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=-updated_at&page=491",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-updated_at&page=489",
"results": [
{
"id": "jvasp-111524",
"created_at": "2022-09-04T14:38:40.882696Z",
"updated_at": "2022-09-04T14:38:40.882720Z",
"structure_string": "Er4 Mn1 S7\n1.0\n6.117520 -0.041585 1.493873\n5.007821 3.513902 1.493873\n-0.048306 -0.015077 11.161020\nEr Mn S\n4 1 7\ndirect\n0.699332 0.699330 0.210543 Er\n0.305396 0.305395 0.795490 Er\n0.105788 0.105787 0.557578 Er\n0.000696 0.000696 0.009575 Er\n0.891384 0.891380 0.431821 Mn\n0.030716 0.030715 0.236595 S\n0.966908 0.966904 0.782898 S\n0.337081 0.337080 0.053576 S\n0.661320 0.661316 0.945356 S\n0.746003 0.746000 0.628441 S\n0.278778 0.278776 0.357740 S\n0.476608 0.476606 0.490383 S\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Er",
"Mn",
"S"
],
"chemical_system": "Er-Mn-S",
"density": 6.493718391864542,
"density_atomic": 0.04947898181476298,
"volume": 242.52722186008234,
"volume_molar": 12.17110890144304,
"formula_full": "Er4 Mn1 S7",
"formula_reduced": "Er4MnS7",
"formula_anonymous": "AB4C7",
"energy_above_hull": 2.181436436781609,
"spacegroup": 8
},
{
"id": "jvasp-111673",
"created_at": "2022-09-04T14:38:40.878886Z",
"updated_at": "2022-09-04T14:38:40.878907Z",
"structure_string": "Tb4 Mo4 C8\n1.0\n3.409430 -0.000000 0.000000\n-0.000000 5.727858 0.000000\n0.000000 0.000000 10.813026\nTb Mo C\n4 4 8\ndirect\n0.250000 0.087690 0.862550 Tb\n0.250000 0.587690 0.637450 Tb\n0.750000 0.912311 0.137450 Tb\n0.750000 0.412311 0.362550 Tb\n0.250000 0.402053 0.110036 Mo\n0.250000 0.902053 0.389965 Mo\n0.750000 0.597947 0.889965 Mo\n0.750000 0.097947 0.610036 Mo\n0.250000 0.158027 0.247417 C\n0.250000 0.658027 0.252583 C\n0.750000 0.841974 0.752583 C\n0.750000 0.341974 0.747418 C\n0.250000 0.720865 0.982575 C\n0.250000 0.220865 0.517426 C\n0.750000 0.279136 0.017426 C\n0.750000 0.779136 0.482574 C\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Tb",
"Mo",
"C"
],
"chemical_system": "C-Mo-Tb",
"density": 8.772344968749199,
"density_atomic": 0.07577024898506912,
"volume": 211.16467497886768,
"volume_molar": 7.947896226639946,
"formula_full": "Tb4 Mo4 C8",
"formula_reduced": "TbMoC2",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.773681075000001,
"spacegroup": 62
},
{
"id": "jvasp-112450",
"created_at": "2022-09-04T14:38:40.878427Z",
"updated_at": "2022-09-04T14:38:40.878454Z",
"structure_string": "Fe6 O10 F2\n1.0\n2.859025 -0.000000 0.000000\n0.000000 4.370946 0.175296\n-0.000000 -0.055433 13.096023\nFe O F\n6 10 2\ndirect\n0.000000 0.000000 0.000000 Fe\n0.000000 0.021565 0.342116 Fe\n-0.000000 0.978437 0.657884 Fe\n0.500001 0.472779 0.158457 Fe\n0.500001 0.500001 0.500000 Fe\n0.500001 0.527222 0.841543 Fe\n0.500001 0.203110 0.400869 O\n0.500001 0.185520 0.065325 O\n-0.000000 0.313817 0.900216 O\n-0.000000 0.298365 0.565040 O\n-0.000000 0.297667 0.232329 O\n-0.000000 0.686185 0.099784 O\n-0.000000 0.702334 0.767671 O\n0.500001 0.814481 0.934675 O\n0.500001 0.796892 0.599131 O\n-0.000000 0.701637 0.434960 O\n0.500001 0.800147 0.268475 F\n0.500001 0.199854 0.731525 F\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Fe",
