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=formula_anonymous&page=1247",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_anonymous&page=1245",
"results": [
{
"id": "jvasp-110531",
"created_at": "2022-09-04T14:38:38.706179Z",
"updated_at": "2022-09-04T14:38:38.706190Z",
"structure_string": "U2 Si3 Ni1\n1.0\n3.899542 0.000000 0.000000\n0.000000 4.022503 0.000000\n0.000000 0.000000 6.897743\nU Si Ni\n2 3 1\ndirect\n0.000000 0.500000 0.000610 U\n0.000000 0.000000 0.501207 U\n0.500000 0.000000 0.835340 Si\n0.500000 0.000000 0.175003 Si\n0.500000 0.500000 0.657816 Si\n0.500000 0.500000 0.330022 Ni\n",
"nsites": 6,
"nelements": 3,
"elements": [
"U",
"Si",
"Ni"
],
"chemical_system": "Ni-Si-U",
"density": 9.50009995592704,
"density_atomic": 0.055454176747682535,
"volume": 108.197440695948,
"volume_molar": 10.859670295712519,
"formula_full": "U2 Si3 Ni1",
"formula_reduced": "U2Si3Ni",
"formula_anonymous": "AB2C3",
"energy_above_hull": 4.0793217,
"spacegroup": 25
},
{
"id": "jvasp-118341",
"created_at": "2022-09-04T14:38:38.964075Z",
"updated_at": "2022-09-04T14:38:38.964108Z",
"structure_string": "Ti2 O3 F1\n1.0\n2.974585 0.000000 0.000000\n0.000000 3.250099 3.437730\n0.000000 -3.250099 3.437730\nTi O F\n2 3 1\ndirect\n0.000000 0.017291 0.017291 Ti\n0.500001 0.479864 0.479864 Ti\n0.500001 0.201774 0.201774 O\n0.000000 0.301120 0.699255 O\n0.000000 0.699255 0.301120 O\n0.500001 0.800697 0.800697 F\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ti",
"O",
"F"
],
"chemical_system": "F-O-Ti",
"density": 4.065309344843285,
"density_atomic": 0.09026648203089827,
"volume": 66.46985531070322,
"volume_molar": 6.671513749631472,
"formula_full": "Ti2 O3 F1",
"formula_reduced": "Ti2O3F",
"formula_anonymous": "AB2C3",
"energy_above_hull": 2.1790929081944443,
"spacegroup": 38
},
{
"id": "jvasp-110609",
"created_at": "2022-09-04T14:38:38.894629Z",
"updated_at": "2022-09-04T14:38:38.894641Z",
"structure_string": "Ca2 Zn3 Ag1\n1.0\n4.481469 0.038442 3.624106\n2.094267 3.962208 3.624106\n0.005712 0.003475 7.318939\nCa Zn Ag\n2 3 1\ndirect\n0.547721 0.547720 0.699482 Ca\n0.452684 0.452683 0.297086 Ca\n0.828344 0.828342 0.732490 Zn\n0.842590 0.842590 0.099783 Zn\n0.166841 0.166839 0.886593 Zn\n0.161825 0.161824 0.284571 Ag\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ca",
"Zn",
"Ag"
],
"chemical_system": "Ag-Ca-Zn",
"density": 4.93634901840799,
"density_atomic": 0.04641867919675549,
"volume": 129.25830945270368,
"volume_molar": 12.973528898730336,
"formula_full": "Ca2 Zn3 Ag1",
"formula_reduced": "Ca2Zn3Ag",
"formula_anonymous": "AB2C3",
"energy_above_hull": 0.0,
"spacegroup": 8
},
{
"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-110536",
"created_at": "2022-09-04T14:38:39.050847Z",
"updated_at": "2022-09-04T14:38:39.050868Z",
"structure_string": "Th1 Co2 Ni3\n1.0\n4.964832 0.047917 0.000000\n-2.598129 4.231026 0.000000\n0.000000 0.000000 3.968897\nTh Co Ni\n1 2 3\ndirect\n0.500000 0.500001 0.000000 Th\n0.000000 0.500001 0.500000 Co\n0.500000 0.000000 0.500000 Co\n0.000000 0.000000 0.500000 Ni\n0.170470 0.829532 0.000000 Ni\n0.829531 0.170470 0.000000 Ni\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Th",
"Co",
"Ni"
],
"chemical_system": "Co-Ni-Th",
"density": 10.414437737946855,
"density_atomic": 0.07154263153783559,
