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=-density&page=4348",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-density&page=4346",
"results": [
{
"id": "jvasp-108843",
"created_at": "2022-09-04T14:38:27.830672Z",
"updated_at": "2022-09-04T14:38:27.830701Z",
"structure_string": "K3 Mo1 Cl6\n1.0\n6.504731 -0.000000 3.755508\n2.168244 6.132719 3.755508\n-0.000000 -0.000000 7.511016\nK Mo Cl\n3 1 6\ndirect\n0.749999 0.750000 0.750001 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500001 K\n0.000000 0.000000 0.000000 Mo\n0.770506 0.229493 0.229494 Cl\n0.229493 0.229493 0.770507 Cl\n0.229493 0.770507 0.770508 Cl\n0.229493 0.770507 0.229494 Cl\n0.770506 0.229493 0.770507 Cl\n0.770506 0.770507 0.229494 Cl\n",
"nsites": 10,
"nelements": 3,
"elements": [
"K",
"Mo",
"Cl"
],
"chemical_system": "Cl-K-Mo",
"density": 2.3606390263054546,
"density_atomic": 0.03337481797840459,
"volume": 299.62710228024525,
"volume_molar": 18.04396585442554,
"formula_full": "K3 Mo1 Cl6",
"formula_reduced": "K3MoCl6",
"formula_anonymous": "AB3C6",
"energy_above_hull": 0.2979604305,
"spacegroup": 225
},
{
"id": "jvasp-45075",
"created_at": "2022-09-04T14:38:02.167326Z",
"updated_at": "2022-09-04T14:38:02.167341Z",
"structure_string": "Li6 Be2 P2 C2 O14\n1.0\n0.000000 4.703187 0.007407\n6.855676 0.000000 0.000000\n0.000000 -0.030831 -8.064378\nLi Be P C O\n6 2 2 2 14\ndirect\n0.057482 0.527023 0.038490 Li\n0.396319 0.238601 0.808006 Li\n0.441648 0.401721 0.443123 Li\n0.558353 0.901722 0.556877 Li\n0.603682 0.738601 0.191994 Li\n0.942519 0.027022 0.961509 Li\n0.046868 0.689302 0.712505 Be\n0.953133 0.189302 0.287495 Be\n0.049664 0.768670 0.360011 P\n0.950336 0.268670 0.639989 P\n0.543616 0.713980 0.870169 C\n0.456385 0.213979 0.129831 C\n0.937279 0.600898 0.253639 O\n0.931831 0.954602 0.270127 O\n0.609053 0.261817 0.257271 O\n0.374589 0.766007 0.376240 O\n0.922770 0.766497 0.538770 O\n0.077231 0.266497 0.461230 O\n0.430072 0.638413 0.998653 O\n0.390948 0.761817 0.742729 O\n0.068170 0.454602 0.729873 O\n0.062722 0.100898 0.746361 O\n0.820475 0.747076 0.870925 O\n0.179526 0.247075 0.129075 O\n0.625412 0.266007 0.623760 O\n0.569928 0.138413 0.001347 O\n",
"nsites": 26,
"nelements": 5,
"elements": [
"Li",
"Be",
"P",
"C",
"O"
],
"chemical_system": "Be-C-Li-O-P",
"density": 2.3605138908790892,
"density_atomic": 0.09999137841661208,
"volume": 260.0224180495994,
"volume_molar": 6.022660008654817,
"formula_full": "Li6 Be2 P2 C2 O14",
"formula_reduced": "Li3BePCO7",
"formula_anonymous": "ABCD3E7",
"energy_above_hull": 2.639553546153846,
"spacegroup": 4
},
{
"id": "jvasp-63459",
"created_at": "2022-09-04T14:36:19.871193Z",
"updated_at": "2022-09-04T14:36:19.871223Z",
