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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_reduced&page=3392",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_reduced&page=3390",
"results": [
{
"id": "jvasp-18993",
"created_at": "2022-09-04T14:37:06.454255Z",
"updated_at": "2022-09-04T14:37:06.454276Z",
"structure_string": "Sb8 Se12\n1.0\n4.041452 -0.000000 0.000000\n0.000000 11.596570 0.000000\n0.000000 0.000000 12.061102\nSb Se\n8 12\ndirect\n0.750000 0.039756 0.146774 Sb\n0.250000 0.960244 0.853225 Sb\n0.250000 0.539756 0.353226 Sb\n0.750000 0.460244 0.646774 Sb\n0.250000 0.329858 0.026160 Sb\n0.750000 0.670142 0.973840 Sb\n0.750000 0.829858 0.473840 Sb\n0.250000 0.170142 0.526160 Sb\n0.250000 0.947336 0.371883 Se\n0.750000 0.052664 0.628116 Se\n0.250000 0.304277 0.712554 Se\n0.750000 0.695723 0.287445 Se\n0.750000 0.804277 0.787445 Se\n0.250000 0.868416 0.053756 Se\n0.750000 0.368416 0.446244 Se\n0.250000 0.631584 0.553756 Se\n0.250000 0.552664 0.871883 Se\n0.750000 0.131584 0.946244 Se\n0.250000 0.195723 0.212554 Se\n0.750000 0.447336 0.128116 Se\n",
"nsites": 20,
"nelements": 2,
"elements": [
"Sb",
"Se"
],
"chemical_system": "Sb-Se",
"density": 5.644924248228103,
"density_atomic": 0.03538148252926166,
"volume": 565.2674385099419,
"volume_molar": 17.020600408757574,
"formula_full": "Sb8 Se12",
"formula_reduced": "Sb2Se3",
"formula_anonymous": "A2B3",
"energy_above_hull": 1.52104646,
"spacegroup": 62
},
{
"id": "jvasp-1100",
"created_at": "2022-09-04T14:37:14.535414Z",
"updated_at": "2022-09-04T14:37:14.535434Z",
"structure_string": "Sb8 Se12\n1.0\n4.041452 0.000000 0.000000\n0.000000 11.596570 0.000000\n0.000000 0.000000 12.061102\nSb Se\n8 12\ndirect\n0.750000 0.039756 0.146774 Sb\n0.250000 0.960244 0.853225 Sb\n0.250000 0.539756 0.353226 Sb\n0.750000 0.460244 0.646774 Sb\n0.250000 0.329858 0.026160 Sb\n0.750000 0.670142 0.973840 Sb\n0.750000 0.829858 0.473840 Sb\n0.250000 0.170142 0.526160 Sb\n0.250000 0.947336 0.371883 Se\n0.750000 0.052664 0.628116 Se\n0.250000 0.304277 0.712554 Se\n0.750000 0.695723 0.287445 Se\n0.750000 0.804277 0.787445 Se\n0.250000 0.868416 0.053756 Se\n0.750000 0.368416 0.446244 Se\n0.250000 0.631584 0.553756 Se\n0.250000 0.552664 0.871883 Se\n0.750000 0.131584 0.946244 Se\n0.250000 0.195723 0.212554 Se\n0.750000 0.447336 0.128116 Se\n",
"nsites": 20,
"nelements": 2,
"elements": [
"Sb",
"Se"
],
"chemical_system": "Sb-Se",
"density": 5.644924248228103,
"density_atomic": 0.03538148252926166,
"volume": 565.2674385099419,
"volume_molar": 17.020600408757574,
"formula_full": "Sb8 Se12",
"formula_reduced": "Sb2Se3",
"formula_anonymous": "A2B3",
"energy_above_hull": 1.52104646,
"spacegroup": 62
},
{
"id": "jvasp-115306",
"created_at": "2022-09-04T14:38:45.727779Z",
"updated_at": "2022-09-04T14:38:45.727798Z",
"structure_string": "Sb2 S1 O2\n1.0\n-0.376818 2.942714 5.656081\n2.942711 -0.376795 5.656081\n2.565893 2.565919 0.000000\nSb S O\n2 1 2\ndirect\n0.679825 0.679822 0.320176 Sb\n0.420803 0.420802 0.079197 Sb\n0.062075 0.062074 0.437926 S\n0.326891 0.326888 0.673110 O\n0.010410 0.010410 -0.010410 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Sb",
"S",
"O"
],
