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=931",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=density&page=929",
"results": [
{
"id": "jvasp-101426",
"created_at": "2022-09-04T14:36:40.325579Z",
"updated_at": "2022-09-04T14:36:40.325599Z",
"structure_string": "Sc2 O4\n1.0\n3.265223 0.000000 0.000000\n0.000000 4.337862 -0.000000\n0.000000 0.000000 5.020475\nSc O\n2 4\ndirect\n0.000000 0.000000 0.500000 Sc\n0.500000 0.500000 0.000000 Sc\n0.000000 0.780606 0.873595 O\n0.500000 0.719393 0.373595 O\n0.000000 0.219393 0.126404 O\n0.500000 0.280606 0.626404 O\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Sc",
"O"
],
"chemical_system": "O-Sc",
"density": 3.59402358552351,
"density_atomic": 0.08437579209286918,
"volume": 71.11044354281181,
"volume_molar": 7.137285008680765,
"formula_full": "Sc2 O4",
"formula_reduced": "ScO2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.2548707500000005,
"spacegroup": 58
},
{
"id": "jvasp-36014",
"created_at": "2022-09-04T14:37:10.794741Z",
"updated_at": "2022-09-04T14:37:10.794754Z",
"structure_string": "K1 Zr1 S2\n1.0\n-1.871419 -3.241392 -0.000000\n-3.742839 -0.000000 -0.000000\n-1.871419 -1.080464 -7.405014\nK Zr S\n1 1 2\ndirect\n0.499999 0.500001 0.500000 K\n0.000000 0.000000 0.000000 Zr\n0.734493 0.734496 0.796514 S\n0.265505 0.265506 0.203485 S\n",
"nsites": 4,
"nelements": 3,
"elements": [
"K",
"Zr",
"S"
],
"chemical_system": "K-S-Zr",
"density": 3.5942112223452076,
"density_atomic": 0.044524741357370404,
"volume": 89.83769199004813,
"volume_molar": 13.52538066793986,
"formula_full": "K1 Zr1 S2",
"formula_reduced": "KZrS2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.3696956250000003,
"spacegroup": 166
},
{
"id": "jvasp-67591",
"created_at": "2022-09-04T14:36:10.502663Z",
"updated_at": "2022-09-04T14:36:10.502681Z",
"structure_string": "Na1 Mn1 Be1\n1.0\n-1.219954 1.219954 6.747111\n1.219954 -1.219954 6.747111\n1.219954 1.219954 -6.747111\nNa Mn Be\n1 1 1\ndirect\n0.667204 0.667204 0.000000 Na\n0.357345 0.357345 0.000000 Mn\n0.975451 0.975451 0.000000 Be\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Na",
"Mn",
"Be"
],
"chemical_system": "Be-Mn-Na",
"density": 3.5942142172665608,
"density_atomic": 0.07468897471220062,
"volume": 40.16657092375299,
"volume_molar": 8.062958131645459,
"formula_full": "Na1 Mn1 Be1",
"formula_reduced": "NaMnBe",
"formula_anonymous": "ABC",
"energy_above_hull": 1.7988474471264366,
"spacegroup": 107
},
{
"id": "jvasp-18809",
"created_at": "2022-09-04T14:36:57.064376Z",
"updated_at": "2022-09-04T14:36:57.064386Z",
"structure_string": "Li4 Zr1 Ge2\n1.0\n4.658511 0.326378 6.020824\n2.287915 4.071081 6.020824\n0.515562 0.326378 7.595146\nLi Zr Ge\n4 1 2\ndirect\n0.926036 0.926039 0.926039 Li\n0.747301 0.747303 0.747303 Li\n0.073961 0.073962 0.073962 Li\n0.252697 0.252698 0.252698 Li\n0.499999 0.500000 0.500000 Zr\n0.622958 0.622960 0.622960 Ge\n0.377040 0.377041 0.377041 Ge\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Li",
"Zr",
"Ge"
],
"chemical_system": "Ge-Li-Zr",
