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=spacegroup&page=840",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=spacegroup&page=838",
"results": [
{
"id": "jvasp-93169",
"created_at": "2022-09-04T14:36:03.898880Z",
"updated_at": "2022-09-04T14:36:03.898904Z",
"structure_string": "Sr1 Li1 Mg6\n1.0\n7.104236 -0.344156 0.000000\n-3.850166 5.980370 0.000000\n0.000000 0.000000 5.119346\nSr Li Mg\n1 1 6\ndirect\n0.305212 0.194788 0.750001 Sr\n0.136025 0.363974 0.250000 Li\n0.184117 0.818170 0.250000 Mg\n0.681830 0.315882 0.250000 Mg\n0.693506 0.806493 0.250000 Mg\n0.328306 0.688011 0.750001 Mg\n0.811989 0.171693 0.750001 Mg\n0.859012 0.640987 0.750001 Mg\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Sr",
"Li",
"Mg"
],
"chemical_system": "Li-Mg-Sr",
"density": 1.8943836374563574,
"density_atomic": 0.03796563073374773,
"volume": 210.71689961122607,
"volume_molar": 15.862085374619909,
"formula_full": "Sr1 Li1 Mg6",
"formula_reduced": "SrLiMg6",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0,
"spacegroup": 38
},
{
"id": "jvasp-92861",
"created_at": "2022-09-04T14:36:04.009346Z",
"updated_at": "2022-09-04T14:36:04.009365Z",
"structure_string": "Mg6 Nb1 Cr1\n1.0\n6.203161 0.290589 0.000000\n-2.849923 4.936212 0.000000\n0.000000 0.000000 4.907989\nMg Nb Cr\n6 1 1\ndirect\n0.648768 0.324374 0.250000 Mg\n0.648768 0.824393 0.250000 Mg\n0.331028 0.164245 0.750000 Mg\n0.331028 0.666784 0.750000 Mg\n0.855555 0.177778 0.750000 Mg\n0.879633 0.689817 0.750000 Mg\n0.147215 0.323606 0.250000 Nb\n0.158005 0.829002 0.250000 Cr\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Mg",
"Nb",
"Cr"
],
"chemical_system": "Cr-Mg-Nb",
"density": 3.127823616218075,
"density_atomic": 0.051831000363844734,
"volume": 154.3477830611289,
"volume_molar": 11.618800944850772,
"formula_full": "Mg6 Nb1 Cr1",
"formula_reduced": "Mg6NbCr",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.8006588874999999,
"spacegroup": 38
},
{
"id": "jvasp-96921",
"created_at": "2022-09-04T14:36:04.378763Z",
"updated_at": "2022-09-04T14:36:04.378786Z",
"structure_string": "La4 Se3 O4\n1.0\n4.111360 0.000000 0.000000\n-2.055680 6.598632 0.000000\n0.000000 0.000000 8.571609\nLa Se O\n4 3 4\ndirect\n0.685572 0.371145 0.762637 La\n0.685572 0.371145 0.237363 La\n0.016910 0.033820 0.500000 La\n0.000173 0.000346 0.000000 La\n0.357908 0.715817 0.351114 Se\n0.357908 0.715817 0.648886 Se\n0.312038 0.624077 0.000000 Se\n0.615855 0.231709 0.500000 O\n0.587614 0.175227 0.000000 O\n0.089619 0.179239 0.755949 O\n0.089619 0.179239 0.244051 O\n",
"nsites": 11,
"nelements": 3,
"elements": [
"La",
"Se",
"O"
],
"chemical_system": "La-O-Se",
"density": 6.116097975194082,
"density_atomic": 0.04730324321204247,
"volume": 232.54219484890663,
"volume_molar": 12.730925727449662,
"formula_full": "La4 Se3 O4",
"formula_reduced": "La4Se3O4",
"formula_anonymous": "A3B4C4",
"energy_above_hull": 2.071914009090909,
"spacegroup": 38
},
{
"id": "jvasp-94102",
"created_at": "2022-09-04T14:36:04.474186Z",
"updated_at": "2022-09-04T14:36:04.474219Z",
"structure_string": "Mg6 Cr1 Ni1\n1.0\n6.061844 0.012680 0.000000\n-3.019940 5.230690 0.000000\n0.000000 0.000000 4.793545\nMg Cr Ni\n6 1 1\ndirect\n0.664237 0.333043 0.250000 Mg\n0.664237 0.831193 0.250000 Mg\n0.324070 0.166837 0.749999 Mg\n0.324070 0.657234 0.749999 Mg\n0.854622 0.177312 0.749999 Mg\n0.845555 0.672779 0.749999 Mg\n0.162859 0.831428 0.250000 Cr\n0.160348 0.330173 0.250000 Ni\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Mg",
"Cr",
"Ni"
],
"chemical_system": "Cr-Mg-Ni",
"density": 2.799140906342175,
"density_atomic": 0.05257088229438125,
"volume": 152.17549432026627,
"volume_molar": 11.4552780877403,
"formula_full": "Mg6 Cr1 Ni1",
