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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-density_atomic&page=3580",
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"results": [
{
"id": "jvasp-13157",
"created_at": "2022-09-04T14:36:51.342124Z",
"updated_at": "2022-09-04T14:36:51.342152Z",
"structure_string": "Pr8 Se6 N4\n1.0\n6.507497 -0.019315 -0.014679\n-0.021884 8.132406 2.081127\n-0.031811 -0.010454 8.394431\nPr Se N\n8 6 4\ndirect\n0.969724 0.308248 0.942716 Pr\n0.030277 0.691754 0.057284 Pr\n0.469724 0.942717 0.308247 Pr\n0.929947 0.745102 0.584272 Pr\n0.570055 0.415728 0.254899 Pr\n0.070055 0.254900 0.415728 Pr\n0.429946 0.584273 0.745100 Pr\n0.530277 0.057284 0.691753 Pr\n0.465392 0.245453 0.984194 Se\n0.250001 0.596318 0.403683 Se\n0.534609 0.754549 0.015806 Se\n0.750001 0.403684 0.596317 Se\n0.965392 0.984195 0.245452 Se\n0.034609 0.015806 0.754548 Se\n0.914904 0.418336 0.170461 N\n0.414904 0.170462 0.418335 N\n0.085097 0.581665 0.829539 N\n0.585097 0.829540 0.581665 N\n",
"nsites": 18,
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"elements": [
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],
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"density": 6.1919500248950685,
"density_atomic": 0.040505664504010545,
"volume": 444.3822912278796,
"volume_molar": 14.867403939031133,
"formula_full": "Pr8 Se6 N4",
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"formula_anonymous": "A2B3C4",
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"spacegroup": 15
},
{
"id": "jvasp-23848",
"created_at": "2022-09-04T14:37:42.487679Z",
"updated_at": "2022-09-04T14:37:42.487700Z",
"structure_string": "Sr1 Sb12 Ru4\n1.0\n7.702103 -0.000000 -2.723105\n-3.851052 6.670218 -2.723105\n-0.000000 -0.000000 8.169315\nSr Sb Ru\n1 12 4\ndirect\n0.000000 0.000000 0.000000 Sr\n0.658515 0.841455 0.499968 Sb\n0.158546 0.500031 0.341485 Sb\n0.500031 0.341485 0.158545 Sb\n0.817059 0.658515 0.158545 Sb\n0.841454 0.182941 0.341484 Sb\n0.499969 0.658515 0.841453 Sb\n0.341486 0.841455 0.182940 Sb\n0.158546 0.817060 0.658514 Sb\n0.841454 0.499969 0.658514 Sb\n0.341485 0.158546 0.500030 Sb\n0.182941 0.341485 0.841454 Sb\n0.658514 0.158546 0.817058 Sb\n0.500000 0.000000 -0.000000 Ru\n0.000000 0.000000 0.500000 Ru\n0.000000 0.500000 -0.000000 Ru\n0.500000 0.500000 0.499999 Ru\n",
"nsites": 17,
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"elements": [
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"Sb",
"Ru"
],
"chemical_system": "Ru-Sb-Sr",
"density": 7.727175849695671,
"density_atomic": 0.04050549360599273,
"volume": 419.69615690561227,
"volume_molar": 14.86746666656849,
"formula_full": "Sr1 Sb12 Ru4",
"formula_reduced": "Sr(Sb3Ru)4",
"formula_anonymous": "AB4C12",
"energy_above_hull": 2.692877147647059,
"spacegroup": 204
},
{
"id": "jvasp-37761",
"created_at": "2022-09-04T14:38:05.948001Z",
"updated_at": "2022-09-04T14:38:05.948024Z",
"structure_string": "Hf1 Tl3\n1.0\n-2.198153 2.198153 5.109679\n2.198153 -2.198153 5.109679\n2.198153 2.198153 -5.109679\nHf Tl\n1 3\ndirect\n0.000000 0.000000 0.000000 Hf\n0.749998 0.249999 0.499999 Tl\n0.249999 0.749998 0.499999 Tl\n0.500000 0.500000 0.000000 Tl\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Hf",
"Tl"
],
"chemical_system": "Hf-Tl",