"volume": 83.86607916186138,
"volume_molar": 8.417555561700535,
"formula_full": "Th1 Co2 Ni3",
"formula_reduced": "ThCo2Ni3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 2.362112433333333,
"spacegroup": 65
},
{
"id": "jvasp-29199",
"created_at": "2022-09-04T14:37:36.064762Z",
"updated_at": "2022-09-04T14:37:36.064777Z",
"structure_string": "Te6 Mo4 Se2\n1.0\n3.505187 0.000000 0.000000\n-1.752594 3.035605 -0.000022\n0.000000 -0.000231 37.318851\nTe Mo Se\n6 4 2\ndirect\n0.333395 0.666790 0.325867 Te\n0.333183 0.666365 0.711243 Te\n0.666622 0.333240 0.420225 Te\n0.666621 0.333240 0.518603 Te\n0.333393 0.666784 0.227502 Te\n0.333181 0.666361 0.612924 Te\n0.333474 0.666946 0.094692 Mo\n0.333287 0.666573 0.469418 Mo\n0.666728 0.333452 0.276682 Mo\n0.666512 0.333023 0.662129 Mo\n0.666789 0.333576 0.051409 Se\n0.666832 0.333660 0.138054 Se\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Te",
"Mo",
"Se"
],
"chemical_system": "Mo-Se-Te",
"density": 5.466797646213142,
"density_atomic": 0.03022014406398871,
"volume": 397.0861281994874,
"volume_molar": 19.92757131550599,
"formula_full": "Te6 Mo4 Se2",
"formula_reduced": "Te3Mo2Se",
"formula_anonymous": "AB2C3",
"energy_above_hull": 2.926624744444444,
"spacegroup": 156
},
{
"id": "jvasp-86102",
"created_at": "2022-09-04T14:37:40.302713Z",
"updated_at": "2022-09-04T14:37:40.302745Z",
"structure_string": "Dy1 Ga2 Cu3\n1.0\n5.284899 0.000000 -0.000000\n-2.642450 4.576856 0.000000\n-0.000000 -0.000000 3.978897\nDy Ga Cu\n1 2 3\ndirect\n0.000000 0.000000 0.000000 Dy\n0.666667 0.333333 0.000000 Ga\n0.333333 0.666668 0.000000 Ga\n0.500000 0.000000 0.500000 Cu\n0.000000 0.500000 0.500000 Cu\n0.500000 0.500000 0.500000 Cu\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Dy",
"Ga",
"Cu"
],
"chemical_system": "Cu-Dy-Ga",
"density": 8.498900819947274,
"density_atomic": 0.06234255728244014,
"volume": 96.24244274769273,
"volume_molar": 9.659758955214114,
"formula_full": "Dy1 Ga2 Cu3",
"formula_reduced": "DyGa2Cu3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 0.0,
"spacegroup": 191
},
{
"id": "jvasp-35832",
"created_at": "2022-09-04T14:37:29.597464Z",
"updated_at": "2022-09-04T14:37:29.597489Z",
"structure_string": "Ca2 H3 Br1\n1.0\n1.945003 -3.368845 -0.000000\n1.945003 3.368845 0.000000\n0.000000 -0.000000 6.834125\nCa H Br\n2 3 1\ndirect\n0.666666 0.333332 0.185957 Ca\n0.333332 0.666666 0.814042 Ca\n0.666666 0.333332 0.849876 H\n0.333332 0.666666 0.150123 H\n0.000000 0.000000 0.000000 H\n0.000000 0.000000 0.500000 Br\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ca",
"H",
"Br"
],
"chemical_system": "Br-Ca-H",
"density": 3.023749114858702,
"density_atomic": 0.06699417317633585,
"volume": 89.56002761922826,
"volume_molar": 8.989051546541338,
"formula_full": "Ca2 H3 Br1",
"formula_reduced": "Ca2H3Br",
"formula_anonymous": "AB2C3",
"energy_above_hull": 1.0727891575,
"spacegroup": 164
},
{
"id": "jvasp-23410",
"created_at": "2022-09-04T14:37:32.673867Z",
"updated_at": "2022-09-04T14:37:32.673892Z",