"formula_reduced": "Mg6CrNi",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.1253605125,
"spacegroup": 38
},
{
"id": "jvasp-94774",
"created_at": "2022-09-04T14:36:04.386294Z",
"updated_at": "2022-09-04T14:36:04.386314Z",
"structure_string": "Ca1 Mg6 Zn1\n1.0\n6.830806 0.358484 0.000000\n-3.104932 5.377674 0.000000\n0.000000 0.000000 5.027737\nCa Mg Zn\n1 6 1\ndirect\n0.125087 0.312537 0.250000 Ca\n0.638521 0.323588 0.250000 Mg\n0.638519 0.814915 0.250000 Mg\n0.341785 0.169431 0.750000 Mg\n0.341780 0.672361 0.750000 Mg\n0.801437 0.150726 0.750000 Mg\n0.883126 0.691567 0.750000 Mg\n0.229747 0.864869 0.250000 Zn\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ca",
"Mg",
"Zn"
],
"chemical_system": "Ca-Mg-Zn",
"density": 2.193147864092784,
"density_atomic": 0.04204234540321365,
"volume": 190.2843412581947,
"volume_molar": 14.323988593509048,
"formula_full": "Ca1 Mg6 Zn1",
"formula_reduced": "CaMg6Zn",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0,
"spacegroup": 38
},
{
"id": "jvasp-92886",
"created_at": "2022-09-04T14:36:04.488435Z",
"updated_at": "2022-09-04T14:36:04.488459Z",
"structure_string": "Mg6 Mo1 W1\n1.0\n6.116791 0.261380 0.000000\n-2.832033 4.905224 0.000000\n0.000000 0.000000 4.899655\nMg Mo W\n6 1 1\ndirect\n0.650840 0.325478 0.250000 Mg\n0.650840 0.825362 0.250000 Mg\n0.329764 0.164528 0.750001 Mg\n0.329764 0.665234 0.750001 Mg\n0.867877 0.183939 0.750001 Mg\n0.868175 0.684088 0.750001 Mg\n0.150297 0.325148 0.250000 Mo\n0.152445 0.826221 0.250000 W\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Mg",
"Mo",
"W"
],
"chemical_system": "Mg-Mo-W",
"density": 4.691680770184485,
"density_atomic": 0.05310770331298635,
"volume": 150.637280487401,
"volume_molar": 11.339486334984128,
"formula_full": "Mg6 Mo1 W1",
"formula_reduced": "Mg6MoW",
"formula_anonymous": "ABC6",
"energy_above_hull": 1.3240337749999995,
"spacegroup": 38
},
{
"id": "jvasp-48871",
"created_at": "2022-09-04T14:36:04.700344Z",
"updated_at": "2022-09-04T14:36:04.700370Z",
"structure_string": "Fe4 O3 F5\n1.0\n4.794387 -0.237747 0.000000\n-0.237747 4.794387 0.000000\n0.000000 0.000000 5.882464\nFe O F\n4 3 5\ndirect\n0.989701 0.989701 0.000000 Fe\n0.027556 0.027556 0.500000 Fe\n0.490972 0.490972 0.232450 Fe\n0.490972 0.490972 0.767549 Fe\n0.287813 0.287813 0.000000 O\n0.321184 0.321184 0.500000 O\n0.695382 0.695382 0.000000 O\n0.198111 0.797573 0.251569 F\n0.198111 0.797573 0.748430 F\n0.705046 0.705046 0.500000 F\n0.797573 0.198111 0.748430 F\n0.797573 0.198111 0.251569 F\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Fe",
"O",
"F"
],
"chemical_system": "F-Fe-O",
"density": 4.510379289594251,
"density_atomic": 0.08896620233663985,
"volume": 134.8826822414327,
"volume_molar": 6.769020821202167,
"formula_full": "Fe4 O3 F5",
"formula_reduced": "Fe4O3F5",
"formula_anonymous": "A3B4C5",
"energy_above_hull": 1.906988659375,
"spacegroup": 38
},
{
"id": "jvasp-94126",
"created_at": "2022-09-04T14:36:05.034475Z",
"updated_at": "2022-09-04T14:36:05.034506Z",
"structure_string": "Mg6 Co1 Mo1\n1.0\n6.195789 -0.210489 0.000000\n-3.280184 5.260465 0.000000\n0.000000 0.000000 4.638070\nMg Co Mo\n6 1 1\ndirect\n0.179044 0.845602 0.250000 Mg\n0.654399 0.320957 0.250000 Mg\n0.674293 0.825708 0.250000 Mg\n0.320852 0.665393 0.750000 Mg\n0.834608 0.179148 0.750000 Mg\n0.829422 0.670580 0.750000 Mg\n0.202643 0.297357 0.250000 Co\n0.304744 0.195257 0.750000 Mo\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Mg",
"Co",
"Mo"
],
"chemical_system": "Co-Mg-Mo",
"density": 3.3746442935019614,
"density_atomic": 0.054066822821546984,
"volume": 147.9650473711912,
"volume_molar": 11.138329285367266,
"formula_full": "Mg6 Co1 Mo1",
