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=-id&page=4103",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-id&page=4101",
"results": [
{
"id": "jvasp-109419",
"created_at": "2022-09-04T14:38:19.302443Z",
"updated_at": "2022-09-04T14:38:19.302470Z",
"structure_string": "Hf1 Cr1 Ag1 S4\n1.0\n3.595177 0.000000 0.000000\n0.000000 6.112719 0.113243\n-0.000000 -0.049668 6.447354\nHf Cr Ag S\n1 1 1 4\ndirect\n0.500000 -0.000000 -0.000000 Hf\n-0.000000 0.500000 -0.000000 Cr\n-0.000000 0.500000 0.499999 Ag\n-0.000000 0.825415 0.224355 S\n0.500000 0.343926 0.213940 S\n0.500000 0.656074 0.786059 S\n-0.000000 0.174584 0.775644 S\n",
"nsites": 7,
"nelements": 4,
"elements": [
"Hf",
"Cr",
"Ag",
"S"
],
"chemical_system": "Ag-Cr-Hf-S",
"density": 5.467753666462532,
"density_atomic": 0.0493969163874227,
"volume": 141.70925053496498,
"volume_molar": 12.191329338795208,
"formula_full": "Hf1 Cr1 Ag1 S4",
"formula_reduced": "HfCrAgS4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.7207839514285723,
"spacegroup": 10
},
{
"id": "jvasp-109417",
"created_at": "2022-09-04T14:38:12.443230Z",
"updated_at": "2022-09-04T14:38:12.443257Z",
"structure_string": "Ba1 Fe1 O2 F1\n1.0\n3.895267 -0.000000 0.000000\n0.000000 3.895267 0.000000\n-0.000000 -0.000000 4.347479\nBa Fe O F\n1 1 2 1\ndirect\n0.000000 0.000000 0.000000 Ba\n0.500000 0.500000 0.500000 Fe\n0.500000 0.000000 0.500000 O\n-0.000000 0.500000 0.500000 O\n0.500000 0.500000 -0.000000 F\n",
"nsites": 5,
"nelements": 4,
"elements": [
"Ba",
"Fe",
"O",
"F"
],
"chemical_system": "Ba-F-Fe-O",
"density": 6.146502000566323,
"density_atomic": 0.07579805265511803,
"volume": 65.9647553578989,
"volume_molar": 7.944980839284627,
"formula_full": "Ba1 Fe1 O2 F1",
"formula_reduced": "BaFeO2F",
"formula_anonymous": "ABCD2",
"energy_above_hull": 1.1766897505000002,
"spacegroup": 123
},
{
"id": "jvasp-109416",
"created_at": "2022-09-04T14:38:09.829412Z",
"updated_at": "2022-09-04T14:38:09.829442Z",
"structure_string": "Bi1 Pb2 F7\n1.0\n3.956158 0.032150 -8.919829\n-0.148143 3.953514 -8.919829\n-0.030717 -0.032150 9.757745\nBi Pb F\n1 2 7\ndirect\n0.500001 0.499999 -0.000000 Bi\n0.833808 0.833806 -0.000000 Pb\n0.166193 0.166193 -0.000000 Pb\n0.250000 0.749999 0.500000 F\n0.584558 0.084558 0.500000 F\n0.915442 0.415441 0.500000 F\n0.084558 0.584558 0.500000 F\n0.415442 0.915441 0.500000 F\n0.750000 0.250000 0.500000 F\n0.000000 0.000000 0.000000 F\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Bi",
"Pb",
"F"
],
"chemical_system": "Bi-F-Pb",
"density": 8.35019816524071,
"density_atomic": 0.0664834941099146,
"volume": 150.41327375885788,
"volume_molar": 9.058099067482564,
"formula_full": "Bi1 Pb2 F7",
"formula_reduced": "BiPb2F7",
"formula_anonymous": "AB2C7",
"energy_above_hull": 0.0,
"spacegroup": 139
},
{
"id": "jvasp-109415",
"created_at": "2022-09-04T14:38:17.854222Z",
"updated_at": "2022-09-04T14:38:17.854259Z",
"structure_string": "Ba1 Zn1 In3\n1.0\n4.508621 -0.047889 -5.226933\n-0.658884 4.460474 -5.226933\n0.041780 0.047889 6.902662\nBa Zn In\n1 1 3\ndirect\n0.002993 0.002993 0.000000 Ba\n0.618988 0.618987 0.000000 Zn\n0.742199 0.242199 0.500000 In\n0.242200 0.742199 0.500000 In\n0.393620 0.393620 0.000000 In\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ba",
"Zn",
"In"
],
"chemical_system": "Ba-In-Zn",
"density": 6.449821947688571,
"density_atomic": 0.03549200063902922,
"volume": 140.87681477447308,
"volume_molar": 16.96760016784649,
"formula_full": "Ba1 Zn1 In3",
"formula_reduced": "BaZnIn3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.0,
"spacegroup": 107
},
{
"id": "jvasp-109413",
