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=985",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=spacegroup&page=983",
"results": [
{
"id": "jvasp-100452",
"created_at": "2022-09-04T14:36:41.583611Z",
"updated_at": "2022-09-04T14:36:41.583629Z",
"structure_string": "Sr2 Ca4 N4\n1.0\n3.415115 0.000000 0.000000\n0.000000 3.733478 0.000000\n0.000000 0.000000 14.379102\nSr Ca N\n2 4 4\ndirect\n0.606957 0.250000 0.250000 Sr\n0.393042 0.750000 0.750000 Sr\n0.242268 0.250000 0.931081 Ca\n0.242268 0.250000 0.568919 Ca\n0.757730 0.750000 0.068919 Ca\n0.757730 0.750000 0.431081 Ca\n0.214412 0.250000 0.397451 N\n0.214412 0.250000 0.102549 N\n0.785586 0.750000 0.602549 N\n0.785586 0.750000 0.897451 N\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Sr",
"Ca",
"N"
],
"chemical_system": "Ca-N-Sr",
"density": 3.546643814995702,
"density_atomic": 0.05454429169012347,
"volume": 183.33724190263408,
"volume_molar": 11.040826772878328,
"formula_full": "Sr2 Ca4 N4",
"formula_reduced": "SrCa2N2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.74432673,
"spacegroup": 59
},
{
"id": "jvasp-21540",
"created_at": "2022-09-04T14:36:42.865841Z",
"updated_at": "2022-09-04T14:36:42.865869Z",
"structure_string": "K8 Sb8 F32\n1.0\n4.489703 0.000000 0.000000\n0.000000 11.692525 0.000000\n0.000000 0.000000 16.195802\nK Sb F\n8 8 32\ndirect\n0.618723 0.000000 0.618488 K\n0.618723 0.000000 0.381511 K\n0.381276 0.500000 0.881511 K\n0.381276 0.500000 0.118488 K\n0.000000 0.250000 0.750000 K\n0.000000 0.750000 0.250000 K\n0.000000 0.750000 0.750000 K\n0.000000 0.250000 0.250000 K\n0.067480 0.752268 0.500000 Sb\n0.932520 0.747732 0.000000 Sb\n0.932520 0.252268 0.000000 Sb\n0.067480 0.247732 0.500000 Sb\n0.571019 0.500000 0.654217 Sb\n0.428980 0.000000 0.154217 Sb\n0.428980 0.000000 0.845783 Sb\n0.571019 0.500000 0.345783 Sb\n0.484070 0.620196 0.742047 F\n0.515930 0.879803 0.242047 F\n0.515930 0.120196 0.757953 F\n0.515930 0.120196 0.242047 F\n0.515930 0.879803 0.757953 F\n0.484070 0.620196 0.257953 F\n0.125156 0.132861 0.405327 F\n0.125156 0.867139 0.594672 F\n0.874844 0.632860 0.094673 F\n0.874844 0.367139 0.905327 F\n0.874844 0.367139 0.094673 F\n0.874844 0.632860 0.905327 F\n0.484070 0.379803 0.257953 F\n0.484070 0.379803 0.742047 F\n0.819876 0.350736 0.404189 F\n0.961987 0.500000 0.288412 F\n0.180123 0.850736 0.095811 F\n0.180123 0.149264 0.904189 F\n0.180123 0.149264 0.095811 F\n0.180123 0.850736 0.904189 F\n0.819876 0.649263 0.404189 F\n0.819876 0.350736 0.595811 F\n0.125156 0.867139 0.405327 F\n0.961987 0.500000 0.711588 F\n0.038013 0.000000 0.211588 F\n0.038013 0.000000 0.788412 F\n0.669033 0.170245 0.500000 F\n0.669033 0.829755 0.500000 F\n0.330966 0.670245 0.000000 F\n0.330966 0.329755 0.000000 F\n0.819876 0.649263 0.595811 F\n0.125156 0.132861 0.594672 F\n",
"nsites": 48,
"nelements": 3,
"elements": [
"K",
"Sb",
"F"
],
"chemical_system": "F-K-Sb",
"density": 3.700731716878609,
"density_atomic": 0.056456358046540034,
"volume": 850.2142479759499,
"volume_molar": 10.666895578059824,
"formula_full": "K8 Sb8 F32",
"formula_reduced": "KSbF4",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0,
"spacegroup": 59
},
{
"id": "jvasp-3990",
"created_at": "2022-09-04T14:36:45.829087Z",
"updated_at": "2022-09-04T14:36:45.829097Z",
