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=created_at&page=3876",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=created_at&page=3874",
"results": [
{
"id": "jvasp-20946",
"created_at": "2022-09-04T14:38:30.487477Z",
"updated_at": "2022-09-04T14:38:30.487485Z",
"structure_string": "Pr8 P8 S32\n1.0\n9.829383 -0.000000 -4.822141\n-2.365667 9.540460 -4.822141\n0.016312 0.020852 12.462358\nPr P S\n8 8 32\ndirect\n0.125000 0.375000 0.250000 Pr\n0.874999 0.625000 0.750000 Pr\n0.624999 0.875000 0.250000 Pr\n0.374999 0.625000 0.750000 Pr\n0.625000 0.375000 0.250000 Pr\n0.125000 0.875000 0.250000 Pr\n0.874999 0.125000 0.750000 Pr\n0.375000 0.125000 0.750000 Pr\n0.287292 0.250000 0.500000 P\n0.787292 0.250000 0.500000 P\n0.750000 0.787292 -0.000000 P\n0.250000 0.712708 -0.000000 P\n0.712707 0.750000 0.500000 P\n0.212707 0.750000 0.500000 P\n0.250000 0.212708 -0.000000 P\n0.750000 0.287292 -0.000000 P\n0.905740 0.886895 0.996046 S\n0.334351 0.906153 0.172643 S\n0.094259 0.113105 0.003954 S\n0.390848 0.094259 0.503954 S\n0.113105 0.909695 0.503954 S\n0.109151 0.590305 0.496046 S\n0.405741 0.109151 0.996046 S\n0.733509 0.661707 0.327356 S\n0.386894 0.405741 0.496046 S\n0.909695 0.390849 0.003954 S\n0.590304 0.386895 0.996046 S\n0.593847 0.165649 0.327356 S\n0.661707 0.593847 0.827356 S\n0.165648 0.733509 0.827356 S\n0.609151 0.905741 0.496046 S\n0.886894 0.090305 0.496046 S\n0.409695 0.613105 0.003954 S\n0.594258 0.890849 0.003954 S\n0.890848 0.409695 0.503954 S\n0.613105 0.594259 0.503954 S\n0.161707 0.233509 0.827356 S\n0.090304 0.609151 0.996046 S\n0.093847 0.161707 0.327357 S\n0.834351 0.266491 0.172643 S\n0.338292 0.406153 0.172643 S\n0.406152 0.834351 0.672643 S\n0.266490 0.338292 0.672643 S\n0.838292 0.766491 0.172643 S\n0.906152 0.838292 0.672643 S\n0.766490 0.334351 0.672643 S\n0.233509 0.665649 0.327356 S\n0.665649 0.093847 0.827356 S\n",
"nsites": 48,
"nelements": 3,
"elements": [
"Pr",
"P",
"S"
],
"chemical_system": "P-Pr-S",
"density": 3.40592655797048,
"density_atomic": 0.041002610777499816,
"volume": 1170.6571627955946,
"volume_molar": 14.687212950119386,
"formula_full": "Pr8 P8 S32",
"formula_reduced": "PrPS4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.072474225,
"spacegroup": 142
},
{
"id": "jvasp-55158",
"created_at": "2022-09-04T14:38:30.492931Z",
"updated_at": "2022-09-04T14:38:30.492950Z",
"structure_string": "Zr3 Cu1\n1.0\n4.307997 0.000000 0.000000\n0.000000 4.307997 0.000000\n-0.000000 0.000000 4.309166\nZr Cu\n3 1\ndirect\n0.000000 0.500000 0.500000 Zr\n0.500000 0.000000 0.500000 Zr\n0.500000 0.500000 0.000000 Zr\n0.000000 0.000000 0.000000 Cu\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Zr",
"Cu"
],
"chemical_system": "Cu-Zr",
"density": 7.001898918317061,
"density_atomic": 0.05001680917147827,
"volume": 79.97311436414003,
"volume_molar": 12.04023379291073,
"formula_full": "Zr3 Cu1",
"formula_reduced": "Zr3Cu",
"formula_anonymous": "AB3",
"energy_above_hull": 3.1267434875,
"spacegroup": 221
},
{
"id": "jvasp-53457",
"created_at": "2022-09-04T14:38:30.493022Z",
"updated_at": "2022-09-04T14:38:30.493039Z",