"O",
"F"
],
"chemical_system": "F-Fe-O",
"density": 5.407783648877789,
"density_atomic": 0.10996790819389889,
"volume": 163.68411744508072,
"volume_molar": 5.476271085725819,
"formula_full": "Fe6 O10 F2",
"formula_reduced": "Fe3O5F",
"formula_anonymous": "AB3C5",
"energy_above_hull": 2.7461771425,
"spacegroup": 10
},
{
"id": "jvasp-111770",
"created_at": "2022-09-04T14:38:40.877544Z",
"updated_at": "2022-09-04T14:38:40.877568Z",
"structure_string": "Th1 Nb4 O12\n1.0\n5.605487 0.000000 0.000000\n0.000000 5.591278 0.000000\n0.000000 0.000000 7.867601\nTh Nb O\n1 4 12\ndirect\n0.764091 0.500000 0.000000 Th\n0.266799 0.500000 0.256774 Nb\n0.763634 0.000000 0.260768 Nb\n0.763634 0.000000 0.739232 Nb\n0.266799 0.500000 0.743226 Nb\n0.802822 0.000000 0.000000 O\n0.169208 0.500000 0.000000 O\n0.985012 0.737087 0.736343 O\n0.985012 0.262913 0.736343 O\n0.985012 0.737087 0.263657 O\n0.509413 0.735496 0.804816 O\n0.312465 0.500000 0.500000 O\n0.509413 0.264505 0.804816 O\n0.509413 0.735496 0.195184 O\n0.509413 0.264505 0.195184 O\n0.985012 0.262913 0.263657 O\n0.669152 0.000000 0.500000 O\n",
"nsites": 17,
"nelements": 3,
"elements": [
"Th",
"Nb",
"O"
],
"chemical_system": "Nb-O-Th",
"density": 5.358063847049757,
"density_atomic": 0.06894172706634692,
"volume": 246.58506137567224,
"volume_molar": 8.735117346573752,
"formula_full": "Th1 Nb4 O12",
"formula_reduced": "ThNb4O12",
"formula_anonymous": "AB4C12",
"energy_above_hull": 3.8287438352941177,
"spacegroup": 25
},
{
"id": "jvasp-101468",
"created_at": "2022-09-04T14:38:40.877398Z",
"updated_at": "2022-09-04T14:38:40.877425Z",
"structure_string": "Bi2 Sb2 Te3 Se3\n1.0\n4.202424 -0.023185 19.751461\n2.058244 3.663951 19.751461\n-0.039868 -0.023185 20.193538\nBi Sb Te Se\n2 2 3 3\ndirect\n0.199874 0.199875 0.199875 Bi\n0.695621 0.695625 0.695624 Bi\n0.300649 0.300650 0.300650 Sb\n0.804812 0.804817 0.804816 Sb\n0.392751 0.392753 0.392752 Te\n0.605191 0.605194 0.605193 Te\n0.109154 0.109155 0.109154 Te\n0.997796 0.997802 0.997801 Se\n0.501840 0.501843 0.501843 Se\n0.892292 0.892297 0.892296 Se\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Bi",
"Sb",
"Te",
"Se"
],
"chemical_system": "Bi-Sb-Se-Te",
"density": 6.73705653292777,
"density_atomic": 0.031667767826949786,
"volume": 315.7784929662721,
"volume_molar": 19.016625336235606,
"formula_full": "Bi2 Sb2 Te3 Se3",
"formula_reduced": "Bi2Sb2(TeSe)3",
"formula_anonymous": "A2B2C3D3",
"energy_above_hull": 1.40191742,
"spacegroup": 160
},
{
"id": "jvasp-116035",
"created_at": "2022-09-04T14:38:40.877160Z",
"updated_at": "2022-09-04T14:38:40.877185Z",
"structure_string": "P1 N1 F2\n1.0\n3.283064 -0.000000 -0.000000\n0.000000 3.283064 0.000000\n0.000000 0.000000 4.405740\nP N F\n1 1 2\ndirect\n0.499999 0.499999 0.293877 P\n0.000000 0.000000 0.367965 N\n0.000000 0.000000 0.699106 F\n0.499999 0.499999 0.649052 F\n",