"density": 13.310897163060105,
"density_atomic": 0.040503312875227356,
"volume": 98.7573538076309,
"volume_molar": 14.86826714286688,
"formula_full": "Hf1 Tl3",
"formula_reduced": "HfTl3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.9553052000000002,
"spacegroup": 139
},
{
"id": "jvasp-109104",
"created_at": "2022-09-04T14:38:14.127966Z",
"updated_at": "2022-09-04T14:38:14.127993Z",
"structure_string": "Rb2 Li1 V1 Cl6\n1.0\n6.932586 -0.000000 0.000000\n-3.466293 6.003796 0.000000\n-0.000000 -0.000000 5.932204\nRb Li V Cl\n2 1 1 6\ndirect\n0.333334 0.666667 0.251603 Rb\n0.666667 0.333334 0.748397 Rb\n0.000000 0.000000 0.000000 Li\n0.000000 0.000000 0.500000 V\n0.838278 0.161723 0.264347 Cl\n0.161724 0.838278 0.735653 Cl\n0.838278 0.676554 0.264347 Cl\n0.161723 0.323446 0.735653 Cl\n0.323446 0.161723 0.264347 Cl\n0.676555 0.838278 0.735653 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Li",
"V",
"Cl"
],
"chemical_system": "Cl-Li-Rb-V",
"density": 2.969463862745136,
"density_atomic": 0.04050071867139368,
"volume": 246.90919884992468,
"volume_molar": 14.869219504130765,
"formula_full": "Rb2 Li1 V1 Cl6",
"formula_reduced": "Rb2LiVCl6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.2710448605000001,
"spacegroup": 164
},
{
"id": "jvasp-71000",
"created_at": "2022-09-04T14:35:51.886788Z",
"updated_at": "2022-09-04T14:35:51.886815Z",
"structure_string": "Be1 Cd1 Sb2\n1.0\n3.645940 0.000000 0.000000\n0.000000 3.645940 0.000000\n-0.000000 0.000000 7.430520\nBe Cd Sb\n1 1 2\ndirect\n0.000000 0.000000 0.528494 Be\n0.500000 0.500000 0.717740 Cd\n0.000000 0.000000 0.908908 Sb\n0.500000 0.500000 0.344858 Sb\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Cd",
"Sb"
],
"chemical_system": "Be-Cd-Sb",
"density": 6.13530432707001,
"density_atomic": 0.040496897158989534,
"volume": 98.77299942995946,
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"formula_full": "Be1 Cd1 Sb2",
"formula_reduced": "BeCdSb2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.8870445125,
"spacegroup": 99
},
{
"id": "jvasp-98477",
"created_at": "2022-09-04T14:35:49.683364Z",
"updated_at": "2022-09-04T14:35:49.683391Z",
"structure_string": "Yb20 Si16\n1.0\n7.434637 -0.000000 0.000000\n-0.000000 7.797421 0.000000\n0.000000 0.000000 15.335237\nYb Si\n20 16\ndirect\n0.817213 0.318878 0.622675 Yb\n0.317212 0.181122 0.622675 Yb\n0.817213 0.318878 0.877325 Yb\n0.182788 0.681122 0.377325 Yb\n0.682788 0.818878 0.122675 Yb\n0.970100 0.820796 0.597413 Yb\n0.470100 0.679204 0.902588 Yb\n0.682788 0.818878 0.377325 Yb\n0.529900 0.320796 0.402588 Yb\n0.029900 0.179204 0.402588 Yb\n0.529900 0.320796 0.097413 Yb\n0.470100 0.679204 0.597413 Yb\n0.970100 0.820796 0.902588 Yb\n0.359423 0.008693 0.250000 Yb\n0.859424 0.491307 0.250000 Yb\n0.029900 0.179204 0.097413 Yb\n0.182788 0.681122 0.122675 Yb\n0.640577 0.991307 0.750000 Yb\n0.317212 0.181122 0.877325 Yb\n0.140577 0.508693 0.750000 Yb\n0.360297 0.974486 0.037055 Si\n0.639703 0.025514 0.537055 Si\n0.139703 0.474486 0.962945 Si\n0.139703 0.474486 0.537055 Si\n0.639703 0.025514 0.962945 Si\n0.360297 0.974486 0.462945 Si\n0.860297 0.525514 0.037055 Si\n0.973556 0.904476 0.250000 Si\n0.526445 0.404476 0.750000 Si\n0.026445 0.095524 0.750000 Si\n0.251148 0.378097 0.250000 Si\n0.751148 0.121903 0.250000 Si\n0.248852 0.878097 0.750000 Si\n0.748853 0.621903 0.750000 Si\n0.473556 0.595524 0.250000 Si\n0.860297 0.525514 0.462945 Si\n",
