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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-elements&page=1164",
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"results": [
{
"id": "jvasp-3936",
"created_at": "2022-09-04T14:36:34.325591Z",
"updated_at": "2022-09-04T14:36:34.325613Z",
"structure_string": "Th2 N2 Cl2\n1.0\n4.108496 0.000000 0.000000\n0.000000 4.108496 0.000000\n0.000000 0.000000 6.953226\nTh N Cl\n2 2 2\ndirect\n0.500001 0.000000 0.833597 Th\n0.000000 0.500001 0.166404 Th\n0.500001 0.500001 0.000000 N\n0.000000 0.000000 0.000000 N\n0.000000 0.500001 0.620437 Cl\n0.500001 0.000000 0.379563 Cl\n",
"nsites": 6,
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"elements": [
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"N",
"Cl"
],
"chemical_system": "Cl-N-Th",
"density": 7.9652966364946876,
"density_atomic": 0.05112097967319775,
"volume": 117.36864274425757,
"volume_molar": 11.780174790267862,
"formula_full": "Th2 N2 Cl2",
"formula_reduced": "ThNCl",
"formula_anonymous": "ABC",
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"spacegroup": 129
},
{
"id": "jvasp-15387",
"created_at": "2022-09-04T14:36:59.092107Z",
"updated_at": "2022-09-04T14:36:59.092128Z",
"structure_string": "Th1 Mn2 Si2\n1.0\n3.768033 -0.000000 -1.350943\n-0.484350 3.736774 -1.350943\n-0.000251 -0.000286 5.929646\nTh Mn Si\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Th\n0.250000 0.749999 0.500000 Mn\n0.750000 0.249999 0.500000 Mn\n0.374485 0.374484 0.748971 Si\n0.625514 0.625514 0.251030 Si\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Th",
"Mn",
"Si"
],
"chemical_system": "Mn-Si-Th",
"density": 7.9177159139382685,
"density_atomic": 0.059888694350826756,
"volume": 83.48821182692849,
"volume_molar": 10.055555268449202,
"formula_full": "Th1 Mn2 Si2",
"formula_reduced": "Th(MnSi)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 3.750737456551724,
"spacegroup": 139
},
{
"id": "jvasp-21724",
"created_at": "2022-09-04T14:38:34.367365Z",
"updated_at": "2022-09-04T14:38:34.367380Z",
"structure_string": "Th2 Mn2 Se6\n1.0\n4.047230 0.000000 0.000000\n-2.023615 6.340571 -0.000000\n0.000000 -0.000000 9.354454\nTh Mn Se\n2 2 6\ndirect\n0.249616 0.499234 0.250000 Th\n0.750382 0.500766 0.750000 Th\n0.000000 0.000000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.080508 0.161018 0.750000 Se\n0.919490 0.838982 0.250000 Se\n0.357368 0.714739 0.942294 Se\n0.642630 0.285261 0.057706 Se\n0.642630 0.285261 0.442294 Se\n0.357368 0.714739 0.557706 Se\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Th",
"Mn",
"Se"
],
"chemical_system": "Mn-Se-Th",
"density": 7.247469615988211,
"density_atomic": 0.041657701208223034,
"volume": 240.05165215468122,
"volume_molar": 14.456248389460475,
"formula_full": "Th2 Mn2 Se6",
"formula_reduced": "ThMnSe3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.2630705882758617,
"spacegroup": 63
},
{
"id": "jvasp-104681",
"created_at": "2022-09-04T14:36:43.207188Z",
"updated_at": "2022-09-04T14:36:43.207211Z",
"structure_string": "Th1 Mn3 Ni2\n1.0\n4.839590 0.000000 0.000000\n-2.419795 4.191207 0.000000\n-0.000000 -0.000000 4.195176\nTh Mn Ni\n1 3 2\ndirect\n0.000000 0.000000 0.000000 Th\n0.500000 0.500000 0.500000 Mn\n0.500000 -0.000000 0.500000 Mn\n-0.000000 0.500000 0.500000 Mn\n0.666667 0.333334 -0.000000 Ni\n0.333333 0.666667 -0.000000 Ni\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Th",