"nsites": 4,
"nelements": 3,
"elements": [
"P",
"N",
"F"
],
"chemical_system": "F-N-P",
"density": 2.9015540784266087,
"density_atomic": 0.08423303117110376,
"volume": 47.48730924659167,
"volume_molar": 7.149381514915614,
"formula_full": "P1 N1 F2",
"formula_reduced": "PNF2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.86470732875,
"spacegroup": 99
},
{
"id": "jvasp-114428",
"created_at": "2022-09-04T14:38:40.871805Z",
"updated_at": "2022-09-04T14:38:40.871829Z",
"structure_string": "As1 S1 F2\n1.0\n3.751008 0.000000 -0.000000\n0.000000 3.751008 0.000000\n-0.000000 -0.000000 4.549795\nAs S F\n1 1 2\ndirect\n0.500000 0.500000 0.785847 As\n0.000000 0.000000 0.727446 S\n0.000000 0.000000 0.108970 F\n0.500000 0.500000 0.387735 F\n",
"nsites": 4,
"nelements": 3,
"elements": [
"As",
"S",
"F"
],
"chemical_system": "As-F-S",
"density": 3.760794360174679,
"density_atomic": 0.0624844830910601,
"volume": 64.0158932605829,
"volume_molar": 9.637818002309139,
"formula_full": "As1 S1 F2",
"formula_reduced": "AsSF2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.7367930787499999,
"spacegroup": 99
},
{
"id": "jvasp-111741",
"created_at": "2022-09-04T14:38:40.871338Z",
"updated_at": "2022-09-04T14:38:40.871366Z",
"structure_string": "La1 Ta2 Cu1 Br1 O7\n1.0\n3.917052 0.000000 -0.000000\n0.000000 3.917052 -0.000000\n0.000000 0.000000 11.774711\nLa Ta Cu Br O\n1 2 1 1 7\ndirect\n0.500000 0.500000 0.000000 La\n0.000000 0.000000 0.190586 Ta\n0.000000 0.000000 0.809414 Ta\n0.000000 0.000000 0.500000 Cu\n0.500000 0.500000 0.500000 Br\n0.000000 0.500000 0.154215 O\n0.000000 0.500000 0.845785 O\n0.500000 0.000000 0.154215 O\n0.500000 0.000000 0.845785 O\n0.000000 0.000000 0.343570 O\n0.000000 0.000000 0.656429 O\n0.000000 0.000000 0.000000 O\n",
"nsites": 12,
"nelements": 5,
"elements": [
"La",
"Ta",
"Cu",
"Br",
"O"
],
"chemical_system": "Br-Cu-La-O-Ta",
"density": 6.950944950482359,
"density_atomic": 0.06642205617063794,
"volume": 180.66288055238846,
"volume_molar": 9.066477473279582,
"formula_full": "La1 Ta2 Cu1 Br1 O7",
"formula_reduced": "LaTa2CuBrO7",
"formula_anonymous": "ABCD2E7",
"energy_above_hull": 2.997367704583333,
"spacegroup": 123
},
{
"id": "jvasp-116241",
"created_at": "2022-09-04T14:38:40.868758Z",
"updated_at": "2022-09-04T14:38:40.868787Z",
"structure_string": "Li2 As1\n1.0\n4.162958 0.000000 0.000000\n0.000000 2.977871 0.000000\n0.000000 0.000000 5.759054\nLi As\n2 1\ndirect\n-0.033329 0.000000 0.770906 Li\n-0.033329 0.000000 0.229094 Li\n0.466657 0.000000 0.000000 As\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Li",
"As"
],
"chemical_system": "As-Li",
"density": 2.065478168559418,
"density_atomic": 0.04202059467883172,
"volume": 71.39356363062798,
"volume_molar": 14.331402984721946,
"formula_full": "Li2 As1",
"formula_reduced": "Li2As",
"formula_anonymous": "AB2",
"energy_above_hull": 1.035200583333333,