"chemical_system": "O-S-Sb",
"density": 5.3009174180609895,
"density_atomic": 0.05189296520124093,
"volume": 96.35217376016188,
"volume_molar": 11.604927058313466,
"formula_full": "Sb2 S1 O2",
"formula_reduced": "Sb2SO2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 2.06085184,
"spacegroup": 44
},
{
"id": "jvasp-115307",
"created_at": "2022-09-04T14:38:45.774356Z",
"updated_at": "2022-09-04T14:38:45.774379Z",
"structure_string": "Sb2 S1 O2\n1.0\n-1.879165 1.879165 5.815987\n1.879165 -1.879165 5.815987\n1.879165 1.879165 -5.815987\nSb S O\n2 1 2\ndirect\n0.357253 0.357253 0.000000 Sb\n0.642746 0.642746 0.000000 Sb\n0.000000 0.000000 0.000000 S\n0.250000 0.750002 0.500002 O\n0.750002 0.250000 0.500002 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Sb",
"S",
"O"
],
"chemical_system": "O-S-Sb",
"density": 6.217263973862457,
"density_atomic": 0.06086347656413565,
"volume": 82.15107454026534,
"volume_molar": 9.894506689334602,
"formula_full": "Sb2 S1 O2",
"formula_reduced": "Sb2SO2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.91385984,
"spacegroup": 139
},
{
"id": "jvasp-97812",
"created_at": "2022-09-04T14:35:51.952653Z",
"updated_at": "2022-09-04T14:35:51.952674Z",
"structure_string": "Sb8 S12 O48\n1.0\n4.748635 0.000000 0.000000\n0.000000 12.822982 -2.465643\n0.000000 0.035462 14.465743\nSb S O\n8 12 48\ndirect\n0.412412 0.924813 0.283625 Sb\n0.310036 0.826678 0.933100 Sb\n0.810036 0.673322 0.566900 Sb\n0.689965 0.173322 0.066900 Sb\n0.912412 0.575187 0.216375 Sb\n0.087589 0.424813 0.783625 Sb\n0.587589 0.075187 0.716375 Sb\n0.189965 0.326678 0.433100 Sb\n0.863461 0.942164 0.108713 S\n0.363461 0.557836 0.391288 S\n0.636540 0.442164 0.608712 S\n0.825149 0.651246 0.821957 S\n0.325149 0.848754 0.678043 S\n0.136540 0.057836 0.891287 S\n0.674852 0.151246 0.321957 S\n0.558372 0.335903 0.895318 S\n0.058371 0.164097 0.604682 S\n0.441629 0.664097 0.104682 S\n0.941630 0.835903 0.395318 S\n0.174852 0.348754 0.178043 S\n0.400142 0.436614 0.900016 O\n0.547227 0.136399 0.227869 O\n0.047226 0.363600 0.272131 O\n0.452774 0.863600 0.772131 O\n0.952775 0.636399 0.727869 O\n0.569596 0.063311 0.369528 O\n0.930405 0.563311 0.869528 O\n0.430405 0.936689 0.630472 O\n0.570507 0.251159 0.384164 O\n0.070507 0.248841 0.115836 O\n0.429494 0.748841 0.615836 O\n0.900143 0.063386 0.599983 O\n0.069596 0.436689 0.130472 O\n0.018638 0.842277 0.677512 O\n0.863769 0.935729 0.211274 O\n0.543346 0.303097 0.986839 O\n0.363769 0.564271 0.288726 O\n0.136232 0.064270 0.788726 O\n0.636232 0.435729 0.711274 O\n0.044454 0.853971 0.060806 O\n0.544454 0.646029 0.439194 O\n0.955547 0.146029 0.939194 O\n0.455547 0.353971 0.560806 O\n0.572522 0.934695 0.073202 O\n0.072522 0.565305 0.426798 O\n0.427479 0.065305 0.926798 O\n0.927479 0.434695 0.573202 O\n0.990306 0.043851 0.096841 O\n0.490305 0.456149 0.403159 O\n0.009695 0.956149 0.903159 O\n0.099858 0.936614 0.400017 O\n0.509696 0.543851 0.596841 O\n0.518638 0.657723 0.822488 O\n0.481363 0.342277 0.177512 O\n0.981363 0.157723 0.322488 O\n0.057765 0.760123 0.316251 O\n0.557766 0.739877 0.183749 O\n0.942236 0.239877 0.683749 O\n0.442235 0.260123 0.816251 O\n0.629788 0.854683 0.379574 O\n0.129788 0.645316 0.120426 O\n0.370213 0.145316 0.620426 O\n0.870213 0.354683 0.879574 O\n0.956655 0.803097 0.486839 O\n0.456655 0.696903 0.013161 O\n0.043346 0.196903 0.513161 O\n0.929494 0.751159 0.884164 O\n0.599859 0.563386 0.099983 O\n",