"structure_string": "K12 As4 S12\n1.0\n9.327697 0.000000 -0.000000\n0.000000 9.327697 0.000000\n0.000000 0.000000 9.327697\nK As S\n12 4 12\ndirect\n0.439068 0.439068 0.439068 K\n0.060932 0.560932 0.939068 K\n0.560932 0.939068 0.060932 K\n0.939068 0.060932 0.560932 K\n0.933748 0.933748 0.933748 K\n0.566252 0.066252 0.433748 K\n0.066252 0.433748 0.566252 K\n0.433748 0.566252 0.066252 K\n0.676508 0.676508 0.676508 K\n0.823492 0.323492 0.176508 K\n0.323492 0.176508 0.823492 K\n0.176508 0.823492 0.323492 K\n0.724805 0.275196 0.775196 As\n0.775196 0.724805 0.275196 As\n0.275196 0.775196 0.724805 As\n0.224804 0.224804 0.224804 As\n0.151227 0.459315 0.245086 S\n0.348773 0.540685 0.745087 S\n0.848773 0.959315 0.254914 S\n0.651227 0.040685 0.754914 S\n0.245086 0.151227 0.459315 S\n0.745087 0.348773 0.540685 S\n0.254914 0.848773 0.959315 S\n0.754914 0.651227 0.040685 S\n0.459315 0.245086 0.151227 S\n0.540685 0.745087 0.348773 S\n0.959315 0.254914 0.848773 S\n0.040685 0.754914 0.651227 S\n",
"nsites": 28,
"nelements": 3,
"elements": [
"K",
"As",
"S"
],
"chemical_system": "As-K-S",
"density": 2.3604693839778417,
"density_atomic": 0.03450124293389215,
"volume": 811.5649645912994,
"volume_molar": 17.454851616618644,
"formula_full": "K12 As4 S12",
"formula_reduced": "K3AsS3",
"formula_anonymous": "AB3C3",
"energy_above_hull": 0.6970936785714286,
"spacegroup": 198
},
{
"id": "jvasp-115256",
"created_at": "2022-09-04T14:38:45.025122Z",
"updated_at": "2022-09-04T14:38:45.025148Z",
"structure_string": "Rb1 Na1 O1\n1.0\n4.649540 -0.000000 0.000000\n-2.324770 4.026620 -0.000000\n0.000000 -0.000000 4.676704\nRb Na O\n1 1 1\ndirect\n0.666667 0.333334 0.000000 Rb\n0.000000 0.000000 0.000000 Na\n0.333334 0.666667 0.000000 O\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Rb",
"Na",
"O"
],
"chemical_system": "Na-O-Rb",
"density": 2.3603575783402615,
"density_atomic": 0.03426342213178303,
"volume": 87.55692844869618,
"volume_molar": 17.576004921043232,
"formula_full": "Rb1 Na1 O1",
"formula_reduced": "RbNaO",
"formula_anonymous": "ABC",
"energy_above_hull": 0.2165066666666666,
"spacegroup": 187
},
{
"id": "jvasp-115904",
"created_at": "2022-09-04T14:38:40.694762Z",
"updated_at": "2022-09-04T14:38:40.694788Z",
"structure_string": "P2 Cl2\n1.0\n5.134693 0.512104 1.041196\n-1.466403 -7.491347 0.006917\n-1.744000 -1.332978 -2.783842\nP Cl\n2 2\ndirect\n0.038629 0.261203 0.071319 P\n0.651906 0.281103 0.165531 P\n0.089419 0.953521 0.429185 Cl\n0.601123 0.588786 0.807573 Cl\n",
"nsites": 4,
"nelements": 2,
"elements": [
"P",
"Cl"
],
"chemical_system": "Cl-P",
"density": 2.360324018910397,
"density_atomic": 0.04279661708032506,
"volume": 93.4653314417911,
"volume_molar": 14.07153455306299,
"formula_full": "P2 Cl2",
"formula_reduced": "PCl",
"formula_anonymous": "AB",
"energy_above_hull": 0.8340897837499999,
"spacegroup": 11
},
{
"id": "jvasp-109027",
"created_at": "2022-09-04T14:38:17.189073Z",
"updated_at": "2022-09-04T14:38:17.189100Z",
"structure_string": "Ca3 Y1\n1.0\n5.131864 -0.000000 2.962883\n1.710621 4.838368 2.962883\n-0.000000 -0.000000 5.925766\nCa Y\n3 1\ndirect\n0.250000 0.250000 0.250000 Ca\n0.749999 0.750000 0.750000 Ca\n0.499999 0.500000 0.500000 Ca\n0.000000 0.000000 0.000000 Y\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ca",
"Y"
],
"chemical_system": "Ca-Y",
"density": 2.3603008137136086,
"density_atomic": 0.02718575869885718,