"nsites": 36,
"nelements": 2,
"elements": [
"Yb",
"Si"
],
"chemical_system": "Si-Yb",
"density": 7.3037057877483385,
"density_atomic": 0.04049498630727107,
"volume": 888.9989424082364,
"volume_molar": 14.871324351870925,
"formula_full": "Yb20 Si16",
"formula_reduced": "Yb5Si4",
"formula_anonymous": "A4B5",
"energy_above_hull": 1.0747186555555552,
"spacegroup": 62
},
{
"id": "jvasp-106090",
"created_at": "2022-09-04T14:36:05.707621Z",
"updated_at": "2022-09-04T14:36:05.707642Z",
"structure_string": "Er2 Se3\n1.0\n3.921419 0.000000 0.000000\n0.000000 3.921419 0.000000\n0.000000 0.000000 8.029454\nEr Se\n2 3\ndirect\n0.500000 0.000000 0.761651 Er\n0.000000 0.500000 0.238349 Er\n0.000000 0.500000 0.865616 Se\n0.500000 0.000000 0.134384 Se\n0.500000 0.500000 0.500000 Se\n",
"nsites": 5,
"nelements": 2,
"elements": [
"Er",
"Se"
],
"chemical_system": "Er-Se",
"density": 7.684494454085661,
"density_atomic": 0.04049463533993433,
"volume": 123.47314546796727,
"volume_molar": 14.8714532417611,
"formula_full": "Er2 Se3",
"formula_reduced": "Er2Se3",
"formula_anonymous": "A2B3",
"energy_above_hull": 1.09074002,
"spacegroup": 115
},
{
"id": "jvasp-80701",
"created_at": "2022-09-04T14:37:07.079138Z",
"updated_at": "2022-09-04T14:37:07.079167Z",
"structure_string": "Li2 Ca1 Mg1\n1.0\n-12.149548 3.482135 -1.400185\n-8.778891 0.994969 1.663956\n-7.270044 5.198666 -0.972328\nLi Ca Mg\n2 1 1\ndirect\n0.749514 0.000284 0.000216 Li\n0.250481 0.999718 0.999788 Li\n0.499999 0.000001 0.000001 Ca\n0.000000 0.000000 0.000000 Mg\n",
"nsites": 4,
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"elements": [
"Li",
"Ca",
"Mg"
],
"chemical_system": "Ca-Li-Mg",
"density": 1.3156843546535861,
"density_atomic": 0.04049440430430848,
"volume": 98.77907994251967,
"volume_molar": 14.871538088928656,
"formula_full": "Li2 Ca1 Mg1",
"formula_reduced": "Li2CaMg",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.2685043181818182,
"spacegroup": 225
},
{
"id": "jvasp-40889",
"created_at": "2022-09-04T14:37:43.396570Z",
"updated_at": "2022-09-04T14:37:43.396589Z",
"structure_string": "Pm2 Ag1 Ge1\n1.0\n0.000000 3.669012 3.669012\n3.669012 0.000000 3.669012\n3.669012 3.669012 0.000000\nPm Ag Ge\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Pm\n0.499999 0.499999 0.499999 Pm\n0.250000 0.250000 0.250000 Ag\n0.750000 0.750000 0.750000 Ge\n",
"nsites": 4,
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"elements": [
"Pm",
"Ag",
"Ge"
],
"chemical_system": "Ag-Ge-Pm",
"density": 7.909315540363246,
"density_atomic": 0.04049324667734436,
"volume": 98.78190385356201,
"volume_molar": 14.871963238673423,
"formula_full": "Pm2 Ag1 Ge1",
"formula_reduced": "Pm2AgGe",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.78439639,
"spacegroup": 225
},
{
"id": "jvasp-12464",
"created_at": "2022-09-04T14:37:27.571168Z",
"updated_at": "2022-09-04T14:37:27.571192Z",
"structure_string": "Zn4 Cl8\n1.0\n6.119620 0.000000 0.000000\n0.000000 6.421573 0.000000\n0.000000 0.000000 7.541139\nZn Cl\n4 8\ndirect\n0.373779 0.585091 0.375459 Zn\n0.873779 0.414909 0.624541 Zn\n0.873779 0.914908 0.875459 Zn\n0.373779 0.085091 0.124541 Zn\n0.001155 0.579219 0.875052 Cl\n0.501155 0.420780 0.124948 Cl\n0.501155 0.920780 0.375052 Cl\n0.001155 0.079219 0.624948 Cl\n-0.002034 0.076881 0.127519 Cl\n0.497966 0.923118 0.872482 Cl\n0.497966 0.423118 0.627519 Cl\n-0.002034 0.576881 0.372481 Cl\n",