"nsites": 68,
"nelements": 3,
"elements": [
"Sb",
"S",
"O"
],
"chemical_system": "O-S-Sb",
"density": 4.007549425512362,
"density_atomic": 0.07716239159447301,
"volume": 881.2583253947602,
"volume_molar": 7.804502472719307,
"formula_full": "Sb8 S12 O48",
"formula_reduced": "Sb2(SO4)3",
"formula_anonymous": "A2B3C12",
"energy_above_hull": 2.7072061294117646,
"spacegroup": 14
},
{
"id": "jvasp-15721",
"created_at": "2022-09-04T14:36:52.540131Z",
"updated_at": "2022-09-04T14:36:52.540138Z",
"structure_string": "Sb6 Te3\n1.0\n2.184663 -3.783947 -0.000000\n2.184663 3.783947 0.000000\n-0.000000 -0.000000 17.866264\nSb Te\n6 3\ndirect\n0.000000 0.000000 0.346782 Sb\n0.000000 0.000000 0.653217 Sb\n0.666667 0.333332 0.566749 Sb\n0.333332 0.666667 0.110611 Sb\n0.666667 0.333332 0.889389 Sb\n0.333332 0.666667 0.433251 Sb\n0.000000 0.000000 0.000000 Te\n0.666667 0.333332 0.206320 Te\n0.333332 0.666667 0.793680 Te\n",
"nsites": 9,
"nelements": 2,
"elements": [
"Sb",
"Te"
],
"chemical_system": "Sb-Te",
"density": 6.258805719548746,
"density_atomic": 0.030468373339330383,
"volume": 295.3882670323678,
"volume_molar": 19.765219143570956,
"formula_full": "Sb6 Te3",
"formula_reduced": "Sb2Te",
"formula_anonymous": "AB2",
"energy_above_hull": 1.1993133222222228,
"spacegroup": 164
},
{
"id": "jvasp-108083",
"created_at": "2022-09-04T14:38:09.100589Z",
"updated_at": "2022-09-04T14:38:09.100621Z",
"structure_string": "Sb2 Te2 Se1\n1.0\n4.109747 -0.042374 9.397080\n1.930913 3.628138 9.397080\n-0.071384 -0.042374 10.256219\nSb Te Se\n2 2 1\ndirect\n0.400287 0.400288 0.400286 Sb\n0.596788 0.596790 0.596787 Sb\n0.792105 0.792107 0.792104 Te\n0.997119 0.997122 0.997117 Te\n0.213699 0.213700 0.213699 Se\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Sb",
"Te",
"Se"
],
"chemical_system": "Sb-Se-Te",
"density": 6.106178578413773,
"density_atomic": 0.03182754026243954,
"volume": 157.09665147767083,
"volume_molar": 18.921162962463917,
"formula_full": "Sb2 Te2 Se1",
"formula_reduced": "Sb2Te2Se",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.33593622,
"spacegroup": 160
},
{
"id": "jvasp-2244",
"created_at": "2022-09-04T14:36:47.600378Z",
"updated_at": "2022-09-04T14:36:47.600403Z",
"structure_string": "Sb2 Te2 Se1\n1.0\n4.162151 -0.001044 9.517693\n1.989250 3.656006 9.517693\n-0.001757 -0.001044 10.387973\nSb Te Se\n2 2 1\ndirect\n0.892919 0.892924 0.892919 Sb\n0.107079 0.107079 0.107079 Sb\n0.715906 0.715910 0.715907 Te\n0.284091 0.284093 0.284092 Te\n0.499999 0.500002 0.499999 Se\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Sb",
"Te",
"Se"
],
"chemical_system": "Sb-Se-Te",
"density": 6.064491157911398,
"density_atomic": 0.03161025083379966,
"volume": 158.17653666492538,
"volume_molar": 19.051227374509633,
"formula_full": "Sb2 Te2 Se1",
"formula_reduced": "Sb2Te2Se",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.33131822,
"spacegroup": 166
},
{
"id": "jvasp-1070",
"created_at": "2022-09-04T14:37:10.044239Z",