"structure_string": "Er2 Se2 I2\n1.0\n4.181129 0.000000 0.000000\n0.000000 5.596878 0.000000\n0.000000 0.000000 8.807689\nEr Se I\n2 2 2\ndirect\n0.500000 0.000000 0.874544 Er\n0.000000 0.500000 0.125457 Er\n0.500000 0.500000 0.906939 Se\n0.000000 0.000000 0.093061 Se\n0.000000 0.000000 0.629295 I\n0.500000 0.500000 0.370705 I\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Er",
"Se",
"I"
],
"chemical_system": "Er-I-Se",
"density": 6.012156571621761,
"density_atomic": 0.029110513866611478,
"volume": 206.11109881099506,
"volume_molar": 20.687167487301345,
"formula_full": "Er2 Se2 I2",
"formula_reduced": "ErSeI",
"formula_anonymous": "ABC",
"energy_above_hull": 0.1468765472222221,
"spacegroup": 59
},
{
"id": "jvasp-30573",
"created_at": "2022-09-04T14:36:45.949681Z",
"updated_at": "2022-09-04T14:36:45.949702Z",
"structure_string": "Cr4 O10\n1.0\n3.563120 -0.000028 0.000002\n-0.000051 4.551641 -0.000001\n0.000011 -0.000002 11.086840\nCr O\n4 10\ndirect\n0.018564 0.880892 0.150891 Cr\n0.518576 0.119136 0.349108 Cr\n0.518564 0.119106 0.650892 Cr\n0.018577 0.880867 0.849107 Cr\n0.518569 0.993628 0.182346 O\n0.018572 0.006411 0.317651 O\n0.018564 0.006368 0.682346 O\n0.518577 0.993593 0.817651 O\n0.018582 0.534951 0.853151 O\n0.518562 0.465018 0.646856 O\n0.518579 0.465052 0.353158 O\n0.518572 0.010883 0.499998 O\n0.018569 -0.010883 -0.000002 O\n0.018564 0.534979 0.146849 O\n",
"nsites": 14,
"nelements": 2,
"elements": [
"Cr",
"O"
],
"chemical_system": "Cr-O",
"density": 3.3983272227971724,
"density_atomic": 0.07786132786004699,
"volume": 179.806848724241,
"volume_molar": 7.734443947352898,
"formula_full": "Cr4 O10",
"formula_reduced": "Cr2O5",
"formula_anonymous": "A2B5",
"energy_above_hull": 3.2606389,
"spacegroup": 59
},
{
"id": "jvasp-19881",
"created_at": "2022-09-04T14:36:46.298960Z",
"updated_at": "2022-09-04T14:36:46.298986Z",
"structure_string": "Ta2 Ni6\n1.0\n4.256454 0.000000 0.000000\n0.000000 4.547709 0.000000\n0.000000 0.000000 5.112008\nTa Ni\n2 6\ndirect\n0.500000 0.348296 0.000000 Ta\n0.000000 0.651704 0.500000 Ta\n0.000000 0.679092 0.000000 Ni\n0.500000 0.320908 0.500000 Ni\n0.500000 0.840506 0.249900 Ni\n0.000000 0.159494 0.250100 Ni\n0.500000 0.840506 0.750101 Ni\n0.000000 0.159494 0.749900 Ni\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ta",
"Ni"
],
"chemical_system": "Ni-Ta",
"density": 11.982552246817663,
"density_atomic": 0.08084587220067106,
"volume": 98.95372246269855,
"volume_molar": 7.448915567454307,
"formula_full": "Ta2 Ni6",
"formula_reduced": "TaNi3",
"formula_anonymous": "AB3",
"energy_above_hull": 2.3589741,
"spacegroup": 59
},
{
"id": "jvasp-34639",
"created_at": "2022-09-04T14:36:46.879128Z",
"updated_at": "2022-09-04T14:36:46.879152Z",
"structure_string": "Ca2 Bi2 C2 O8 F2\n1.0\n3.449565 0.000000 0.000000\n0.000000 4.539477 0.000000\n0.000000 0.000000 13.196274\nCa Bi C O F\n2 2 2 8 2\ndirect\n0.500001 0.500000 0.594088 Ca\n0.000000 0.000000 0.405911 Ca\n0.000000 0.000000 0.098188 Bi\n0.500001 0.500000 0.901812 Bi\n0.000000 0.000000 0.737609 C\n0.500001 0.500000 0.262391 C\n0.500001 0.744720 0.309154 O\n0.000000 0.755281 0.690846 O\n0.000000 0.000000 0.837814 O\n0.500001 0.500000 0.162186 O\n0.500001 0.255280 0.309154 O\n0.000000 0.244720 0.690846 O\n0.500001 0.000000 0.993474 O\n0.000000 0.500000 0.006525 O\n0.500001 0.000000 0.521465 F\n0.000000 0.500000 0.478535 F\n",