"formula_reduced": "Mg6CoMo",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.6356301375,
"spacegroup": 38
},
{
"id": "jvasp-90447",
"created_at": "2022-09-04T14:36:04.947304Z",
"updated_at": "2022-09-04T14:36:04.947333Z",
"structure_string": "Ce1 Mg6 B1\n1.0\n7.223391 0.904091 0.000000\n-2.828729 4.899502 0.000000\n0.000000 0.000000 4.614045\nCe Mg B\n1 6 1\ndirect\n0.109860 0.304930 0.250000 Ce\n0.606936 0.304960 0.250000 Mg\n0.606936 0.801974 0.250000 Mg\n0.339066 0.160361 0.750001 Mg\n0.339066 0.678706 0.750001 Mg\n0.787898 0.143949 0.750001 Mg\n0.934747 0.717374 0.750001 Mg\n0.275486 0.887742 0.250000 B\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ce",
"Mg",
"B"
],
"chemical_system": "B-Ce-Mg",
"density": 2.8143249132005805,
"density_atomic": 0.04568926300650197,
"volume": 175.095842514718,
"volume_molar": 13.180647626430302,
"formula_full": "Ce1 Mg6 B1",
"formula_reduced": "CeMg6B",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.2560565479166666,
"spacegroup": 38
},
{
"id": "jvasp-90066",
"created_at": "2022-09-04T14:36:04.915321Z",
"updated_at": "2022-09-04T14:36:04.915347Z",
"structure_string": "Er2 Cu1 Ge6\n1.0\n4.090356 0.000000 0.000000\n0.000000 4.031222 0.000000\n0.000000 -2.015611 10.658174\nEr Cu Ge\n2 1 6\ndirect\n0.000000 0.005052 0.010104 Er\n0.000000 0.668137 0.336274 Er\n0.500000 0.223906 0.447813 Cu\n0.000000 0.285023 0.570047 Ge\n0.000000 0.402532 0.805064 Ge\n0.500000 0.541473 0.082947 Ge\n0.500000 0.115399 0.230798 Ge\n0.500000 0.903702 0.807403 Ge\n0.500000 0.785775 0.571550 Ge\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Er",
"Cu",
"Ge"
],
"chemical_system": "Cu-Er-Ge",
"density": 7.879243551414545,
"density_atomic": 0.0512108376849188,
"volume": 175.7440496360096,
"volume_molar": 11.759504496005295,
"formula_full": "Er2 Cu1 Ge6",
"formula_reduced": "Er2CuGe6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 0.8920340166666666,
"spacegroup": 38
},
{
"id": "jvasp-93147",
"created_at": "2022-09-04T14:36:05.414846Z",
"updated_at": "2022-09-04T14:36:05.414862Z",
"structure_string": "Ce1 Mg6 Mo1\n1.0\n6.651648 -0.166001 0.000000\n-3.469585 5.677495 0.000000\n0.000000 0.000000 4.775826\nCe Mg Mo\n1 6 1\ndirect\n0.207107 0.292893 0.250000 Ce\n0.181006 0.820016 0.250000 Mg\n0.679986 0.318996 0.250000 Mg\n0.660632 0.839370 0.250000 Mg\n0.325150 0.676894 0.750001 Mg\n0.823107 0.174851 0.750001 Mg\n0.821661 0.678341 0.750001 Mg\n0.301358 0.198642 0.750001 Mo\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ce",
"Mg",
"Mo"
],
"chemical_system": "Ce-Mg-Mo",
"density": 3.570448984140666,
"density_atomic": 0.0450432775568094,
"volume": 177.60696898466713,
"volume_molar": 13.369677089782748,
"formula_full": "Ce1 Mg6 Mo1",
"formula_reduced": "CeMg6Mo",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.4683657124999999,
"spacegroup": 38
},
{
"id": "jvasp-90634",
"created_at": "2022-09-04T14:36:05.569039Z",
"updated_at": "2022-09-04T14:36:05.569064Z",
"structure_string": "Ce1 Mg6 Fe1\n1.0\n6.801630 0.698885 0.000000\n-2.795562 4.842055 0.000000\n0.000000 0.000000 4.959792\nCe Mg Fe\n1 6 1\ndirect\n0.125528 0.812764 0.250000 Ce\n0.625177 0.313934 0.250000 Mg\n0.625177 0.811243 0.250000 Mg\n0.347009 0.178800 0.750000 Mg\n0.347009 0.668211 0.750000 Mg\n0.931025 0.215513 0.750000 Mg\n0.802378 0.651189 0.750000 Mg\n0.196697 0.348348 0.250000 Fe\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ce",
"Mg",
"Fe"
],
"chemical_system": "Ce-Fe-Mg",
"density": 3.2800059240950388,
"density_atomic": 0.046233300175511444,
"volume": 173.03545214445643,
"volume_molar": 13.025548116052006,
"formula_full": "Ce1 Mg6 Fe1",
"formula_reduced": "CeMg6Fe",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0977431624999999,
"spacegroup": 38
}
]
}