"volume": 147.13586051832903,
"volume_molar": 22.151821572127602,
"formula_full": "Ca3 Y1",
"formula_reduced": "Ca3Y",
"formula_anonymous": "AB3",
"energy_above_hull": 0.4235091775,
"spacegroup": 225
},
{
"id": "jvasp-1167",
"created_at": "2022-09-04T14:36:59.429049Z",
"updated_at": "2022-09-04T14:36:59.429070Z",
"structure_string": "Be1 S1\n1.0\n2.983122 0.000000 1.722306\n0.994374 2.812515 1.722306\n0.000000 0.000000 3.444612\nBe S\n1 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.250000 0.250000 0.250001 S\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Be",
"S"
],
"chemical_system": "Be-S",
"density": 2.3601715293398846,
"density_atomic": 0.06920282492767428,
"volume": 28.900554306710074,
"volume_molar": 8.702160303851615,
"formula_full": "Be1 S1",
"formula_reduced": "BeS",
"formula_anonymous": "AB",
"energy_above_hull": 0.6253880500000002,
"spacegroup": 216
},
{
"id": "jvasp-170",
"created_at": "2022-09-04T14:36:33.269726Z",
"updated_at": "2022-09-04T14:36:33.269753Z",
"structure_string": "Mg1 Cl2\n1.0\n3.454234 -0.021934 5.135219\n1.550190 3.086927 5.135219\n-0.035813 -0.021934 6.188774\nMg Cl\n1 2\ndirect\n0.000000 0.000000 0.000000 Mg\n0.254811 0.254812 0.254811 Cl\n0.745187 0.745191 0.745188 Cl\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Mg",
"Cl"
],
"chemical_system": "Cl-Mg",
"density": 2.360171219769805,
"density_atomic": 0.04478458363445336,
"volume": 66.98733708204135,
"volume_molar": 13.446905768187358,
"formula_full": "Mg1 Cl2",
"formula_reduced": "MgCl2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0010166666666666,
"spacegroup": 166
},
{
"id": "jvasp-58347",
"created_at": "2022-09-04T14:37:45.004272Z",
"updated_at": "2022-09-04T14:37:45.004296Z",
"structure_string": "Si4 O8\n1.0\n4.967681 0.000000 -0.000000\n-0.000000 4.967681 -0.000000\n0.000000 -0.000000 6.852277\nSi O\n4 8\ndirect\n0.689864 0.689864 0.500000 Si\n0.810136 0.189864 0.750000 Si\n0.189864 0.810136 0.250000 Si\n0.310136 0.310136 0.000000 Si\n0.876473 0.764840 0.311777 O\n0.123527 0.235159 0.811777 O\n0.764840 0.876473 0.688224 O\n0.264841 0.623527 0.061776 O\n0.235159 0.123527 0.188224 O\n0.376473 0.735159 0.438224 O\n0.623527 0.264841 0.938224 O\n0.735159 0.376473 0.561777 O\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Si",
"O"
],
"chemical_system": "O-Si",
"density": 2.360085758640265,
"density_atomic": 0.07096413863079719,
"volume": 169.09949492139978,
"volume_molar": 8.486174673846454,
"formula_full": "Si4 O8",
"formula_reduced": "SiO2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.3903018666666669,
"spacegroup": 92
},
{
"id": "jvasp-103975",
"created_at": "2022-09-04T14:36:40.928176Z",
"updated_at": "2022-09-04T14:36:40.928199Z",
