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=created_at&page=4104",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=created_at&page=4102",
"results": [
{
"id": "jvasp-110534",
"created_at": "2022-09-04T14:38:39.066371Z",
"updated_at": "2022-09-04T14:38:39.066402Z",
"structure_string": "Ti3 V1 S6\n1.0\n5.237318 -0.061451 3.956041\n1.935200 4.867061 3.956041\n-0.091717 -0.061451 6.562877\nTi V S\n3 1 6\ndirect\n0.000000 0.000000 0.000000 Ti\n0.334033 0.334033 0.334033 Ti\n0.665967 0.665967 0.665967 Ti\n0.500000 0.500000 0.500000 V\n0.914114 0.581343 0.244106 S\n0.581343 0.244106 0.914115 S\n0.244106 0.914114 0.581344 S\n0.755894 0.085886 0.418657 S\n0.418657 0.755894 0.085886 S\n0.085886 0.418657 0.755895 S\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Ti",
"V",
"S"
],
"chemical_system": "S-Ti-V",
"density": 3.7648601601922214,
"density_atomic": 0.0585955375530069,
"volume": 170.66146019999843,
"volume_molar": 10.277473356315284,
"formula_full": "Ti3 V1 S6",
"formula_reduced": "Ti3VS6",
"formula_anonymous": "AB3C6",
"energy_above_hull": 3.11794292,
"spacegroup": 148
},
{
"id": "jvasp-110983",
"created_at": "2022-09-04T14:38:39.066717Z",
"updated_at": "2022-09-04T14:38:39.066736Z",
"structure_string": "Tb1 Bi1 Te3\n1.0\n4.300446 -0.004301 9.878805\n2.053532 3.778473 9.878805\n-0.007241 -0.004301 10.774256\nTb Bi Te\n1 1 3\ndirect\n0.601264 0.601263 0.601262 Tb\n0.399611 0.399610 0.399610 Bi\n0.995957 0.995956 0.995955 Te\n0.787398 0.787397 0.787397 Te\n0.215773 0.215773 0.215773 Te\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Tb",
"Bi",
"Te"
],
"chemical_system": "Bi-Tb-Te",
"density": 7.101647328727529,
"density_atomic": 0.028484609220226817,
"volume": 175.53338932413783,
"volume_molar": 21.141735571796787,
"formula_full": "Tb1 Bi1 Te3",
"formula_reduced": "TbBiTe3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.9132572,
"spacegroup": 160
},
{
"id": "jvasp-110987",
"created_at": "2022-09-04T14:38:39.067906Z",
"updated_at": "2022-09-04T14:38:39.067943Z",
"structure_string": "Tb2 Al3 Fe1\n1.0\n4.740872 0.002248 2.565625\n1.529796 4.487270 2.565625\n0.003140 0.002248 5.390573\nTb Al Fe\n2 3 1\ndirect\n0.626319 0.626320 0.626318 Tb\n0.373681 0.373681 0.373680 Tb\n0.000000 0.500000 -0.000001 Al\n0.500000 0.000000 -0.000000 Al\n-0.000000 0.000000 0.500000 Al\n0.000000 0.000000 0.000000 Fe\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Tb",
"Al",
"Fe"
],
"chemical_system": "Al-Fe-Tb",
"density": 6.587474470611371,
"density_atomic": 0.05235439596969966,
"volume": 114.60355694816013,
"volume_molar": 11.502645858974939,
"formula_full": "Tb2 Al3 Fe1",
"formula_reduced": "Tb2Al3Fe",
"formula_anonymous": "AB2C3",
"energy_above_hull": 2.0299034500000004,
"spacegroup": 166
},
{
"id": "jvasp-111062",
"created_at": "2022-09-04T14:38:39.068885Z",
"updated_at": "2022-09-04T14:38:39.068915Z",
