Zn\n0.333333 0.666667 0.000000 Si\n0.000000 0.000000 0.000000 O\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Zn",
"Si",
"O"
],
"chemical_system": "O-Si-Zn",
"density": 4.506996437650991,
"density_atomic": 0.0743651480906218,
"volume": 40.34147819277093,
"volume_molar": 8.098068671444565,
"formula_full": "Zn1 Si1 O1",
"formula_reduced": "ZnSiO",
"formula_anonymous": "ABC",
"energy_above_hull": 1.2284475,
"spacegroup": 187
},
{
"id": "jvasp-48415",
"created_at": "2022-09-04T14:35:48.215012Z",
"updated_at": "2022-09-04T14:35:48.215036Z",
"structure_string": "V6 O10 F2\n1.0\n5.461083 -0.019713 0.041419\n1.427692 5.255352 0.053239\n2.148142 1.626667 6.488591\nV O F\n6 10 2\ndirect\n0.360751 0.336400 0.152529 V\n0.636869 0.700859 0.330863 V\n0.363130 0.299141 0.669137 V\n0.639248 0.663600 0.847471 V\n-0.000000 0.000000 0.500000 V\n0.000000 0.000000 0.000000 V\n0.703429 0.295828 -0.001058 O\n0.638192 0.021075 0.671236 O\n0.296570 0.704172 0.001058 O\n0.565961 0.565318 0.630800 O\n0.235104 0.236690 0.965340 O\n0.434037 0.434683 0.369200 O\n0.103325 0.100934 0.695653 O\n0.764895 0.763310 0.034660 O\n0.361806 0.978925 0.328764 O\n0.896673 0.899067 0.304347 O\n0.033300 0.627611 0.670693 F\n0.966698 0.372390 0.329307 F\n",
"nsites": 18,
"nelements": 3,
"elements": [
"V",
"O",
"F"
],
"chemical_system": "F-O-V",
"density": 4.507019248641737,
"density_atomic": 0.0970046989496924,
"volume": 185.55802136281028,
"volume_molar": 6.208091798855168,
"formula_full": "V6 O10 F2",
"formula_reduced": "V3O5F",
"formula_anonymous": "AB3C5",
"energy_above_hull": 2.9906444869444444,
"spacegroup": 2
},
{
"id": "jvasp-14187",
"created_at": "2022-09-04T14:37:56.653093Z",
"updated_at": "2022-09-04T14:37:56.653115Z",
"structure_string": "Na2 Cu3 Ge4 O12\n1.0\n5.556672 0.074047 -0.022569\n0.180238 6.352757 0.050947\n1.644641 0.273770 7.504306\nNa Cu Ge O\n2 3 4 12\ndirect\n0.090517 0.247754 0.596662 Na\n0.909482 0.752247 0.403338 Na\n0.508619 0.162749 0.819909 Cu\n0.491381 0.837252 0.180092 Cu\n0.000000 0.000000 0.000000 Cu\n0.245583 0.397666 0.178502 Ge\n0.754416 0.602335 0.821499 Ge\n0.693099 0.221669 0.371255 Ge\n0.306901 0.778332 0.628746 Ge\n0.237612 0.992491 0.775099 O\n0.935553 0.408247 0.315314 O\n0.587755 0.637689 0.641214 O\n0.412245 0.362312 0.358786 O\n0.733982 0.827237 0.952964 O\n0.291562 0.882690 0.414859 O\n0.717350 0.345284 0.914101 O\n0.282650 0.654717 0.085900 O\n0.762388 0.007510 0.224902 O\n0.708438 0.117311 0.585142 O\n0.266017 0.172764 0.047037 O\n0.064447 0.591754 0.684687 O\n",
"nsites": 21,
"nelements": 4,
"elements": [
"Na",
"Cu",
"Ge",
"O"
],
"chemical_system": "Cu-Ge-Na-O",
"density": 4.5070218717859944,
"density_atomic": 0.0792552601466325,
"volume": 264.96664020971326,
"volume_molar": 7.598411447843662,
"formula_full": "Na2 Cu3 Ge4 O12",
"formula_reduced": "Na2Cu3(GeO3)4",
"formula_anonymous": "A2B3C4D12",
"energy_above_hull": 1.707088816666667,
"spacegroup": 2
},
{
"id": "jvasp-34279",
"created_at": "2022-09-04T14:36:34.493343Z",
"updated_at": "2022-09-04T14:36:34.493369Z",
"structure_string": "Li2 Nb2 O6\n1.0\n4.622421 0.047775 3.091668\n1.676378 4.307977 3.092005\n0.069067 0.047981 5.560709\nLi Nb O\n2 2 6\ndirect\n0.786658 0.786670 0.786838 Li\n0.286688 0.286833 0.286648 Li\n0.005436 0.005514 0.005550 Nb\n0.505446 0.505566 0.505491 Nb\n0.873848 0.609094 0.224650 O\n0.224838 0.873904 0.608995 O\n0.109098 0.373843 0.724777 O\n0.373852 0.724626 0.109102 O\n0.724834 0.108996 0.373906 O\n0.609106 0.224751 0.873849 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Li",
"Nb",
"O"
],
"chemical_system": "Li-Nb-O",
"density": 4.507136501060097,
"density_atomic": 0.09179378390377887,
"volume": 108.93983856774348,
"volume_molar": 6.5605104222662805,
"formula_full": "Li2 Nb2 O6",
"formula_reduced": "LiNbO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.32037198,
"spacegroup": 161
},
{
"id": "jvasp-45323",
"created_at": "2022-09-04T14:37:00.548953Z",
"updated_at": "2022-09-04T14:37:00.548975Z",
"structure_string": "Cd4 S4 O12\n1.0\n0.000000 4.478704 0.096236\n8.760013 0.000000 0.000000\n0.000000 -0.287028 -7.235833\nCd S O\n4 4 12\ndirect\n0.766554 0.707010 0.516081 Cd\n0.233445 0.207010 0.983918 Cd\n0.233445 0.292989 0.483918 Cd\n0.766554 0.792989 0.016081 Cd\n0.261006 0.575247 0.790248 S\n0.738992 0.075247 0.709751 S\n0.738993 0.424753 0.209751 S\n0.261006 0.924753 0.290248 S\n0.711491 0.367470 0.411993 O\n0.288508 0.867470 0.088006 O\n0.926382 0.896073 0.315404 O\n0.073617 0.396073 0.184595 O\n0.073617 0.103927 0.684595 O\n0.292517 0.400425 0.769859 O\n0.707481 0.599574 0.230140 O\n0.292518 0.099574 0.269860 O\n0.711491 0.132529 0.911993 O\n0.707481 0.900425 0.730139 O\n0.926381 0.603926 0.815404 O\n0.288508 0.632529 0.588006 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Cd",
"S",
"O"
],
"chemical_system": "Cd-O-S",
"density": 4.507194472194018,
"density_atomic": 0.070510643903511,
"volume": 283.6451192726113,
"volume_molar": 8.540754170733269,
"formula_full": "Cd4 S4 O12",
"formula_reduced": "CdSO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.27994405,
"spacegroup": 14
}
]
}