"density": 3.594309921474462,
"density_atomic": 0.057335009167832546,
"volume": 122.08945462116202,
"volume_molar": 10.503426872003859,
"formula_full": "Li4 Zr1 Ge2",
"formula_reduced": "Li4ZrGe2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.4052394857142856,
"spacegroup": 166
},
{
"id": "jvasp-78750",
"created_at": "2022-09-04T14:36:32.849701Z",
"updated_at": "2022-09-04T14:36:32.849731Z",
"structure_string": "Ca1 Mg1 Sn1\n1.0\n4.267120 -0.000000 2.463623\n1.422373 4.023079 2.463623\n-0.000000 -0.000000 4.927245\nCa Mg Sn\n1 1 1\ndirect\n0.500000 0.500000 0.500000 Ca\n0.250000 0.250000 0.250000 Mg\n0.000000 0.000000 0.000000 Sn\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ca",
"Mg",
"Sn"
],
"chemical_system": "Ca-Mg-Sn",
"density": 3.5943739962940118,
"density_atomic": 0.035466936732556555,
"volume": 84.58582207485027,
"volume_molar": 16.97959089450212,
"formula_full": "Ca1 Mg1 Sn1",
"formula_reduced": "CaMgSn",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0849733333333333,
"spacegroup": 216
},
{
"id": "jvasp-21056",
"created_at": "2022-09-04T14:38:36.148477Z",
"updated_at": "2022-09-04T14:38:36.148506Z",
"structure_string": "K4 Zr2 F12\n1.0\n6.578311 0.000000 0.082863\n3.289155 5.700365 0.041432\n0.023429 0.000000 6.983241\nK Zr F\n4 2 12\ndirect\n0.320789 0.313944 0.002196 K\n0.365267 0.313944 0.497804 K\n0.679211 0.686057 0.997804 K\n0.634733 0.686057 0.502195 K\n0.047410 0.905180 0.250000 Zr\n0.952590 0.094821 0.749999 Zr\n0.386495 0.611437 0.221407 F\n0.002068 0.611437 0.278592 F\n0.723008 0.969967 0.715553 F\n0.937556 0.200587 0.045669 F\n0.692973 0.030034 0.215553 F\n-0.002068 0.388563 0.721408 F\n0.613505 0.388563 0.778592 F\n0.138143 0.799414 0.545669 F\n0.062445 0.799414 0.954331 F\n0.861858 0.200587 0.454330 F\n0.276992 0.030034 0.284446 F\n0.307027 0.969967 0.784446 F\n",
"nsites": 18,
"nelements": 3,
"elements": [
"K",
"Zr",
"F"
],
"chemical_system": "F-K-Zr",
"density": 3.594513197395608,
"density_atomic": 0.06874114512653776,
"volume": 261.8519078619631,
"volume_molar": 8.76060581899607,
"formula_full": "K4 Zr2 F12",
"formula_reduced": "K2ZrF6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 0.0,
"spacegroup": 15
},
{
"id": "jvasp-71304",
"created_at": "2022-09-04T14:36:08.396635Z",
"updated_at": "2022-09-04T14:36:08.396661Z",
"structure_string": "K1 Be2 Mo1\n1.0\n3.150924 -0.000000 0.000000\n-0.000000 3.150924 0.000000\n-0.000000 -0.000000 7.121759\nK Be Mo\n1 2 1\ndirect\n0.499999 0.499999 0.000000 K\n0.000000 0.000000 0.642513 Be\n0.000000 0.000000 0.357487 Be\n0.499999 0.499999 0.500000 Mo\n",
"nsites": 4,
"nelements": 3,
"elements": [
"K",
"Be",
"Mo"
],
"chemical_system": "Be-K-Mo",
"density": 3.594638619201449,
"density_atomic": 0.05657139158023293,
"volume": 70.7071169413777,
"volume_molar": 10.64520527386893,
"formula_full": "K1 Be2 Mo1",
"formula_reduced": "KBe2Mo",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.308109025,
"spacegroup": 123
},
{
"id": "jvasp-53587",
"created_at": "2022-09-04T14:37:06.308202Z",