"nsites": 12,
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"elements": [
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],
"chemical_system": "Cl-Zn",
"density": 3.0552722220661908,
"density_atomic": 0.04049285710543735,
"volume": 296.34856263053484,
"volume_molar": 14.872106318206306,
"formula_full": "Zn4 Cl8",
"formula_reduced": "ZnCl2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0020333333333333,
"spacegroup": 33
},
{
"id": "jvasp-59041",
"created_at": "2022-09-04T14:38:36.014975Z",
"updated_at": "2022-09-04T14:38:36.014987Z",
"structure_string": "Na8 Mn8 Se12\n1.0\n6.817322 0.014772 2.446672\n3.361555 9.779207 1.144312\n0.060287 -0.145229 10.402773\nNa Mn Se\n8 8 12\ndirect\n0.356929 0.191133 0.021843 Na\n0.143070 0.978158 0.808866 Na\n0.643070 0.808867 0.978157 Na\n0.856929 0.021842 0.191133 Na\n0.250000 0.280349 0.719651 Na\n0.749999 0.719651 0.280349 Na\n0.250000 0.569458 0.430542 Na\n0.750000 0.430542 0.569458 Na\n0.203089 0.634161 0.786428 Mn\n0.296911 0.213571 0.365839 Mn\n0.703089 0.786429 0.634160 Mn\n0.796910 0.365839 0.213571 Mn\n0.758040 0.082224 0.554881 Mn\n0.258040 0.554882 0.082225 Mn\n0.241959 0.917775 0.445118 Mn\n0.741960 0.445118 0.917775 Mn\n0.566425 0.279676 0.429950 Se\n0.450566 0.996240 0.224757 Se\n0.049433 0.775243 0.003760 Se\n0.549434 0.003759 0.775243 Se\n0.950567 0.224757 0.996240 Se\n0.448764 0.413697 0.852378 Se\n0.051236 0.147622 0.586303 Se\n0.551236 0.586303 0.147622 Se\n0.948763 0.852378 0.413697 Se\n0.433575 0.720324 0.570050 Se\n0.066424 0.429950 0.279676 Se\n0.933575 0.570050 0.720324 Se\n",
"nsites": 28,
"nelements": 3,
"elements": [
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"Mn",
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],
"chemical_system": "Mn-Na-Se",
"density": 3.7723267005045713,
"density_atomic": 0.04049094738871505,
"volume": 691.512592461684,
"volume_molar": 14.872807746845629,
"formula_full": "Na8 Mn8 Se12",
"formula_reduced": "Na2Mn2Se3",
"formula_anonymous": "A2B2C3",
"energy_above_hull": 1.7328632261083747,
"spacegroup": 15
},
{
"id": "jvasp-8031",
"created_at": "2022-09-04T14:36:38.233334Z",
"updated_at": "2022-09-04T14:36:38.233358Z",
"structure_string": "Cd2 Si2 As4\n1.0\n5.389784 0.000000 -2.563554\n-1.219308 5.250054 -2.563554\n0.010401 0.013093 6.969563\nCd Si As\n2 2 4\ndirect\n0.249999 0.749999 0.500000 Cd\n0.000000 0.000000 0.000000 Cd\n0.749999 0.250000 0.500000 Si\n0.499999 0.500000 0.000000 Si\n0.124999 0.586902 0.750000 As\n0.836902 0.874999 0.250000 As\n0.413096 0.375000 0.250000 As\n0.624999 0.163096 0.750000 As\n",
"nsites": 8,
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"elements": [
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"Si",
"As"
],
"chemical_system": "As-Cd-Si",
"density": 4.880325615596069,
"density_atomic": 0.040490512075213606,
"volume": 197.5771505467629,
"volume_molar": 14.872967644403968,
"formula_full": "Cd2 Si2 As4",
"formula_reduced": "CdSiAs2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.4412504624999998,
"spacegroup": 122
}
]
}