"structure_string": "Ce4 Co2 Si6\n1.0\n4.026688 -6.974428 0.000000\n4.026688 6.974428 0.000000\n0.000000 -0.000000 4.103041\nCe Co Si\n4 2 6\ndirect\n0.500000 0.500000 0.000000 Ce\n0.500000 0.000000 0.000000 Ce\n0.000000 0.500000 0.000000 Ce\n0.000000 0.000000 0.000000 Ce\n0.333333 0.666667 0.500000 Co\n0.666667 0.333333 0.500000 Co\n0.340893 0.170447 0.500000 Si\n0.170447 0.829554 0.500000 Si\n0.170447 0.340893 0.500000 Si\n0.659107 0.829554 0.500000 Si\n0.829554 0.170447 0.500000 Si\n0.829554 0.659107 0.500000 Si\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Ce",
"Co",
"Si"
],
"chemical_system": "Ce-Co-Si",
"density": 6.101825329767687,
"density_atomic": 0.052070148708123806,
"volume": 230.45833933114542,
"volume_molar": 11.565437989733349,
"formula_full": "Ce4 Co2 Si6",
"formula_reduced": "Ce2CoSi3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 3.03249295,
"spacegroup": 191
},
{
"id": "jvasp-35097",
"created_at": "2022-09-04T14:37:36.180023Z",
"updated_at": "2022-09-04T14:37:36.180046Z",
"structure_string": "Th2 H1 N3\n1.0\n2.016789 -3.493181 0.000000\n2.016789 3.493181 -0.000000\n-0.000000 -0.000000 6.131053\nTh H N\n2 1 3\ndirect\n0.333333 0.666667 0.748830 Th\n0.666667 0.333333 0.266596 Th\n0.000000 0.000000 0.154700 H\n0.333333 0.666667 0.347459 N\n0.666667 0.333333 0.646637 N\n0.000000 0.000000 0.985767 N\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Th",
"H",
"N"
],
"chemical_system": "H-N-Th",
"density": 9.747643815470493,
"density_atomic": 0.06945517838630172,
"volume": 86.38664732280564,
"volume_molar": 8.670542499373546,
"formula_full": "Th2 H1 N3",
"formula_reduced": "Th2HN3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 4.339026825,
"spacegroup": 156
},
{
"id": "jvasp-48471",
"created_at": "2022-09-04T14:37:41.274536Z",
"updated_at": "2022-09-04T14:37:41.274565Z",
"structure_string": "Na4 V2 O6\n1.0\n2.652907 4.594619 -0.005360\n-2.652907 4.594619 0.005360\n-1.813738 0.000000 5.339552\nNa V O\n4 2 6\ndirect\n0.157682 0.157683 0.500000 Na\n0.842317 0.842318 0.500000 Na\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Na\n0.667595 0.667595 0.000000 V\n0.332405 0.332405 0.000000 V\n0.308858 0.691142 0.797571 O\n0.068535 0.552708 0.200259 O\n0.447292 0.931465 0.200259 O\n0.931465 0.447292 0.799742 O\n0.552708 0.068535 0.799742 O\n0.691142 0.308858 0.202429 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Na",
"V",
"O"
],
"chemical_system": "Na-O-V",
"density": 3.699959313513885,
"density_atomic": 0.09225141956868003,
"volume": 130.0792991165426,
"volume_molar": 6.527965410349694,
"formula_full": "Na4 V2 O6",
"formula_reduced": "Na2VO3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 1.5072987833333331,
"spacegroup": 12
},
{
"id": "jvasp-35346",
"created_at": "2022-09-04T14:37:40.853446Z",
"updated_at": "2022-09-04T14:37:40.853466Z",
"structure_string": "Ce1 Al3 Pt2\n1.0\n2.737217 -4.740997 0.000000\n2.737217 4.740997 0.000000\n-0.000000 0.000000 4.203777\nCe Al Pt\n1 3 2\ndirect\n0.000000 0.000000 0.000000 Ce\n0.500001 0.500001 0.500000 Al\n0.000000 0.500000 0.500000 Al\n0.500000 0.000000 0.500000 Al\n0.666668 0.333334 0.000000 Pt\n0.333334 0.666668 0.000000 Pt\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ce",
"Al",
"Pt"
],
"chemical_system": "Al-Ce-Pt",
"density": 9.302596874288499,
"density_atomic": 0.05499240027223334,
"volume": 109.1059850142513,
"volume_molar": 10.950859991904533,
"formula_full": "Ce1 Al3 Pt2",
"formula_reduced": "CeAl3Pt2",
"formula_anonymous": "AB2C3",
"energy_above_hull": 2.146266116666667,
"spacegroup": 191
}
]
}