"structure_string": "Pr4 Pb2 Se8\n1.0\n7.415178 -0.002867 -2.619906\n-3.710073 6.420299 -2.619906\n0.001656 0.002867 7.864400\nPr Pb Se\n4 2 8\ndirect\n0.117052 0.750000 0.867051 Pr\n0.250001 0.617051 0.367051 Pr\n0.382950 0.250000 0.632949 Pr\n0.750001 0.882949 0.132948 Pr\n0.625000 0.375000 0.250000 Pb\n0.875001 0.125000 0.750000 Pb\n0.007168 0.855085 0.498563 Se\n0.008605 0.356521 0.501437 Se\n0.491396 0.992832 0.347916 Se\n0.144916 0.143479 0.152083 Se\n0.355085 0.507168 0.998563 Se\n0.643480 0.644916 0.652083 Se\n0.492834 0.991396 0.847916 Se\n0.856521 0.508604 0.001436 Se\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Pr",
"Pb",
"Se"
],
"chemical_system": "Pb-Pr-Se",
"density": 7.138751254192067,
"density_atomic": 0.037389820807242555,
"volume": 374.43346070511643,
"volume_molar": 16.106364325858145,
"formula_full": "Pr4 Pb2 Se8",
"formula_reduced": "Pr2PbSe4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.2747377123809525,
"spacegroup": 122
},
{
"id": "jvasp-54747",
"created_at": "2022-09-04T14:38:30.496548Z",
"updated_at": "2022-09-04T14:38:30.496576Z",
"structure_string": "Ba2 H8 O12\n1.0\n5.314198 2.437102 -1.350652\n-5.314198 2.437102 1.350652\n-1.253091 0.000000 9.521677\nBa H O\n2 8 12\ndirect\n0.878386 0.878386 0.750000 Ba\n0.121613 0.121613 0.250000 Ba\n0.195277 0.569930 0.680002 H\n0.569930 0.195277 0.819998 H\n0.804722 0.430069 0.319998 H\n0.430069 0.804722 0.180002 H\n0.740907 0.390201 0.480246 H\n0.390202 0.740907 0.019754 H\n0.259092 0.609797 0.519754 H\n0.609798 0.259092 -0.019754 H\n0.498902 0.245453 0.875408 O\n0.245453 0.498902 0.624593 O\n-0.164967 0.426143 0.141927 O\n0.426143 -0.164967 0.358074 O\n0.164967 0.573856 0.858074 O\n0.283569 0.038532 0.575315 O\n-0.038533 0.716431 0.075314 O\n0.716431 -0.038533 0.424686 O\n0.038532 0.283569 0.924686 O\n0.754546 0.501097 0.375408 O\n0.573856 0.164967 0.641927 O\n0.501097 0.754546 0.124593 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Ba",
"H",
"O"
],
"chemical_system": "Ba-H-O",
"density": 3.3067231262450787,
"density_atomic": 0.09228747055772665,
"volume": 238.385556208725,
"volume_molar": 6.525415339271973,
"formula_full": "Ba2 H8 O12",
"formula_reduced": "Ba(H2O3)2",
"formula_anonymous": "AB4C6",
"energy_above_hull": 2.596869724545454,
"spacegroup": 15
},
{
"id": "jvasp-59036",
"created_at": "2022-09-04T14:38:30.496632Z",
"updated_at": "2022-09-04T14:38:30.496653Z",
"structure_string": "Ti2 Nb6 O12\n1.0\n6.419275 0.001303 1.921890\n1.431140 6.257710 1.921890\n0.001634 0.001303 6.700803\nTi Nb O\n2 6 12\ndirect\n0.726333 0.726332 0.726333 Ti\n0.273667 0.273667 0.273667 Ti\n0.296387 0.881390 0.055925 Nb\n0.881391 0.055925 0.296387 Nb\n0.703613 0.118609 0.944074 Nb\n0.944075 0.703613 0.118609 Nb\n0.118609 0.944074 0.703613 Nb\n0.055925 0.296387 0.881390 Nb\n0.798254 0.033781 0.647859 O\n0.966219 0.352141 0.201746 O\n0.569676 0.171119 0.260580 O\n0.647859 0.798254 0.033782 O\n0.033781 0.647858 0.798254 O\n0.739420 0.430323 0.828880 O\n0.828881 0.739420 0.430324 O\n0.430324 0.828880 0.739420 O\n0.260580 0.569676 0.171119 O\n0.171119 0.260579 0.569676 O\n0.201746 0.966218 0.352141 O\n0.352141 0.201745 0.966218 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Ti",
"Nb",
"O"
],
"chemical_system": "Nb-O-Ti",
"density": 5.214760887697021,
"density_atomic": 0.07431453298166689,
"volume": 269.1263632772061,
"volume_molar": 8.103584209411151,
"formula_full": "Ti2 Nb6 O12",
"formula_reduced": "TiNb3O6",
"formula_anonymous": "AB3C6",
"energy_above_hull": 3.899168753333333,
"spacegroup": 148
},
{
"id": "jvasp-118014",
"created_at": "2022-09-04T14:38:30.497491Z",
"updated_at": "2022-09-04T14:38:30.497516Z",