"structure_string": "Er2 Co3 Cu1\n1.0\n4.359941 0.000000 2.476847\n-2.883509 4.102345 0.000000\n0.011939 0.008392 5.054765\nEr Co Cu\n2 3 1\ndirect\n0.505503 0.752752 0.741746 Er\n0.994498 0.997250 0.008254 Er\n0.250000 0.375000 0.375000 Co\n0.250000 0.875001 0.375000 Co\n0.750000 0.375000 0.375000 Co\n0.750000 0.375000 0.875000 Cu\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Er",
"Co",
"Cu"
],
"chemical_system": "Co-Cu-Er",
"density": 10.579658526709512,
"density_atomic": 0.06649806443655304,
"volume": 90.22819011107767,
"volume_molar": 9.056114356149163,
"formula_full": "Er2 Co3 Cu1",
"formula_reduced": "Er2Co3Cu",
"formula_anonymous": "AB2C3",
"energy_above_hull": 2.202595525,
"spacegroup": 166
},
{
"id": "jvasp-111831",
"created_at": "2022-09-04T14:38:39.069511Z",
"updated_at": "2022-09-04T14:38:39.069531Z",
"structure_string": "Ba1 Be2 P2 O8\n1.0\n5.093966 0.000000 0.000000\n-2.546983 4.411504 0.000000\n0.000000 0.000000 7.452438\nBa Be P O\n1 2 2 8\ndirect\n0.000000 0.000000 0.000000 Ba\n0.666668 0.333333 0.297012 Be\n0.333333 0.666666 0.702989 Be\n0.333333 0.666666 0.289656 P\n0.666668 0.333333 0.710344 P\n0.666668 0.333333 0.508503 O\n0.333333 0.666666 0.491497 O\n0.495898 0.991795 0.209705 O\n0.008204 0.504102 0.209705 O\n0.495898 0.504102 0.209705 O\n0.504103 0.008204 0.790296 O\n0.991797 0.495897 0.790296 O\n0.504103 0.495897 0.790296 O\n",
"nsites": 13,
"nelements": 4,
"elements": [
"Ba",
"Be",
"P",
"O"
],
"chemical_system": "Ba-Be-O-P",
"density": 3.4237114018259733,
"density_atomic": 0.0776251158626832,
"volume": 167.47156967851308,
"volume_molar": 7.757979737708875,
"formula_full": "Ba1 Be2 P2 O8",
"formula_reduced": "BaBe2(PO4)2",
"formula_anonymous": "AB2C2D8",
"energy_above_hull": 2.4896043976923075,
"spacegroup": 164
},
{
"id": "jvasp-110535",
"created_at": "2022-09-04T14:38:39.069548Z",
"updated_at": "2022-09-04T14:38:39.069563Z",
"structure_string": "Ti3 Fe1 S6\n1.0\n5.206453 -0.010518 3.870788\n1.939740 4.831633 3.870788\n-0.015591 -0.010518 6.487674\nTi Fe S\n3 1 6\ndirect\n0.000000 0.000000 0.000000 Ti\n0.329555 0.329555 0.329555 Ti\n0.670445 0.670444 0.670445 Ti\n0.500000 0.499999 0.500000 Fe\n0.904143 0.581201 0.249584 S\n0.581202 0.249583 0.904143 S\n0.249584 0.904142 0.581202 S\n0.750416 0.095857 0.418798 S\n0.418798 0.750416 0.095858 S\n0.095857 0.418797 0.750416 S\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Ti",
"Fe",
"S"
],
"chemical_system": "Fe-S-Ti",
"density": 3.9732626707776055,
"density_atomic": 0.06106520862846989,
"volume": 163.75936846202453,
"volume_molar": 9.861819676470164,
"formula_full": "Ti3 Fe1 S6",
"formula_reduced": "Ti3FeS6",
"formula_anonymous": "AB3C6",
"energy_above_hull": 3.01650305,
"spacegroup": 148
},
{
"id": "jvasp-30794",
"created_at": "2022-09-04T14:38:39.081312Z",
"updated_at": "2022-09-04T14:38:39.081329Z",