"nsites": 16,
"nelements": 5,
"elements": [
"Ca",
"Bi",
"C",
"O",
"F"
],
"chemical_system": "Bi-C-Ca-F-O",
"density": 5.529657627361574,
"density_atomic": 0.07742808273986429,
"volume": 206.64337064570384,
"volume_molar": 7.777721657183004,
"formula_full": "Ca2 Bi2 C2 O8 F2",
"formula_reduced": "CaBiCO4F",
"formula_anonymous": "ABCDE4",
"energy_above_hull": 2.0589473753125,
"spacegroup": 59
},
{
"id": "jvasp-11955",
"created_at": "2022-09-04T14:36:47.983594Z",
"updated_at": "2022-09-04T14:36:47.983617Z",
"structure_string": "Nb2 Ni6\n1.0\n4.264577 -0.000000 0.000000\n0.000000 4.563630 0.000000\n0.000000 0.000000 5.125474\nNb Ni\n2 6\ndirect\n0.250000 0.348541 0.749999 Nb\n0.750000 0.651459 0.250000 Nb\n0.250000 0.317589 0.250000 Ni\n0.750000 0.682411 0.749999 Ni\n0.750000 0.159201 0.499642 Ni\n0.250000 0.840799 0.500358 Ni\n0.250000 0.840799 0.999641 Ni\n0.750000 0.159201 0.000358 Ni\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Nb",
"Ni"
],
"chemical_system": "Nb-Ni",
"density": 8.955488587470878,
"density_atomic": 0.08019911308134506,
"volume": 99.7517265793911,
"volume_molar": 7.508986731426582,
"formula_full": "Nb2 Ni6",
"formula_reduced": "NbNi3",
"formula_anonymous": "AB3",
"energy_above_hull": 2.06997665,
"spacegroup": 59
},
{
"id": "jvasp-14178",
"created_at": "2022-09-04T14:36:48.037969Z",
"updated_at": "2022-09-04T14:36:48.037999Z",
"structure_string": "Ti2 Cu6\n1.0\n4.326656 0.000000 0.000000\n0.000000 4.426863 0.000000\n0.000000 0.000000 5.459613\nTi Cu\n2 6\ndirect\n0.500000 0.661868 0.500000 Ti\n0.000000 0.338131 0.000000 Ti\n0.000000 0.831882 0.746078 Cu\n0.500000 0.168117 0.753921 Cu\n0.500000 0.679995 0.000000 Cu\n0.000000 0.320004 0.500000 Cu\n0.500000 0.168117 0.246078 Cu\n0.000000 0.831882 0.253922 Cu\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ti",
"Cu"
],
"chemical_system": "Cu-Ti",
"density": 7.5747145793615,
"density_atomic": 0.076503213650872,
"volume": 104.5707705366285,
"volume_molar": 7.87174874441547,
"formula_full": "Ti2 Cu6",
"formula_reduced": "TiCu3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.6134924208333333,
"spacegroup": 59
},
{
"id": "jvasp-13064",
"created_at": "2022-09-04T14:36:48.364392Z",
"updated_at": "2022-09-04T14:36:48.364422Z",
"structure_string": "Tl4 Au8 S6\n1.0\n4.819376 0.000000 0.000000\n0.000000 7.609536 0.000000\n0.000000 0.000000 12.077758\nTl Au S\n4 8 6\ndirect\n0.729527 0.777683 0.500000 Tl\n0.729527 0.222317 0.500000 Tl\n0.270473 0.722317 0.000000 Tl\n0.270473 0.277683 0.000000 Tl\n0.441742 0.500000 0.659770 Au\n0.000000 0.250000 0.250000 Au\n0.558259 0.000000 0.840231 Au\n0.441742 0.500000 0.340231 Au\n0.000000 0.750000 0.250000 Au\n0.000000 0.750000 0.750000 Au\n0.000000 0.250000 0.750000 Au\n0.558259 0.000000 0.159769 Au\n0.831508 0.000000 0.000000 S\n0.168492 0.500000 0.500000 S\n0.751468 0.500000 0.189836 S\n0.751468 0.500000 0.810165 S\n0.248533 0.000000 0.689836 S\n0.248533 0.000000 0.310164 S\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Tl",
"Au",
"S"
],
"chemical_system": "Au-S-Tl",
"density": 9.693586518742292,
"density_atomic": 0.040638455613522216,