"structure_string": "Cd1 Sn1 Te1\n1.0\n3.128627 -0.000000 -0.000000\n0.000000 3.128627 0.000000\n0.000000 0.000000 9.220585\nCd Sn Te\n1 1 1\ndirect\n0.000000 0.000000 0.372924 Cd\n0.000000 0.000000 0.700208 Sn\n0.000000 0.000000 0.038550 Te\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Cd",
"Sn",
"Te"
],
"chemical_system": "Cd-Sn-Te",
"density": 6.599937842762823,
"density_atomic": 0.0332395550108054,
"volume": 90.25391582482888,
"volume_molar": 18.117392841277034,
"formula_full": "Cd1 Sn1 Te1",
"formula_reduced": "CdSnTe",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0,
"spacegroup": 99
},
{
"id": "jvasp-36044",
"created_at": "2022-09-04T14:38:30.499606Z",
"updated_at": "2022-09-04T14:38:30.499632Z",
"structure_string": "Sm1 B12\n1.0\n4.622331 -0.000000 2.668704\n1.540777 4.357976 2.668704\n-0.000000 -0.000000 5.337408\nSm B\n1 12\ndirect\n0.000000 0.000000 0.000000 Sm\n0.162535 0.500000 0.499999 B\n0.837465 0.500000 0.499999 B\n0.500000 0.500000 0.837464 B\n0.837465 0.162535 0.499999 B\n0.500000 0.837466 0.162533 B\n0.500000 0.162535 0.837465 B\n0.500000 0.837466 0.499999 B\n0.837465 0.500000 0.162534 B\n0.162535 0.837466 0.499999 B\n0.500000 0.162535 0.500000 B\n0.162535 0.500000 0.837465 B\n0.500000 0.500000 0.162534 B\n",
"nsites": 13,
"nelements": 2,
"elements": [
"Sm",
"B"
],
"chemical_system": "B-Sm",
"density": 4.325870598699507,
"density_atomic": 0.1209113511385243,
"volume": 107.5167871137782,
"volume_molar": 4.980624815862511,
"formula_full": "Sm1 B12",
"formula_reduced": "SmB12",
"formula_anonymous": "AB12",
"energy_above_hull": 5.202884605769231,
"spacegroup": 225
},
{
"id": "jvasp-38642",
"created_at": "2022-09-04T14:38:30.502770Z",
"updated_at": "2022-09-04T14:38:30.502797Z",
"structure_string": "Mg1 Pb3\n1.0\n1.768819 -3.063685 -0.000000\n1.768819 3.063685 -0.000000\n0.000000 -0.000000 10.802908\nMg Pb\n1 3\ndirect\n0.333333 0.666668 0.500000 Mg\n0.000000 0.000000 0.728874 Pb\n0.333333 0.666668 0.000000 Pb\n0.000000 0.000000 0.271126 Pb\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Mg",
"Pb"
],
"chemical_system": "Mg-Pb",
"density": 9.160508158380289,
"density_atomic": 0.03416345721550917,
"volume": 117.08416905137229,
"volume_molar": 17.62743366987499,
"formula_full": "Mg1 Pb3",
"formula_reduced": "MgPb3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.1978405739999999,
"spacegroup": 187
},
{
"id": "jvasp-17293",
"created_at": "2022-09-04T14:38:30.512023Z",
"updated_at": "2022-09-04T14:38:30.512054Z",
"structure_string": "Mg4 Si2 Pt2\n1.0\n2.157104 -3.736214 -0.000000\n2.157104 3.736214 -0.000000\n0.000000 0.000000 8.520476\nMg Si Pt\n4 2 2\ndirect\n0.333332 0.666666 0.416706 Mg\n0.666666 0.333332 0.916707 Mg\n0.666666 0.333332 0.583294 Mg\n0.333332 0.666666 0.083294 Mg\n0.000000 0.000000 0.250000 Si\n0.000000 0.000000 0.750000 Si\n0.666666 0.333332 0.250000 Pt\n0.333332 0.666666 0.750000 Pt\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Mg",
"Si",
"Pt"
],
"chemical_system": "Mg-Pt-Si",
"density": 6.572023499782949,
"density_atomic": 0.05824964812636412,
"volume": 137.3398854297826,
"volume_molar": 10.338501525255301,
"formula_full": "Mg4 Si2 Pt2",
"formula_reduced": "Mg2SiPt",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.8594995249999999,
"spacegroup": 194
},
{
"id": "jvasp-119323",
"created_at": "2022-09-04T14:38:30.512663Z",
"updated_at": "2022-09-04T14:38:30.512690Z",