"updated_at": "2022-09-04T14:37:06.308234Z",
"structure_string": "Al11 N1 O15\n1.0\n5.627659 -0.000613 0.006107\n0.023455 5.694890 0.000406\n0.164594 0.021030 7.939046\nAl N O\n11 1 15\ndirect\n0.015094 0.996395 0.993124 Al\n0.982767 0.257041 0.637612 Al\n0.255653 0.006697 0.374544 Al\n0.516961 0.745222 0.111467 Al\n0.250382 0.498924 0.875637 Al\n0.983703 0.744371 0.637803 Al\n0.743121 0.006796 0.375394 Al\n0.483755 0.001865 0.756291 Al\n0.502593 0.492574 0.493755 Al\n0.998415 0.502489 0.254443 Al\n0.518530 0.258957 0.121631 Al\n0.498417 0.230184 0.364058 N\n0.018617 0.743653 0.865373 O\n0.745655 0.995101 0.127138 O\n0.224973 0.997469 0.615405 O\n0.499519 0.764858 0.367054 O\n0.480445 0.745548 0.882244 O\n0.770720 0.502735 0.609125 O\n0.758629 0.999478 0.622579 O\n0.265314 0.503469 0.119337 O\n0.480918 0.252705 0.888121 O\n0.020172 0.252097 0.865851 O\n-0.000152 0.231425 0.382802 O\n0.266942 0.990848 0.134240 O\n0.000590 0.772915 0.383621 O\n0.736977 0.505746 0.136367 O\n0.231292 0.500444 0.630005 O\n",
"nsites": 27,
"nelements": 3,
"elements": [
"Al",
"N",
"O"
],
"chemical_system": "Al-N-O",
"density": 3.5947360859776714,
"density_atomic": 0.10611871560226413,
"volume": 254.4320278168155,
"volume_molar": 5.674909205055919,
"formula_full": "Al11 N1 O15",
"formula_reduced": "Al11NO15",
"formula_anonymous": "AB11C15",
"energy_above_hull": 2.726301724074074,
"spacegroup": 1
},
{
"id": "jvasp-12124",
"created_at": "2022-09-04T14:35:55.010112Z",
"updated_at": "2022-09-04T14:35:55.010127Z",
"structure_string": "Zn1 Cu3 H6 Cl2 O6\n1.0\n6.323010 -0.000000 -0.000000\n-3.161505 5.475886 0.000000\n-0.000000 -0.000000 5.723304\nZn Cu H Cl O\n1 3 6 2 6\ndirect\n0.000000 0.000000 0.500000 Zn\n0.000001 0.500000 0.500000 Cu\n0.500000 0.000000 0.500000 Cu\n0.500001 0.500000 0.500000 Cu\n0.800980 0.601960 0.174755 H\n0.601961 0.800980 0.825245 H\n0.199021 0.398040 0.825245 H\n0.800980 0.199021 0.174755 H\n0.199021 0.800980 0.825245 H\n0.398040 0.199021 0.174755 H\n0.333334 0.666667 0.121531 Cl\n0.666667 0.333333 0.878468 Cl\n0.822969 0.645937 0.342810 O\n0.645937 0.822969 0.657190 O\n0.822968 0.177032 0.342810 O\n0.354064 0.177032 0.342810 O\n0.177033 0.822969 0.657190 O\n0.177032 0.354064 0.657190 O\n",
"nsites": 18,
"nelements": 5,
"elements": [
"Zn",
"Cu",
"H",
"Cl",
"O"
],
"chemical_system": "Cl-Cu-H-O-Zn",
"density": 3.594829621979597,
"density_atomic": 0.09083378756801681,
"volume": 198.1641466455586,
"volume_molar": 6.629846581582421,
"formula_full": "Zn1 Cu3 H6 Cl2 O6",
"formula_reduced": "ZnCu3H6(ClO3)2",
"formula_anonymous": "AB2C3D6E6",
"energy_above_hull": 1.8519094936111111,
"spacegroup": 164
},
{
"id": "jvasp-20949",
"created_at": "2022-09-04T14:38:31.318127Z",
"updated_at": "2022-09-04T14:38:31.318154Z",
