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=589",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=id&page=587",
"results": [
{
"id": "jvasp-110085",
"created_at": "2022-09-04T14:38:19.750984Z",
"updated_at": "2022-09-04T14:38:19.751003Z",
"structure_string": "Nd1 P2 Pd2\n1.0\n3.894813 -0.010909 -4.302321\n-0.586529 3.850412 -4.302321\n0.009400 0.010909 5.803400\nNd P Pd\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Nd\n0.387033 0.387033 -0.000000 P\n0.612966 0.612966 -0.000001 P\n0.749999 0.250000 0.500000 Pd\n0.250000 0.750000 0.500000 Pd\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Nd",
"P",
"Pd"
],
"chemical_system": "Nd-P-Pd",
"density": 7.9648390165136576,
"density_atomic": 0.05723389278980855,
"volume": 87.36082339117658,
"volume_molar": 10.52198350742332,
"formula_full": "Nd1 P2 Pd2",
"formula_reduced": "Nd(PPd)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 2.13554278,
"spacegroup": 139
},
{
"id": "jvasp-110086",
"created_at": "2022-09-04T14:38:26.249330Z",
"updated_at": "2022-09-04T14:38:26.249350Z",
"structure_string": "Th2 Co2 Si4\n1.0\n8.495406 -0.005704 0.000000\n-7.488193 4.012346 0.000000\n-0.000000 0.000000 4.100953\nTh Co Si\n2 2 4\ndirect\n0.608125 0.391878 0.749999 Th\n0.391878 0.608124 0.250000 Th\n0.820318 0.179684 0.749999 Co\n0.179685 0.820318 0.250000 Co\n0.958790 0.041212 0.749999 Si\n0.041212 0.958790 0.250000 Si\n0.250402 0.749601 0.749999 Si\n0.749601 0.250401 0.250000 Si\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Th",
"Co",
"Si"
],
"chemical_system": "Co-Si-Th",
"density": 8.257789474696803,
"density_atomic": 0.05730166222519478,
"volume": 139.6120058186114,
"volume_molar": 10.509539385320211,
"formula_full": "Th2 Co2 Si4",
"formula_reduced": "ThCoSi2",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.026150925,
"spacegroup": 63
},
{
"id": "jvasp-110087",
"created_at": "2022-09-04T14:38:27.188774Z",
"updated_at": "2022-09-04T14:38:27.188784Z",
"structure_string": "Sr2 Ca1 Os1 O6\n1.0\n5.063115 -0.000000 2.923191\n1.687705 4.773551 2.923191\n-0.000000 -0.000000 5.846382\nSr Ca Os O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Sr\n0.750001 0.750000 0.749999 Sr\n0.500001 0.500000 0.499999 Ca\n0.000000 0.000000 0.000000 Os\n0.767044 0.232956 0.232956 O\n0.232957 0.767043 0.767043 O\n0.232957 0.767043 0.232956 O\n0.767044 0.232956 0.767043 O\n0.232957 0.232956 0.767043 O\n0.767045 0.767043 0.232955 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Sr",
"Ca",
"Os",
"O"
],
"chemical_system": "Ca-O-Os-Sr",
"density": 5.89402448864182,
"density_atomic": 0.07077069373270692,
"volume": 141.30142679919027,
"volume_molar": 8.5093708177356,
"formula_full": "Sr2 Ca1 Os1 O6",
"formula_reduced": "Sr2CaOsO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.0122379040000005,
"spacegroup": 225
},
{
"id": "jvasp-110088",
"created_at": "2022-09-04T14:38:17.970711Z",
"updated_at": "2022-09-04T14:38:17.970746Z",
"structure_string": "Pr2 Ag2 Ge2\n1.0\n4.569351 0.000000 0.000000\n-2.284675 3.957174 0.000000\n-0.000000 -0.000000 7.717705\nPr Ag Ge\n2 2 2\ndirect\n0.000000 0.000000 0.012790 Pr\n0.000000 0.000000 0.512789 Pr\n0.666666 0.333333 0.284881 Ag\n0.333332 0.666666 0.784881 Ag\n0.666666 0.333333 0.725129 Ge\n0.333332 0.666666 0.225129 Ge\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Pr",
"Ag",
"Ge"
],
"chemical_system": "Ag-Ge-Pr",
"density": 7.6492444696745565,
"density_atomic": 0.042995540126553274,
"volume": 139.5493574993958,
"volume_molar": 14.006431230482052,
"formula_full": "Pr2 Ag2 Ge2",
"formula_reduced": "PrAgGe",