"Mn",
"Ni"
],
"chemical_system": "Mn-Ni-Th",
"density": 10.034973659225223,
"density_atomic": 0.07051043328944422,
"volume": 85.09378995545374,
"volume_molar": 8.540779681893609,
"formula_full": "Th1 Mn3 Ni2",
"formula_reduced": "ThMn3Ni2",
"formula_anonymous": "AB2C3",
"energy_above_hull": 3.343783687356322,
"spacegroup": 191
},
{
"id": "jvasp-86433",
"created_at": "2022-09-04T14:35:41.740508Z",
"updated_at": "2022-09-04T14:35:41.740536Z",
"structure_string": "Th2 Mn1 N3\n1.0\n3.429432 -0.000000 -0.909397\n-0.279921 3.695739 -1.055611\n-0.007989 -0.041576 6.890945\nTh Mn N\n2 1 3\ndirect\n0.643977 0.643977 0.287953 Th\n0.356023 0.356022 0.712046 Th\n0.000000 0.000000 0.000000 Mn\n0.837140 0.837140 0.674280 N\n0.162859 0.162859 0.325719 N\n0.000000 0.500000 0.000000 N\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Th",
"Mn",
"N"
],
"chemical_system": "Mn-N-Th",
"density": 10.689854406431412,
"density_atomic": 0.06884692644754928,
"volume": 87.14985998062053,
"volume_molar": 8.74714540029313,
"formula_full": "Th2 Mn1 N3",
"formula_reduced": "Th2MnN3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 4.637953031896552,
"spacegroup": 71
},
{
"id": "jvasp-18032",
"created_at": "2022-09-04T14:38:12.283349Z",
"updated_at": "2022-09-04T14:38:12.283376Z",
"structure_string": "Th1 Mn2 Ge2\n1.0\n3.802550 -0.000000 -1.330949\n-0.465852 3.773906 -1.330949\n0.016127 0.018240 6.143534\nTh Mn Ge\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Th\n0.250001 0.750001 0.500000 Mn\n0.750000 0.250000 0.500000 Mn\n0.623863 0.623863 0.247725 Ge\n0.376139 0.376138 0.752274 Ge\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Th",
"Mn",
"Ge"
],
"chemical_system": "Ge-Mn-Th",
"density": 9.157108427176706,
"density_atomic": 0.056594887194455636,
"volume": 88.34720321679215,
"volume_molar": 10.640785870476943,
"formula_full": "Th1 Mn2 Ge2",
"formula_reduced": "Th(MnGe)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 2.781316396551724,
"spacegroup": 139
},
{
"id": "jvasp-107029",
"created_at": "2022-09-04T14:36:56.934612Z",
"updated_at": "2022-09-04T14:36:56.934623Z",
"structure_string": "Th1 Mn2 Co3\n1.0\n5.087921 -0.000000 0.000000\n-2.543960 4.406269 0.000000\n-0.000000 -0.000000 3.865838\nTh Mn Co\n1 2 3\ndirect\n0.000000 0.000000 0.000000 Th\n0.666667 0.333333 -0.000000 Mn\n0.333333 0.666667 -0.000000 Mn\n0.500000 0.500000 0.500000 Co\n0.500000 0.000000 0.500000 Co\n0.000000 0.500000 0.500000 Co\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Th",
"Mn",
"Co"
],
"chemical_system": "Co-Mn-Th",
"density": 9.938522564808983,
"density_atomic": 0.06923030312941206,
"volume": 86.66725016044221,
"volume_molar": 8.698706329138593,
"formula_full": "Th1 Mn2 Co3",
"formula_reduced": "ThMn2Co3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 3.992425463793104,
"spacegroup": 191
},
{
"id": "jvasp-106716",
"created_at": "2022-09-04T14:36:57.827064Z",
"updated_at": "2022-09-04T14:36:57.827088Z",
"structure_string": "Th2 Mn2 Al2\n1.0\n4.764465 -0.090588 -2.449334\n-1.805555 4.338058 -2.574643\n0.168318 0.090588 5.354534\nTh Mn Al\n2 2 2\ndirect\n0.145257 0.895258 0.250000 Th\n0.854741 0.104742 0.750000 Th\n0.499999 -0.000000 0.000000 Mn\n0.499999 0.500000 0.500000 Mn\n-0.000000 0.500000 0.500000 Al\n0.499999 0.500000 0.000000 Al\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Th",
