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=nelements&page=3824",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=nelements&page=3822",
"results": [
{
"id": "jvasp-57164",
"created_at": "2022-09-04T14:37:34.287667Z",
"updated_at": "2022-09-04T14:37:34.287685Z",
"structure_string": "Ba3 P2 S8\n1.0\n6.660362 -0.013545 -0.000192\n-3.318462 5.774810 0.000192\n-0.000198 0.000116 8.730165\nBa P S\n3 2 8\ndirect\n0.333316 0.666684 0.369250 Ba\n0.666684 0.333316 0.630750 Ba\n0.000000 0.000000 0.000000 Ba\n0.666652 0.333347 0.216928 P\n0.333348 0.666653 0.783071 P\n0.831200 0.662443 0.308249 S\n0.168799 0.337556 0.691751 S\n0.662444 0.831201 0.691751 S\n0.333357 0.666642 0.014843 S\n0.666642 0.333358 0.985157 S\n0.337556 0.168799 0.308249 S\n0.831204 0.168795 0.308251 S\n0.168796 0.831205 0.691749 S\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Ba",
"P",
"S"
],
"chemical_system": "Ba-P-S",
"density": 3.6165007356410017,
"density_atomic": 0.03876084147588758,
"volume": 335.39003553591755,
"volume_molar": 15.536661565374597,
"formula_full": "Ba3 P2 S8",
"formula_reduced": "Ba3(PS4)2",
"formula_anonymous": "A2B3C8",
"energy_above_hull": 1.8196022238461544,
"spacegroup": 164
},
{
"id": "jvasp-41862",
"created_at": "2022-09-04T14:37:34.296488Z",
"updated_at": "2022-09-04T14:37:34.296507Z",
"structure_string": "Li1 As1 Rh2\n1.0\n0.000000 2.969227 2.969227\n2.969227 0.000000 2.969227\n2.969227 2.969227 -0.000000\nLi As Rh\n1 1 2\ndirect\n0.750000 0.750000 0.750000 Li\n0.249999 0.249999 0.249999 As\n0.000000 0.000000 0.000000 Rh\n0.500001 0.500001 0.500001 Rh\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"As",
"Rh"
],
"chemical_system": "As-Li-Rh",
"density": 9.124076267335932,
"density_atomic": 0.07640113184645474,
"volume": 52.35524531284301,
"volume_molar": 7.882266419956771,
"formula_full": "Li1 As1 Rh2",
"formula_reduced": "LiAsRh2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.0716169375,
"spacegroup": 225
},
{
"id": "jvasp-35169",
"created_at": "2022-09-04T14:37:34.390933Z",
"updated_at": "2022-09-04T14:37:34.390963Z",
"structure_string": "Li8 P1 O3\n1.0\n4.973350 -0.000000 0.000000\n0.000000 4.973350 0.000000\n0.000000 0.000000 4.973350\nLi P O\n8 1 3\ndirect\n0.266892 0.266892 0.266892 Li\n0.733108 0.733108 0.266892 Li\n0.733108 0.266892 0.733108 Li\n0.266892 0.733108 0.733108 Li\n0.266892 0.266892 0.733108 Li\n0.733108 0.733108 0.733108 Li\n0.733108 0.266892 0.266892 Li\n0.266892 0.733108 0.266892 Li\n0.000000 0.000000 0.000000 P\n0.000000 0.500000 0.500000 O\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Li",
"P",
"O"
],
"chemical_system": "Li-O-P",
"density": 1.8156167790478257,
"density_atomic": 0.0975515500599682,
"volume": 123.01188441007037,
"volume_molar": 6.173290692252444,
"formula_full": "Li8 P1 O3",
"formula_reduced": "Li8PO3",
"formula_anonymous": "AB3C8",
"energy_above_hull": 1.4821805,
"spacegroup": 221
},
{
"id": "jvasp-24023",
"created_at": "2022-09-04T14:37:34.297274Z",
"updated_at": "2022-09-04T14:37:34.297306Z",
"structure_string": "K2 B12 H12\n1.0\n6.407801 -0.000000 3.699546\n2.135934 6.041333 3.699546\n-0.000000 -0.000000 7.399091\nK B H\n2 12 12\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.750001 K\n0.222298 0.777701 0.946594 B\n0.053406 0.777701 0.222299 B\n0.222298 0.946593 0.053408 B\n0.053407 0.222298 0.946593 B\n0.946593 0.053407 0.222299 B\n0.777701 0.222298 0.053407 B\n0.946593 0.777701 0.053408 B\n0.777701 0.946593 0.222300 B\n0.053406 0.946593 0.777702 B\n0.222299 0.053407 0.777702 B\n0.946593 0.222298 0.777702 B\n0.777701 0.053407 0.946594 B\n0.095057 0.620404 0.379597 H\n0.379596 0.904942 0.095058 H\n0.095057 0.379596 0.904943 H\n0.904943 0.095057 0.379597 H\n0.620404 0.379596 0.095058 H\n0.904943 0.620404 0.095058 H\n0.620404 0.904942 0.379597 H\n0.095057 0.904942 0.620405 H\n0.379596 0.095057 0.620404 H\n0.620404 0.095057 0.904943 H\n0.379596 0.620404 0.904944 H\n0.904943 0.379596 0.620405 H\n",