"structure_string": "Sr6 Si6 O18\n1.0\n6.778771 0.000410 2.276118\n2.987896 6.084753 2.276118\n-0.020733 -0.012918 10.990346\nSr Si O\n6 6 18\ndirect\n0.327945 0.845136 0.500899 Sr\n0.672056 0.154864 0.499102 Sr\n0.845136 0.327944 0.000899 Sr\n0.500000 0.000000 0.000000 Sr\n0.000001 0.500000 0.500000 Sr\n0.154865 0.672056 0.999102 Sr\n0.581885 0.667904 0.753871 Si\n0.332096 0.418116 0.746130 Si\n0.418117 0.332095 0.246130 Si\n0.667905 0.581883 0.253871 Si\n0.833787 0.166213 0.750000 Si\n0.166214 0.833786 0.250000 Si\n0.181623 0.371680 0.884823 O\n0.628320 0.818377 0.615178 O\n0.719445 0.534713 0.396005 O\n0.632982 0.367018 0.250000 O\n0.534714 0.719444 0.896005 O\n0.371681 0.181622 0.384823 O\n0.818378 0.628319 0.115177 O\n0.797948 0.417151 0.751722 O\n0.582849 0.202052 0.748279 O\n0.202053 0.582849 0.248279 O\n0.417152 0.797947 0.251722 O\n0.983500 0.111345 0.610224 O\n0.888655 0.016500 0.889777 O\n0.016501 0.888654 0.389777 O\n0.111346 0.983500 0.110224 O\n0.367019 0.632982 0.750000 O\n0.280556 0.465286 0.603995 O\n0.465287 0.280555 0.103995 O\n",
"nsites": 30,
"nelements": 3,
"elements": [
"Sr",
"Si",
"O"
],
"chemical_system": "O-Si-Sr",
"density": 3.5948829827972566,
"density_atomic": 0.06612218094525393,
"volume": 453.70554284709084,
"volume_molar": 9.107595475391307,
"formula_full": "Sr6 Si6 O18",
"formula_reduced": "SrSiO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.4466550819999997,
"spacegroup": 15
},
{
"id": "jvasp-10332",
"created_at": "2022-09-04T14:37:20.190469Z",
"updated_at": "2022-09-04T14:37:20.190492Z",
"structure_string": "Mg2 Mn4 O10\n1.0\n3.654276 -0.000000 0.000000\n-1.827137 4.809533 -0.000000\n0.000000 -0.000000 11.258094\nMg Mn O\n2 4 10\ndirect\n0.911419 0.822836 0.750000 Mg\n0.088582 0.177165 0.250000 Mg\n0.224816 0.449633 0.597185 Mn\n0.775185 0.550367 0.402813 Mn\n0.775185 0.550367 0.097186 Mn\n0.224816 0.449633 0.902814 Mn\n0.691873 0.383746 0.250000 O\n0.308128 0.616254 0.750000 O\n0.227071 0.454140 0.079442 O\n0.772931 0.545860 0.920558 O\n0.772931 0.545860 0.579442 O\n0.227071 0.454140 0.420557 O\n0.053512 0.107022 0.623315 O\n0.946488 0.892977 0.376684 O\n0.053512 0.107022 0.876684 O\n0.946488 0.892977 0.123316 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Mg",
"Mn",
"O"
],
"chemical_system": "Mg-Mn-O",
"density": 3.594885061626862,
"density_atomic": 0.08086318769438886,
"volume": 197.86506636950512,
"volume_molar": 7.447320507274387,
"formula_full": "Mg2 Mn4 O10",
"formula_reduced": "MgMn2O5",
"formula_anonymous": "AB2C5",
"energy_above_hull": 2.628275129094827,
"spacegroup": 63
},
{
"id": "jvasp-66573",
"created_at": "2022-09-04T14:35:49.657905Z",
"updated_at": "2022-09-04T14:35:49.657921Z",
"structure_string": "Ba1 Zr1 Cl1\n1.0\n0.000000 3.935884 3.935884\n3.935884 0.000000 3.935884\n3.935884 3.935884 -0.000000\nBa Zr Cl\n1 1 1\ndirect\n0.749999 0.749999 0.749999 Ba\n0.499999 0.499999 0.499999 Zr\n0.000000 0.000000 0.000000 Cl\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"Zr",
"Cl"
],
"chemical_system": "Ba-Cl-Zr",
"density": 3.5950318149869336,
"density_atomic": 0.024601658649881775,
"volume": 121.9429975309578,
"volume_molar": 24.478596527592007,
"formula_full": "Ba1 Zr1 Cl1",
"formula_reduced": "BaZrCl",
"formula_anonymous": "ABC",
"energy_above_hull": 1.4077181791666666,
"spacegroup": 216
}
]
}