"Mn",
"Al"
],
"chemical_system": "Al-Mn-Th",
"density": 9.216303521751549,
"density_atomic": 0.053034425100442234,
"volume": 113.13406317946432,
"volume_molar": 11.35515422029112,
"formula_full": "Th2 Mn2 Al2",
"formula_reduced": "ThMnAl",
"formula_anonymous": "ABC",
"energy_above_hull": 2.7046018804597702,
"spacegroup": 74
},
{
"id": "jvasp-38755",
"created_at": "2022-09-04T14:38:02.071775Z",
"updated_at": "2022-09-04T14:38:02.071793Z",
"structure_string": "Th1 Mg1 Zn2\n1.0\n-0.000000 3.510564 3.510564\n3.510564 0.000000 3.510564\n3.510564 3.510564 0.000000\nTh Mg Zn\n1 1 2\ndirect\n0.749999 0.749999 0.749999 Th\n0.250002 0.250002 0.250002 Mg\n0.000000 0.000000 0.000000 Zn\n0.499999 0.499999 0.499999 Zn\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Th",
"Mg",
"Zn"
],
"chemical_system": "Mg-Th-Zn",
"density": 7.429850706430116,
"density_atomic": 0.04622738329662599,
"volume": 86.52879991786057,
"volume_molar": 13.027215322480819,
"formula_full": "Th1 Mg1 Zn2",
"formula_reduced": "ThMgZn2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-109609",
"created_at": "2022-09-04T14:38:05.447276Z",
"updated_at": "2022-09-04T14:38:05.447306Z",
"structure_string": "Th1 Mg1 Rh2\n1.0\n4.146441 -0.000000 2.393949\n1.382147 3.909303 2.393949\n-0.000000 -0.000000 4.787898\nTh Mg Rh\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Th\n0.500000 0.500000 0.500000 Mg\n0.250000 0.250000 0.250000 Rh\n0.750000 0.750000 0.750001 Rh\n",
"nsites": 4,
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"elements": [
"Th",
"Mg",
"Rh"
],
"chemical_system": "Mg-Rh-Th",
"density": 9.888175307518054,
"density_atomic": 0.05153950921215192,
"volume": 77.61036263529039,
"volume_molar": 11.684513205609083,
"formula_full": "Th1 Mg1 Rh2",
"formula_reduced": "ThMgRh2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.8849051625,
"spacegroup": 225
},
{
"id": "jvasp-105867",
"created_at": "2022-09-04T14:36:04.523840Z",
"updated_at": "2022-09-04T14:36:04.523869Z",
"structure_string": "Th1 Mg1 Hg2\n1.0\n4.502280 -0.000000 2.599392\n1.500760 4.244789 2.599392\n0.000000 0.000000 5.198784\nTh Mg Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Th\n0.500000 0.500000 0.499999 Mg\n0.250000 0.250000 0.250000 Hg\n0.750000 0.750000 0.749999 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Th",
"Mg",
"Hg"
],
"chemical_system": "Hg-Mg-Th",
"density": 10.989291779112545,
"density_atomic": 0.04025961429817938,
"volume": 99.35514956438338,
"volume_molar": 14.958267397689236,
"formula_full": "Th1 Mg1 Hg2",
"formula_reduced": "ThMgHg2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-107992",
"created_at": "2022-09-04T14:38:30.306298Z",
"updated_at": "2022-09-04T14:38:30.306323Z",
"structure_string": "Th1 Mg1 Au2\n1.0\n4.364158 -0.000000 2.519648\n1.454719 4.114567 2.519648\n-0.000000 -0.000000 5.039295\nTh Mg Au\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Th\n0.500000 0.500000 0.500001 Mg\n0.250000 0.250000 0.250000 Au\n0.750000 0.750000 0.750001 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"Mg",
"Au"
],
"chemical_system": "Au-Mg-Th",
"density": 11.933080452958437,
"density_atomic": 0.04420441063903402,
"volume": 90.4887078500683,
"volume_molar": 13.623393396590705,
"formula_full": "Th1 Mg1 Au2",
"formula_reduced": "ThMgAu2",
"formula_anonymous": "ABC2",
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"spacegroup": 225
}
]
}