"volume": 442.93021789958476,
"volume_molar": 14.818822883604286,
"formula_full": "Tl4 Au8 S6",
"formula_reduced": "Tl2Au4S3",
"formula_anonymous": "A2B3C4",
"energy_above_hull": 0.7736294977777778,
"spacegroup": 59
},
{
"id": "jvasp-29844",
"created_at": "2022-09-04T14:36:48.563547Z",
"updated_at": "2022-09-04T14:36:48.563583Z",
"structure_string": "Fe2 H2 O4\n1.0\n3.849370 0.000000 0.000000\n0.000000 5.634187 0.717523\n0.000000 -6.009570 2.214406\nFe H O\n2 2 4\ndirect\n0.250000 0.889256 0.250210 Fe\n0.750000 0.110745 0.749790 Fe\n0.250000 0.769778 0.750779 H\n0.750000 0.230223 0.249221 H\n0.250000 0.162531 0.749925 O\n0.750000 0.837470 0.250075 O\n0.250000 0.596502 0.750464 O\n0.750000 0.403499 0.249536 O\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Fe",
"H",
"O"
],
"chemical_system": "Fe-H-O",
"density": 4.566111637288475,
"density_atomic": 0.12379168720895235,
"volume": 64.62469476239158,
"volume_molar": 4.864737605389461,
"formula_full": "Fe2 H2 O4",
"formula_reduced": "FeHO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.418683125,
"spacegroup": 59
},
{
"id": "jvasp-30577",
"created_at": "2022-09-04T14:36:49.073588Z",
"updated_at": "2022-09-04T14:36:49.073609Z",
"structure_string": "Ti8 O16\n1.0\n5.183224 0.000000 0.000000\n-0.000000 5.987273 0.000000\n0.000000 0.000000 9.887576\nTi O\n8 16\ndirect\n0.493252 0.750000 0.486338 Ti\n0.493252 0.750000 0.013662 Ti\n0.506747 0.250000 0.513662 Ti\n0.506747 0.250000 0.986338 Ti\n0.000000 0.500000 0.500000 Ti\n0.000000 0.000000 0.000000 Ti\n0.000000 0.000000 0.500000 Ti\n0.000000 0.500000 0.000000 Ti\n0.333056 0.001059 0.098236 O\n0.333056 0.498941 0.401764 O\n0.333056 0.498941 0.098236 O\n0.333056 0.001059 0.401764 O\n0.666944 0.998940 0.901764 O\n0.666944 0.501059 0.598236 O\n0.832951 0.250000 0.095611 O\n0.166598 0.250000 0.900484 O\n0.167048 0.750000 0.904389 O\n0.167048 0.750000 0.595611 O\n0.666944 0.998940 0.598236 O\n0.166598 0.250000 0.599517 O\n0.833401 0.750000 0.099517 O\n0.833401 0.750000 0.400483 O\n0.832951 0.250000 0.404389 O\n0.666944 0.501059 0.901764 O\n",
"nsites": 24,
"nelements": 2,
"elements": [
"Ti",
"O"
],
"chemical_system": "O-Ti",
"density": 3.4576502180191953,
"density_atomic": 0.07821541755902556,
"volume": 306.8448746935131,
"volume_molar": 7.6994292787037395,
"formula_full": "Ti8 O16",
"formula_reduced": "TiO2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.5372617777777782,
"spacegroup": 59
},
{
"id": "jvasp-12027",
"created_at": "2022-09-04T14:36:49.756174Z",
"updated_at": "2022-09-04T14:36:49.756189Z",
"structure_string": "Zr2 Br2 N2\n1.0\n3.628891 0.000000 0.000000\n0.000000 4.131749 0.000000\n0.000000 0.000000 8.725349\nZr Br N\n2 2 2\ndirect\n0.000000 0.500000 0.101852 Zr\n0.500000 0.000000 0.898149 Zr\n0.000000 0.000000 0.658692 Br\n0.500000 0.500000 0.341308 Br\n0.000000 0.000000 0.032722 N\n0.500000 0.500000 0.967278 N\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Zr",
"Br",
"N"
],
"chemical_system": "Br-N-Zr",
"density": 4.699766253191314,
"density_atomic": 0.04586280247667782,
"volume": 130.82497527383163,
"volume_molar": 13.13077360037556,
"formula_full": "Zr2 Br2 N2",
"formula_reduced": "ZrBrN",
"formula_anonymous": "ABC",
"energy_above_hull": 2.1862739516666663,
"spacegroup": 59
}
]
}