"created_at": "2022-09-04T14:38:18.213521Z",
"updated_at": "2022-09-04T14:38:18.213549Z",
"structure_string": "Ca1 La1 Co2 O6\n1.0\n4.634904 -0.000000 2.675963\n1.544968 4.369829 2.675963\n-0.000000 -0.000000 5.351926\nCa La Co O\n1 1 2 6\ndirect\n0.500000 0.500000 0.500000 Ca\n0.000000 0.000000 0.000000 La\n0.250000 0.250000 0.250000 Co\n0.750000 0.750000 0.750000 Co\n0.000000 0.500000 -0.000000 O\n0.500000 0.000000 0.500000 O\n0.500000 0.000000 -0.000000 O\n0.000000 0.500000 0.500000 O\n0.000000 0.000000 0.500000 O\n0.500000 0.500000 -0.000000 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Ca",
"La",
"Co",
"O"
],
"chemical_system": "Ca-Co-La-O",
"density": 6.0180589099104065,
"density_atomic": 0.09225389563331199,
"volume": 108.39650652529298,
"volume_molar": 6.527790201875728,
"formula_full": "Ca1 La1 Co2 O6",
"formula_reduced": "CaLa(CoO3)2",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.471211822000001,
"spacegroup": 225
},
{
"id": "jvasp-109412",
"created_at": "2022-09-04T14:38:17.125600Z",
"updated_at": "2022-09-04T14:38:17.125619Z",
"structure_string": "Ce2 Ga5 Au3\n1.0\n4.306210 0.000000 0.000000\n0.000000 4.306210 0.000000\n-0.000000 -0.000000 11.284563\nCe Ga Au\n2 5 3\ndirect\n0.500000 0.000000 0.248779 Ce\n-0.000000 0.500000 0.751220 Ce\n0.500000 0.500000 -0.000000 Ga\n0.000000 0.000000 0.000000 Ga\n0.500000 0.000000 0.871668 Ga\n-0.000000 0.500000 0.128332 Ga\n0.500000 0.500000 0.500000 Ga\n0.500000 0.000000 0.652257 Au\n-0.000000 0.500000 0.347743 Au\n0.000000 0.000000 0.500000 Au\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Ce",
"Ga",
"Au"
],
"chemical_system": "Au-Ce-Ga",
"density": 9.679292097126126,
"density_atomic": 0.0477886590319714,
"volume": 209.254668420594,
"volume_molar": 12.601610679159439,
"formula_full": "Ce2 Ga5 Au3",
"formula_reduced": "Ce2Ga5Au3",
"formula_anonymous": "A2B3C5",
"energy_above_hull": 0.3615255334999998,
"spacegroup": 115
},
{
"id": "jvasp-109411",
"created_at": "2022-09-04T14:38:18.361389Z",
"updated_at": "2022-09-04T14:38:18.361408Z",
"structure_string": "Ce2 Al3 Fe1\n1.0\n4.736449 0.045692 2.745122\n1.603410 4.457030 2.745122\n0.064335 0.045692 5.474076\nCe Al Fe\n2 3 1\ndirect\n0.629882 0.629882 0.629883 Ce\n0.370117 0.370117 0.370118 Ce\n0.000000 0.500000 -0.000000 Al\n0.500000 -0.000000 -0.000000 Al\n-0.000000 -0.000000 0.500001 Al\n0.000000 0.000000 0.000000 Fe\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ce",
"Al",
"Fe"
],
"chemical_system": "Al-Ce-Fe",
"density": 6.075065778973205,
"density_atomic": 0.05263741716078016,
"volume": 113.98735583231782,
"volume_molar": 11.440798361373748,
"formula_full": "Ce2 Al3 Fe1",
"formula_reduced": "Ce2Al3Fe",
"formula_anonymous": "AB2C3",
"energy_above_hull": 2.3160541500000003,
"spacegroup": 166
},
{
"id": "jvasp-109410",
"created_at": "2022-09-04T14:38:28.255868Z",
"updated_at": "2022-09-04T14:38:28.255957Z",
"structure_string": "Cd1 Fe1 P2 S6\n1.0\n6.052712 -0.005796 0.879201\n-3.230110 5.118764 0.879201\n0.032251 0.058421 6.780218\nCd Fe P S\n1 1 2 6\ndirect\n0.668779 0.331219 0.000000 Cd\n0.325410 0.674589 0.000000 Fe\n0.055408 0.054012 0.827459 P\n0.945987 0.944590 0.172541 P\n0.111677 0.419447 0.745105 S\n0.392598 0.053198 0.743267 S\n0.946800 0.607401 0.256733 S\n0.580552 0.888321 0.254895 S\n0.740788 0.768005 0.751532 S\n0.231993 0.259211 0.248469 S\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Cd",
"Fe",
"P",
"S"
],
"chemical_system": "Cd-Fe-P-S",
"density": 3.35246698015531,
"density_atomic": 0.047774106577942496,
"volume": 209.31840941253816,
"volume_molar": 12.60544925141614,
"formula_full": "Cd1 Fe1 P2 S6",