"updated_at": "2022-09-04T14:37:10.044263Z",
"structure_string": "Sb2 Te3\n1.0\n4.259469 0.003256 9.647916\n2.037601 3.740490 9.647916\n0.005477 0.003256 10.546342\nSb Te\n2 3\ndirect\n0.601651 0.601653 0.601651 Sb\n0.398348 0.398349 0.398348 Sb\n0.787458 0.787460 0.787457 Te\n0.212542 0.212542 0.212542 Te\n0.000000 0.000000 0.000000 Te\n",
"nsites": 5,
"nelements": 2,
"elements": [
"Sb",
"Te"
],
"chemical_system": "Sb-Te",
"density": 6.202004870505626,
"density_atomic": 0.029816504612097325,
"volume": 167.69235914968286,
"volume_molar": 20.19733982351728,
"formula_full": "Sb2 Te3",
"formula_reduced": "Sb2Te3",
"formula_anonymous": "A2B3",
"energy_above_hull": 1.2426511000000002,
"spacegroup": 166
},
{
"id": "jvasp-8751",
"created_at": "2022-09-04T14:37:13.519622Z",
"updated_at": "2022-09-04T14:37:13.519639Z",
"structure_string": "Sb2 Te4 Pb1\n1.0\n4.353932 -0.008489 13.586483\n2.116716 3.804774 13.586483\n-0.014469 -0.008489 14.267061\nSb Te Pb\n2 4 1\ndirect\n0.572357 0.572356 0.572357 Sb\n0.427644 0.427642 0.427643 Sb\n0.714172 0.714170 0.714172 Te\n0.133741 0.133741 0.133741 Te\n0.866260 0.866258 0.866259 Te\n0.285829 0.285828 0.285829 Te\n0.000000 0.000000 0.000000 Pb\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Sb",
"Te",
"Pb"
],
"chemical_system": "Pb-Sb-Te",
"density": 6.7168428101298,
"density_atomic": 0.02946025575949094,
"volume": 237.60825626046625,
"volume_molar": 20.44157664198113,
"formula_full": "Sb2 Te4 Pb1",
"formula_reduced": "Sb2Te4Pb",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.131103440952381,
"spacegroup": 166
},
{
"id": "jvasp-113729",
"created_at": "2022-09-04T14:38:46.527327Z",
"updated_at": "2022-09-04T14:38:46.527365Z",
"structure_string": "Sb2 Te1 O2\n1.0\n-0.379927 3.507997 4.426863\n3.507875 -0.379935 4.426863\n3.127948 3.128062 0.000000\nSb Te O\n2 1 2\ndirect\n0.668038 0.668036 0.331964 Sb\n0.413570 0.413569 0.086431 Sb\n0.032579 0.032579 0.467421 Te\n0.412199 0.412198 0.587802 O\n-0.026385 -0.026385 0.026385 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Sb",
"Te",
"O"
],
"chemical_system": "O-Sb-Te",
"density": 6.216947991683089,
"density_atomic": 0.04643709982820585,
"volume": 107.67252947530123,
"volume_molar": 12.968382569710261,
"formula_full": "Sb2 Te1 O2",
"formula_reduced": "Sb2TeO2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.857569393333333,
"spacegroup": 44
},
{
"id": "jvasp-12144",
"created_at": "2022-09-04T14:37:33.354344Z",
"updated_at": "2022-09-04T14:37:33.354366Z",
"structure_string": "Sb2 Te1 Se2\n1.0\n4.044627 -0.026654 9.227801\n1.912081 3.564220 9.227801\n-0.044881 -0.026654 10.075184\nSb Te Se\n2 1 2\ndirect\n0.595653 0.595655 0.595652 Sb\n0.404346 0.404347 0.404346 Sb\n0.000000 0.000000 0.000000 Te\n0.210861 0.210862 0.210861 Se\n0.789138 0.789140 0.789137 Se\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Sb",
"Te",
"Se"
],
"chemical_system": "Sb-Se-Te",
"density": 5.94505647177033,
"density_atomic": 0.03383672965326089,
"volume": 147.7684176702976,
"volume_molar": 17.797644221860068,
"formula_full": "Sb2 Te1 Se2",
"formula_reduced": "Sb2TeSe2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.4331133400000002,
"spacegroup": 166
}
]
}