"structure_string": "Cd1 H12 C8 O4\n1.0\n4.018815 -0.061494 -0.397828\n-0.995008 4.142255 -0.038612\n-0.158509 0.002617 12.091583\nCd H C O\n1 12 8 4\ndirect\n0.243137 0.742256 0.184350 Cd\n0.669347 0.795640 0.575292 H\n0.281992 0.911884 0.944440 H\n0.710657 0.027710 0.909859 H\n0.998744 0.871073 0.754949 H\n0.401613 0.935655 0.705079 H\n0.896821 0.362853 0.651712 H\n0.034406 0.824014 0.506463 H\n0.172492 0.418843 0.850499 H\n0.582604 0.488590 0.803878 H\n0.442026 0.928780 0.408723 H\n0.621566 0.331479 0.461684 H\n0.279559 0.392020 0.591187 H\n0.598375 0.339663 0.030979 C\n0.489988 0.119305 0.927826 C\n0.366326 0.297012 0.826922 C\n0.210223 0.061667 0.727985 C\n0.868693 0.968314 0.536045 C\n0.682837 0.107424 0.436091 C\n0.887424 0.175551 0.337568 C\n0.069250 0.219325 0.625761 C\n0.418698 0.282696 0.113643 O\n0.121636 0.434881 0.338123 O\n0.817782 0.956874 0.257572 O\n0.856999 0.580428 0.030151 O\n",
"nsites": 25,
"nelements": 4,
"elements": [
"Cd",
"H",
"C",
"O"
],
"chemical_system": "C-Cd-H-O",
"density": 2.359461338951825,
"density_atomic": 0.12482021740452501,
"volume": 200.2880664674575,
"volume_molar": 4.82465171526106,
"formula_full": "Cd1 H12 C8 O4",
"formula_reduced": "CdH12(C2O)4",
"formula_anonymous": "AB4C8D12",
"energy_above_hull": 4.42217255,
"spacegroup": 1
},
{
"id": "jvasp-121079",
"created_at": "2022-09-04T14:38:54.260975Z",
"updated_at": "2022-09-04T14:38:54.260998Z",
"structure_string": "H1 C2\n1.0\n2.850313 0.000000 -0.061613\n0.000000 1.555549 0.000000\n-0.055040 0.000000 3.974592\nH C\n1 2\ndirect\n0.597802 0.000000 -0.085735 H\n-0.141402 0.000000 -0.570491 C\n-0.056402 0.000000 0.056227 C\n",
"nsites": 3,
"nelements": 2,
"elements": [
"H",
"C"
],
"chemical_system": "C-H",
"density": 2.3591725865068187,
"density_atomic": 0.17028738350256623,
"volume": 17.617276971988886,
"volume_molar": 3.536457391107455,
"formula_full": "H1 C2",
"formula_reduced": "HC2",
"formula_anonymous": "AB2",
"energy_above_hull": 4.879866666666666,
"spacegroup": 6
},
{
"id": "jvasp-34656",
"created_at": "2022-09-04T14:37:08.148846Z",
"updated_at": "2022-09-04T14:37:08.148872Z",
"structure_string": "Si8 O16\n1.0\n6.853485 0.000000 0.000000\n0.000000 7.026603 0.000000\n0.000000 0.000000 7.025656\nSi O\n8 16\ndirect\n0.000064 0.060058 -0.000114 Si\n0.750097 0.749982 0.189922 Si\n0.249904 0.249982 0.310079 Si\n0.500064 0.439942 0.000114 Si\n-0.000064 0.560058 0.500114 Si\n0.749904 0.250018 0.689922 Si\n0.499937 0.939942 0.499886 Si\n0.250097 0.750018 0.810079 Si\n0.938152 0.194025 0.820553 O\n0.438205 0.805829 0.679175 O\n0.188019 0.429174 0.444227 O\n0.438151 0.305975 0.179447 O\n0.811677 0.429400 0.555965 O\n0.311981 0.570826 0.944227 O\n0.061796 0.194171 0.179175 O\n0.061849 0.694025 0.679448 O\n0.561849 0.805975 0.320553 O\n0.688324 0.570599 0.055965 O\n0.938205 0.694171 0.320826 O\n0.188324 0.929400 0.944036 O\n0.811982 0.929174 0.055773 O\n0.688019 0.070826 0.555773 O\n0.561796 0.305829 0.820826 O\n0.311677 0.070599 0.444036 O\n",
"nsites": 24,
"nelements": 2,
"elements": [
"Si",
"O"
],
"chemical_system": "O-Si",
"density": 2.359154184667038,
"density_atomic": 0.0709361276382564,
"volume": 338.33253659390084,
"volume_molar": 8.489525662734675,
"formula_full": "Si8 O16",
"formula_reduced": "SiO2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.3903052000000002,
"spacegroup": 92
}
]
}