"formula_reduced": "CdFe(PS3)2",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.223976625,
"spacegroup": 5
},
{
"id": "jvasp-10941",
"created_at": "2022-09-04T14:37:12.924490Z",
"updated_at": "2022-09-04T14:37:12.924515Z",
"structure_string": "Ni4 O8\n1.0\n2.852894 0.000417 0.000295\n1.425435 6.733248 -0.001817\n1.425557 0.023932 6.720282\nNi O\n4 8\ndirect\n0.830190 0.816135 0.518413 Ni\n0.645828 0.518426 0.184866 Ni\n0.348245 0.481212 0.817266 Ni\n0.163845 0.183503 0.483722 Ni\n0.541556 0.280007 0.631821 O\n0.824184 0.628097 0.718494 O\n0.169884 0.371541 0.283640 O\n0.452491 0.719628 0.370316 O\n0.198604 0.951692 0.646047 O\n0.151329 0.644904 0.047390 O\n0.795440 0.047947 0.356088 O\n0.842746 0.354735 0.954746 O\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Ni",
"O"
],
"chemical_system": "Ni-O",
"density": 4.666634633316828,
"density_atomic": 0.09296212016150263,
"volume": 129.08483562070722,
"volume_molar": 6.478058750744674,
"formula_full": "Ni4 O8",
"formula_reduced": "NiO2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.4740331333333336,
"spacegroup": 87
},
{
"id": "jvasp-109409",
"created_at": "2022-09-04T14:38:28.239003Z",
"updated_at": "2022-09-04T14:38:28.239034Z",
"structure_string": "Ce2 Ru2 Rh2\n1.0\n4.688609 0.031281 -2.749404\n-1.355857 4.275269 -3.070339\n0.001542 -0.031281 5.435281\nCe Ru Rh\n2 2 2\ndirect\n0.375725 0.125725 0.250000 Ce\n0.624274 0.874275 0.750000 Ce\n-0.000000 0.500000 -0.000000 Ru\n-0.000000 0.000000 0.500000 Ru\n0.500000 0.500000 0.000000 Rh\n-0.000000 0.500000 0.500000 Rh\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ce",
"Ru",
"Rh"
],
"chemical_system": "Ce-Rh-Ru",
"density": 10.519490212546808,
"density_atomic": 0.055232271769536496,
"volume": 108.63214218375344,
"volume_molar": 10.903300854848283,
"formula_full": "Ce2 Ru2 Rh2",
"formula_reduced": "CeRuRh",
"formula_anonymous": "ABC",
"energy_above_hull": 2.6469096666666667,
"spacegroup": 74
},
{
"id": "jvasp-109407",
"created_at": "2022-09-04T14:38:27.651969Z",
"updated_at": "2022-09-04T14:38:27.651992Z",
"structure_string": "Cr4 Te3 Se1\n1.0\n4.024893 0.000000 0.000000\n-2.012447 3.485659 0.000000\n-0.000000 -0.000000 12.539463\nCr Te Se\n4 3 1\ndirect\n0.000000 0.000000 0.116831 Cr\n0.000000 0.000000 0.627673 Cr\n0.000000 0.000000 0.372327 Cr\n0.000000 0.000000 0.883169 Cr\n0.666666 0.333333 0.500000 Te\n0.333333 0.666667 0.244371 Te\n0.333333 0.666667 0.755628 Te\n0.666666 0.333333 -0.000000 Se\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Cr",
"Te",
"Se"
],
"chemical_system": "Cr-Se-Te",
"density": 6.321789236791968,
"density_atomic": 0.04547490613096056,
"volume": 175.92119875874536,
"volume_molar": 13.242777769913774,
"formula_full": "Cr4 Te3 Se1",
"formula_reduced": "Cr4Te3Se",
"formula_anonymous": "AB3C4",
"energy_above_hull": 3.3851495333333337,
"spacegroup": 187
},
{
"id": "jvasp-109406",
"created_at": "2022-09-04T14:38:27.089829Z",
"updated_at": "2022-09-04T14:38:27.089860Z",
"structure_string": "Er2 Si1 Ge1\n1.0\n5.663444 -0.000078 0.000000\n-4.087420 3.920152 0.000000\n-0.000000 -0.000000 3.866129\nEr Si Ge\n2 1 1\ndirect\n0.138743 0.861256 0.500000 Er\n0.860116 0.139882 -0.000000 Er\n0.584106 0.415892 -0.000000 Si\n0.417031 0.582968 0.500000 Ge\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Er",
"Si",
"Ge"
],
"chemical_system": "Er-Ge-Si",
"density": 8.42030397472313,
"density_atomic": 0.0466021946752049,
"volume": 85.83286748356156,
"volume_molar": 12.922440245510867,
"formula_full": "Er2 Si1 Ge1",
"formula_reduced": "Er2SiGe",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.4546711375,
"spacegroup": 38
}
]
}