"structure_string": "Sb4 O8\n1.0\n7.119675 -0.357488 -0.252781\n3.250245 5.629589 0.000000\n3.250246 1.876529 5.307628\nSb O\n4 8\ndirect\n0.291447 0.236185 0.236185 Sb\n0.633398 0.108555 0.629024 Sb\n0.633398 0.629024 0.108555 Sb\n0.633398 0.629024 0.629024 Sb\n0.446569 0.351142 0.351142 O\n0.446569 0.351142 0.851147 O\n0.446570 0.851147 0.351142 O\n0.778885 0.407038 0.407039 O\n0.437146 0.854284 0.854285 O\n0.794993 0.433817 0.885596 O\n0.794994 0.885595 0.433818 O\n0.794994 0.885595 0.885596 O\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Sb",
"O"
],
"chemical_system": "O-Sb",
"density": 4.600720625645922,
"density_atomic": 0.054057759064163484,
"volume": 221.98478456638728,
"volume_molar": 11.140196826975497,
"formula_full": "Sb4 O8",
"formula_reduced": "SbO2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.534424366666667,
"spacegroup": 160
},
{
"id": "jvasp-111072",
"created_at": "2022-09-04T14:38:39.088877Z",
"updated_at": "2022-09-04T14:38:39.088899Z",
"structure_string": "Er4 Th1 C1 N4\n1.0\n3.466578 -0.000804 -12.121957\n-0.068891 3.465893 -12.121957\n0.000788 0.000804 12.607895\nEr Th C N\n4 1 1 4\ndirect\n0.893130 0.893129 0.000001 Er\n0.297975 0.297975 0.000000 Er\n0.702026 0.702026 0.000001 Er\n0.106871 0.106871 0.000000 Er\n0.500000 0.500000 0.000000 Th\n0.000000 0.000000 0.000000 C\n0.395803 0.395803 0.000000 N\n0.798613 0.798613 0.000001 N\n0.201388 0.201388 0.000000 N\n0.604198 0.604197 0.000000 N\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Er",
"Th",
"C",
"N"
],
"chemical_system": "C-Er-N-Th",
"density": 10.618727591615277,
"density_atomic": 0.06598566657372437,
"volume": 151.54806368178782,
"volume_molar": 9.126437713971702,
"formula_full": "Er4 Th1 C1 N4",
"formula_reduced": "Er4ThCN4",
"formula_anonymous": "ABC4D4",
"energy_above_hull": 4.08729486,
"spacegroup": 139
},
{
"id": "jvasp-111839",
"created_at": "2022-09-04T14:38:39.099634Z",
"updated_at": "2022-09-04T14:38:39.099656Z",
"structure_string": "Tb4 Mg2 Se8\n1.0\n7.138753 -0.000000 4.121561\n2.379585 6.730481 4.121561\n0.000000 0.000000 8.243123\nTb Mg Se\n4 2 8\ndirect\n0.625000 0.125000 0.625000 Tb\n0.624999 0.625000 0.125000 Tb\n0.125000 0.625000 0.625000 Tb\n0.624999 0.625000 0.625000 Tb\n0.000000 0.000000 0.000000 Mg\n0.250000 0.250000 0.250000 Mg\n0.378957 0.378958 0.378958 Se\n0.863127 0.378958 0.378958 Se\n0.378957 0.863127 0.378958 Se\n0.378957 0.378958 0.863127 Se\n0.871041 0.871042 0.386873 Se\n0.871041 0.386873 0.871042 Se\n0.386872 0.871042 0.871042 Se\n0.871041 0.871042 0.871042 Se\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Tb",
"Mg",
"Se"
],
"chemical_system": "Mg-Se-Tb",
"density": 5.517494515555809,
"density_atomic": 0.03534824017646525,
"volume": 396.0593209197769,
"volume_molar": 17.036606999206494,
"formula_full": "Tb4 Mg2 Se8",
"formula_reduced": "Tb2MgSe4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 0.9813441880952384,
"spacegroup": 227
},
{