"formula_anonymous": "ABC",
"energy_above_hull": 0.4415143533333332,
"spacegroup": 186
},
{
"id": "jvasp-11009",
"created_at": "2022-09-04T14:37:10.167361Z",
"updated_at": "2022-09-04T14:37:10.167382Z",
"structure_string": "Y4 Cu4 S8\n1.0\n3.962986 0.000000 0.000000\n0.000000 6.272162 0.000000\n0.000000 0.000000 13.429740\nY Cu S\n4 4 8\ndirect\n0.249752 0.750724 0.633770 Y\n0.749752 0.749275 0.366230 Y\n0.750249 0.250724 0.866230 Y\n0.250249 0.249276 0.133770 Y\n0.750496 0.627907 0.046713 Cu\n0.249505 0.127907 0.453287 Cu\n0.250496 0.872093 0.953287 Cu\n0.749505 0.372093 0.546713 Cu\n0.749775 0.511380 0.705521 S\n0.249774 0.988620 0.294479 S\n0.250226 0.011380 0.794479 S\n0.750227 0.488620 0.205521 S\n0.749721 0.994730 0.539982 S\n0.750280 0.005270 0.039982 S\n0.250280 0.494730 0.960018 S\n0.249721 0.505270 0.460018 S\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Y",
"Cu",
"S"
],
"chemical_system": "Cu-S-Y",
"density": 4.309468771745185,
"density_atomic": 0.047930567687444435,
"volume": 333.81620064122984,
"volume_molar": 12.564300926436802,
"formula_full": "Y4 Cu4 S8",
"formula_reduced": "YCuS2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.1904739749999995,
"spacegroup": 62
},
{
"id": "jvasp-110090",
"created_at": "2022-09-04T14:37:54.975069Z",
"updated_at": "2022-09-04T14:37:54.975092Z",
"structure_string": "Mn3 P3 Pd3\n1.0\n6.380357 -0.000000 0.000000\n-3.190177 5.525551 0.000000\n0.000000 -0.000000 3.623379\nMn P Pd\n3 3 3\ndirect\n0.602890 0.000000 -0.000000 Mn\n-0.000000 0.602889 -0.000000 Mn\n0.397111 0.397111 -0.000000 Mn\n0.333333 0.666666 0.500000 P\n0.666667 0.333333 0.500000 P\n0.000000 0.000000 0.000000 P\n0.267289 0.000000 0.500000 Pd\n-0.000000 0.267288 0.500000 Pd\n0.732712 0.732711 0.500000 Pd\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Mn",
"P",
"Pd"
],
"chemical_system": "Mn-P-Pd",
"density": 7.500446712578567,
"density_atomic": 0.07045440884611988,
"volume": 127.74218317063709,
"volume_molar": 8.547571200480885,
"formula_full": "Mn3 P3 Pd3",
"formula_reduced": "MnPPd",
"formula_anonymous": "ABC",
"energy_above_hull": 2.533662813793104,
"spacegroup": 189
},
{
"id": "jvasp-110091",
"created_at": "2022-09-04T14:37:58.959170Z",
"updated_at": "2022-09-04T14:37:58.959191Z",
"structure_string": "K1 Co2 P2\n1.0\n3.522550 -0.033407 -6.085984\n-0.282864 3.511334 -6.085984\n0.031119 0.033407 7.031827\nK Co P\n1 2 2\ndirect\n0.000000 0.000000 0.000000 K\n0.750000 0.250000 0.500001 Co\n0.250001 0.749999 0.500001 Co\n0.342811 0.342810 0.000000 P\n0.657190 0.657189 0.000000 P\n",
"nsites": 5,
"nelements": 3,
"elements": [
"K",
"Co",
"P"
],
"chemical_system": "Co-K-P",
"density": 4.11426170979939,
"density_atomic": 0.05659040830963521,
"volume": 88.35419551388338,
"volume_molar": 10.641628042423324,
"formula_full": "K1 Co2 P2",
"formula_reduced": "K(CoP)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 2.3391361600000007,
"spacegroup": 139
},
{
"id": "jvasp-110092",
"created_at": "2022-09-04T14:38:01.707476Z",
"updated_at": "2022-09-04T14:38:01.707505Z",
"structure_string": "Ce1 In1 Ni4\n1.0\n4.340591 0.000000 2.506042\n1.446864 4.092349 2.506042\n0.000000 0.000000 5.012083\nCe In Ni\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Ce\n0.250000 0.250000 0.250000 In\n0.623900 0.623901 0.623900 Ni\n0.623900 0.623901 0.128298 Ni\n0.623900 0.128298 0.623900 Ni\n0.128297 0.623901 0.623900 Ni\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ce",
"In",
"Ni"
],
"chemical_system": "Ce-In-Ni",
"density": 9.133687697165021,
"density_atomic": 0.0673924843999354,
"volume": 89.03069909685287,