"structure_string": "Li4 V4 F14\n1.0\n4.943972 0.017695 0.611090\n0.558041 4.912409 0.611090\n-0.129658 -0.116181 10.083482\nLi V F\n4 4 14\ndirect\n0.261106 0.661407 0.488008 Li\n0.338593 0.738894 0.011992 Li\n0.661406 0.261105 0.988008 Li\n0.738894 0.338593 0.511992 Li\n0.723685 0.751665 0.245627 V\n0.248334 0.276315 0.254373 V\n0.751665 0.723685 0.745627 V\n0.276315 0.248334 0.754373 V\n0.437683 0.494269 0.871088 F\n0.594517 0.054620 0.627840 F\n0.931276 0.068723 0.250000 F\n0.054620 0.594518 0.127840 F\n0.020549 0.472639 0.624339 F\n-0.020550 0.527362 0.375660 F\n0.562317 0.505730 0.128912 F\n0.068724 0.931276 0.750000 F\n0.405482 0.945380 0.372160 F\n0.527361 -0.020550 0.875660 F\n0.472638 0.020549 0.124340 F\n0.494269 0.437683 0.371088 F\n0.945379 0.405482 0.872160 F\n0.505730 0.562317 0.628912 F\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Li",
"V",
"F"
],
"chemical_system": "F-Li-V",
"density": 3.3651599737909597,
"density_atomic": 0.08961475863536086,
"volume": 245.495277061641,
"volume_molar": 6.720032338092732,
"formula_full": "Li4 V4 F14",
"formula_reduced": "Li2V2F7",
"formula_anonymous": "A2B2C7",
"energy_above_hull": 0.7334300343181819,
"spacegroup": 15
},
{
"id": "jvasp-19186",
"created_at": "2022-09-04T14:38:30.515153Z",
"updated_at": "2022-09-04T14:38:30.515181Z",
"structure_string": "Ta4 V2 Zn4 O16\n1.0\n5.296652 -0.000060 -0.015882\n-0.000132 5.921420 -0.001893\n-0.045811 -2.957251 9.543388\nTa V Zn O\n4 2 4 16\ndirect\n0.736049 0.732559 0.773620 Ta\n0.761935 0.959600 0.227760 Ta\n0.261944 0.270657 0.227767 Ta\n0.236057 0.043658 0.773632 Ta\n0.748965 0.361742 0.000691 V\n0.248971 0.641510 0.000693 V\n0.268601 0.872790 0.434985 Zn\n0.229406 0.438572 0.566457 Zn\n0.768616 0.564665 0.434944 Zn\n0.729416 0.130415 0.566411 Zn\n0.431159 0.723996 0.648026 O\n0.860271 0.456372 0.614898 O\n0.637717 0.842136 0.386494 O\n0.137745 0.546831 0.386511 O\n0.360296 0.161096 0.614893 O\n0.066848 0.076560 0.353349 O\n0.086757 0.322548 0.886793 O\n0.923406 0.187768 0.135045 O\n0.911174 0.680697 0.114575 O\n0.586756 0.566838 0.886802 O\n0.574586 0.053428 0.866343 O\n0.931183 0.926619 0.648017 O\n0.423406 0.949810 0.135035 O\n0.074570 0.815513 0.866354 O\n0.411162 0.436411 0.114578 O\n0.566859 0.279249 0.353357 O\n",
"nsites": 26,
"nelements": 4,
"elements": [
"Ta",
"V",
"Zn",
"O"
],
"chemical_system": "O-Ta-V-Zn",
"density": 7.453183397583031,
"density_atomic": 0.08687458564326207,
"volume": 299.282002987217,
"volume_molar": 6.931993649706776,
"formula_full": "Ta4 V2 Zn4 O16",
"formula_reduced": "Ta2VZn2O8",
"formula_anonymous": "AB2C2D8",
"energy_above_hull": 3.0185316461538463,
"spacegroup": 15
},
{
"id": "jvasp-37459",
"created_at": "2022-09-04T14:38:30.516482Z",
"updated_at": "2022-09-04T14:38:30.516502Z",
"structure_string": "Dy1 Y1 Rh2\n1.0\n0.000000 3.417843 3.417843\n3.417843 -0.000000 3.417843\n3.417843 3.417843 0.000000\nDy Y Rh\n1 1 2\ndirect\n0.250000 0.250000 0.250000 Dy\n0.749999 0.749999 0.749999 Y\n0.500000 0.500000 0.500000 Rh\n0.000000 0.000000 0.000000 Rh\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Dy",
"Y",
"Rh"
],
"chemical_system": "Dy-Rh-Y",
"density": 9.507908661716113,
"density_atomic": 0.05009261081595289,
"volume": 79.85209664348595,
"volume_molar": 12.0220141492049,
"formula_full": "Dy1 Y1 Rh2",
"formula_reduced": "DyYRh2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.2912244875,
"spacegroup": 225
}
]
}