"spacegroup": 47
},
{
"id": "jvasp-112465",
"created_at": "2022-09-04T14:38:40.867294Z",
"updated_at": "2022-09-04T14:38:40.867316Z",
"structure_string": "Ti4 Os8\n1.0\n5.141189 -0.000000 0.000000\n-2.570595 4.452400 0.000000\n0.000000 0.000000 8.357261\nTi Os\n4 8\ndirect\n0.333333 0.666667 0.430396 Ti\n0.666666 0.333333 0.569604 Ti\n0.666666 0.333333 0.930396 Ti\n0.333333 0.666667 0.069604 Ti\n0.000000 0.000000 0.500000 Os\n0.000000 0.000000 0.000000 Os\n0.826381 0.173619 0.250000 Os\n0.826380 0.652760 0.250000 Os\n0.347240 0.173619 0.250000 Os\n0.173619 0.826381 0.750000 Os\n0.173619 0.347240 0.750000 Os\n0.652760 0.826381 0.750000 Os\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Ti",
"Os"
],
"chemical_system": "Os-Ti",
"density": 14.871775846196556,
"density_atomic": 0.06272772498202105,
"volume": 191.30296855879,
"volume_molar": 9.600445037224064,
"formula_full": "Ti4 Os8",
"formula_reduced": "TiOs2",
"formula_anonymous": "AB2",
"energy_above_hull": 4.593359444444445,
"spacegroup": 194
},
{
"id": "jvasp-112397",
"created_at": "2022-09-04T14:38:40.862106Z",
"updated_at": "2022-09-04T14:38:40.862141Z",
"structure_string": "Mn6 Cr4 N8\n1.0\n6.049464 -0.057647 -0.377530\n-3.406327 5.499444 -0.000000\n0.023247 0.014399 5.386984\nMn Cr N\n6 4 8\ndirect\n0.360905 0.086593 0.948682 Mn\n0.639094 0.725686 0.551317 Mn\n0.639094 0.913406 0.051317 Mn\n0.360904 0.274312 0.448682 Mn\n-0.000000 0.675213 0.749999 Mn\n-0.000000 0.324786 0.250000 Mn\n0.684399 0.488591 0.131944 Cr\n0.315599 0.804191 0.368055 Cr\n0.684400 0.195808 0.631944 Cr\n0.315599 0.511408 0.868055 Cr\n0.262511 0.753211 0.021122 N\n0.278963 0.992709 0.608823 N\n0.721035 0.713745 0.891176 N\n0.721035 0.007290 0.391177 N\n0.278964 0.286254 0.108823 N\n0.737487 0.246788 0.978878 N\n0.262512 0.509300 0.521121 N\n0.737487 0.490699 0.478878 N\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Mn",
"Cr",
"N"
],
"chemical_system": "Cr-Mn-N",
"density": 6.0529384070953105,
"density_atomic": 0.10099487664816445,
"volume": 178.22686256359862,
"volume_molar": 5.962818075395363,
"formula_full": "Mn6 Cr4 N8",
"formula_reduced": "Mn3(CrN2)2",
"formula_anonymous": "A2B3C4",
"energy_above_hull": 5.601891058237548,
"spacegroup": 15
},
{
"id": "jvasp-114351",
"created_at": "2022-09-04T14:38:40.861115Z",
"updated_at": "2022-09-04T14:38:40.861140Z",
"structure_string": "Na1 Mg1 O1\n1.0\n7.376019 0.727556 0.000000\n1.554336 2.680735 0.000000\n0.000000 0.000000 3.760892\nNa Mg O\n1 1 1\ndirect\n0.353708 0.229648 0.000000 Na\n-0.102987 -0.127689 0.000000 Mg\n0.076347 0.121266 0.000000 O\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Na",
"Mg",
"O"
],
"chemical_system": "Mg-Na-O",
"density": 1.4990729842991262,
"density_atomic": 0.04278891070113921,
"volume": 70.11162356886379,
"volume_molar": 14.07406886812771,
"formula_full": "Na1 Mg1 O1",
"formula_reduced": "NaMgO",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0,
"spacegroup": 6
}
]
}