"volume_molar": 8.935923365374215,
"formula_full": "Ce1 In1 Ni4",
"formula_reduced": "CeInNi4",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.0098441783333332,
"spacegroup": 216
},
{
"id": "jvasp-110093",
"created_at": "2022-09-04T14:38:17.354890Z",
"updated_at": "2022-09-04T14:38:17.354917Z",
"structure_string": "Tb2 Cu2 Sn2\n1.0\n4.532513 0.000000 0.000000\n-2.266257 3.925271 0.000000\n-0.000000 -0.000000 7.302506\nTb Cu Sn\n2 2 2\ndirect\n0.000000 0.000000 0.036022 Tb\n0.000000 0.000000 0.536022 Tb\n0.666666 0.333333 0.713730 Cu\n0.333333 0.666667 0.213730 Cu\n0.666666 0.333333 0.305249 Sn\n0.333333 0.666667 0.805249 Sn\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Tb",
"Cu",
"Sn"
],
"chemical_system": "Cu-Sn-Tb",
"density": 8.721350685553546,
"density_atomic": 0.046181775290949655,
"volume": 129.92138050560897,
"volume_molar": 13.040080685638285,
"formula_full": "Tb2 Cu2 Sn2",
"formula_reduced": "TbCuSn",
"formula_anonymous": "ABC",
"energy_above_hull": 0.2086868500000001,
"spacegroup": 186
},
{
"id": "jvasp-110095",
"created_at": "2022-09-04T14:38:18.284073Z",
"updated_at": "2022-09-04T14:38:18.284093Z",
"structure_string": "Sr2 As2 Au2\n1.0\n4.534924 0.000000 0.000000\n-2.267462 3.927360 0.000000\n-0.000000 -0.000000 8.455888\nSr As Au\n2 2 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.000000 0.000000 0.500000 Sr\n0.333333 0.666667 0.250000 As\n0.666666 0.333333 0.750000 As\n0.333333 0.666667 0.750000 Au\n0.666666 0.333333 0.250000 Au\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Sr",
"As",
"Au"
],
"chemical_system": "As-Au-Sr",
"density": 7.927895346917478,
"density_atomic": 0.03984018098307942,
"volume": 150.60172549287034,
"volume_molar": 15.11574649361576,
"formula_full": "Sr2 As2 Au2",
"formula_reduced": "SrAsAu",
"formula_anonymous": "ABC",
"energy_above_hull": 0.3105385433333334,
"spacegroup": 194
},
{
"id": "jvasp-110096",
"created_at": "2022-09-04T14:38:18.917310Z",
"updated_at": "2022-09-04T14:38:18.917343Z",
"structure_string": "Sr2 Cl2 O2\n1.0\n4.226384 0.000000 0.000000\n-2.113193 3.660156 0.000000\n-0.000000 -0.000000 9.499672\nSr Cl O\n2 2 2\ndirect\n0.666666 0.333334 0.437295 Sr\n0.333334 0.666667 0.937295 Sr\n0.666666 0.333334 0.747320 Cl\n0.333334 0.666667 0.247320 Cl\n0.000000 0.000000 0.988195 O\n0.000000 0.000000 0.488196 O\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Sr",
"Cl",
"O"
],
"chemical_system": "Cl-O-Sr",
"density": 3.1429891562499868,
"density_atomic": 0.04082950271793397,
"volume": 146.95256127536808,
"volume_molar": 14.749483484046527,
"formula_full": "Sr2 Cl2 O2",
"formula_reduced": "SrClO",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0,
"spacegroup": 186
},
{
"id": "jvasp-110097",
"created_at": "2022-09-04T14:38:20.193225Z",
"updated_at": "2022-09-04T14:38:20.193245Z",
"structure_string": "Rb2 Fe1 F4\n1.0\n4.060243 0.076815 -6.299346\n-0.287576 4.050774 -6.299346\n-0.070210 -0.076815 7.494158\nRb Fe F\n2 1 4\ndirect\n0.353294 0.353294 -0.000002 Rb\n0.646704 0.646704 -0.000003 Rb\n0.000000 0.000000 0.000000 Fe\n0.150757 0.150757 -0.000001 F\n0.849241 0.849241 -0.000004 F\n0.500000 -0.000000 0.500000 F\n-0.000001 0.500000 0.499999 F\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Rb",
"Fe",
"F"
],
"chemical_system": "F-Fe-Rb",
"density": 4.205103532763068,
"density_atomic": 0.05854728383723391,
"volume": 119.56148161305919,
"volume_molar": 10.285943882114204,
"formula_full": "Rb2 Fe1 F4",
"formula_reduced": "Rb2FeF4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 0.0632245476190475,
"spacegroup": 139
}
]
}