"id": "jvasp-110375",
"created_at": "2022-09-04T14:38:39.103769Z",
"updated_at": "2022-09-04T14:38:39.103789Z",
"structure_string": "Rb3 Ta1 F6\n1.0\n5.758443 0.000000 3.324638\n1.919481 5.429112 3.324638\n0.000000 0.000000 6.649277\nRb Ta F\n3 1 6\ndirect\n0.750000 0.750000 0.750001 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500001 Rb\n0.000000 0.000000 0.000000 Ta\n0.778920 0.221079 0.221080 F\n0.221079 0.221079 0.778921 F\n0.221079 0.778920 0.778921 F\n0.221079 0.778920 0.221080 F\n0.778920 0.221079 0.778921 F\n0.778920 0.778920 0.221080 F\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Rb",
"Ta",
"F"
],
"chemical_system": "F-Rb-Ta",
"density": 4.404145304049615,
"density_atomic": 0.04810516417700579,
"volume": 207.87788943416572,
"volume_molar": 12.518699110642627,
"formula_full": "Rb3 Ta1 F6",
"formula_reduced": "Rb3TaF6",
"formula_anonymous": "AB3C6",
"energy_above_hull": 0.0822140895000007,
"spacegroup": 225
},
{
"id": "jvasp-110560",
"created_at": "2022-09-04T14:38:39.109092Z",
"updated_at": "2022-09-04T14:38:39.109112Z",
"structure_string": "Na3 Br1 Cl2\n1.0\n4.045913 -0.000000 0.000000\n-2.022956 3.503863 -0.000000\n0.000000 0.000000 9.908687\nNa Br Cl\n3 1 2\ndirect\n0.000000 0.000000 0.500000 Na\n0.333332 0.666666 0.178262 Na\n0.666666 0.333333 0.821739 Na\n0.000000 0.000000 0.000000 Br\n0.333332 0.666666 0.660822 Cl\n0.666666 0.333333 0.339179 Cl\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Na",
"Br",
"Cl"
],
"chemical_system": "Br-Cl-Na",
"density": 2.59810160960611,
"density_atomic": 0.042714121982660794,
"volume": 140.46876586707359,
"volume_molar": 14.098711340583343,
"formula_full": "Na3 Br1 Cl2",
"formula_reduced": "Na3BrCl2",
"formula_anonymous": "AB2C3",
"energy_above_hull": 0.0027183333333333,
"spacegroup": 164
},
{
"id": "jvasp-111843",
"created_at": "2022-09-04T14:38:39.111455Z",
"updated_at": "2022-09-04T14:38:39.111481Z",
"structure_string": "Hf2 Cr2 Ag2 S8\n1.0\n6.450503 0.034247 -3.558295\n-2.171389 6.014021 -3.658996\n-0.026958 -0.034247 7.366799\nHf Cr Ag S\n2 2 2 8\ndirect\n0.750000 0.750112 0.000111 Hf\n0.250000 0.749888 0.499887 Hf\n0.249981 0.250000 0.499981 Cr\n0.250019 0.750000 0.000018 Cr\n0.862321 0.112321 0.749999 Ag\n0.637678 0.387679 0.249999 Ag\n0.469392 0.505359 0.963983 S\n0.487020 0.501681 0.514736 S\n0.041374 0.505408 0.536015 S\n0.486944 0.972284 0.985262 S\n0.030607 0.994591 0.035964 S\n0.012979 0.527715 0.014660 S\n0.458625 0.994641 0.464034 S\n0.013055 0.998319 0.485339 S\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Hf",
"Cr",
"Ag",
"S"
],
"chemical_system": "Ag-Cr-Hf-S",
"density": 5.443428569577795,
"density_atomic": 0.04917715799115451,
"volume": 284.6850158058784,
"volume_molar": 12.245808838898746,
"formula_full": "Hf2 Cr2 Ag2 S8",
"formula_reduced": "HfCrAgS4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.7188039514285727,
"spacegroup": 74
}
]
}