"nsites": 26,
"nelements": 3,
"elements": [
"K",
"B",
"H"
],
"chemical_system": "B-H-K",
"density": 1.275553729966429,
"density_atomic": 0.09077226840006716,
"volume": 286.43109242801256,
"volume_molar": 6.6343398332387,
"formula_full": "K2 B12 H12",
"formula_reduced": "K(BH)6",
"formula_anonymous": "AB6C6",
"energy_above_hull": 3.880834115384616,
"spacegroup": 202
},
{
"id": "jvasp-22031",
"created_at": "2022-09-04T14:37:34.311618Z",
"updated_at": "2022-09-04T14:37:34.311637Z",
"structure_string": "Tl6 Te1 O12\n1.0\n6.455608 0.008599 -0.892507\n-1.025548 6.373633 -0.892506\n0.007315 0.008598 6.517008\nTl Te O\n6 1 12\ndirect\n0.135625 0.304170 0.606667 Tl\n0.304170 0.606666 0.135624 Tl\n0.864376 0.695830 0.393333 Tl\n0.393334 0.864375 0.695829 Tl\n0.695831 0.393334 0.864375 Tl\n0.606667 0.135625 0.304170 Tl\n0.000000 0.000000 0.000000 Te\n0.928403 0.704099 0.033116 O\n0.704100 0.033117 0.928403 O\n0.422598 0.174842 0.600513 O\n0.295901 0.966883 0.071596 O\n0.033117 0.928403 0.704098 O\n0.399487 0.577402 0.825158 O\n0.825159 0.399487 0.577402 O\n0.577402 0.825159 0.399486 O\n0.600514 0.422598 0.174841 O\n0.174842 0.600513 0.422598 O\n0.071598 0.295902 0.966884 O\n0.966884 0.071597 0.295901 O\n",
"nsites": 19,
"nelements": 3,
"elements": [
"Tl",
"Te",
"O"
],
"chemical_system": "O-Te-Tl",
"density": 9.567592427578102,
"density_atomic": 0.07081542266964981,
"volume": 268.30313629043764,
"volume_molar": 8.503996068897262,
"formula_full": "Tl6 Te1 O12",
"formula_reduced": "Tl6TeO12",
"formula_anonymous": "AB6C12",
"energy_above_hull": 1.6789808087719296,
"spacegroup": 148
},
{
"id": "jvasp-10202",
"created_at": "2022-09-04T14:37:34.317273Z",
"updated_at": "2022-09-04T14:37:34.317299Z",
"structure_string": "Y2 As2 O8\n1.0\n5.693153 -0.032074 -1.725011\n-3.141383 4.748130 -1.725011\n0.017355 0.032074 5.948728\nY As O\n2 2 8\ndirect\n0.374999 0.625000 0.750000 Y\n0.625000 0.375000 0.250000 Y\n0.874999 0.125000 0.750000 As\n0.125000 0.875000 0.250000 As\n0.301695 0.234042 0.432347 O\n0.869347 0.301696 0.567653 O\n0.234041 0.301695 0.932347 O\n0.301696 0.869348 0.067653 O\n0.130652 0.698304 0.432347 O\n0.698304 0.765957 0.567653 O\n0.698303 0.130652 0.932347 O\n0.765957 0.698305 0.067653 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Y",
"As",
"O"
],
"chemical_system": "As-O-Y",
"density": 4.7042798691561645,
"density_atomic": 0.07460944849466639,
"volume": 160.83753790054948,
"volume_molar": 8.071552439407865,
"formula_full": "Y2 As2 O8",
"formula_reduced": "YAsO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.3266585333333336,
"spacegroup": 141
},
{
"id": "jvasp-36809",
"created_at": "2022-09-04T14:37:34.324519Z",
"updated_at": "2022-09-04T14:37:34.324532Z",
"structure_string": "Pb1 Au1 O2\n1.0\n-3.572749 -0.000000 1.058623\n-1.943212 3.179488 -0.000000\n-3.580441 -0.004701 -5.525488\nPb Au O\n1 1 2\ndirect\n0.499999 0.500001 0.500000 Pb\n0.000000 0.000000 0.000000 Au\n0.106273 0.106274 0.681181 O\n0.893726 0.893728 0.318820 O\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Pb",
"Au",
"O"
],
"chemical_system": "Au-O-Pb",
"density": 9.679144993037086,
"density_atomic": 0.05345603089791574,
"volume": 74.82785258858343,
"volume_molar": 11.265596526424495,
"formula_full": "Pb1 Au1 O2",
"formula_reduced": "PbAuO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.1970538475,
"spacegroup": 166
},
{
"id": "jvasp-59636",
"created_at": "2022-09-04T14:37:34.325920Z",
"updated_at": "2022-09-04T14:37:34.325944Z",
"structure_string": "Yb4 Mn2 S8\n1.0\n6.624928 -0.000000 3.824904\n2.208310 6.246042 3.824904\n-0.000000 -0.000000 7.649808\nYb Mn S\n4 2 8\ndirect\n0.500000 0.500000 -0.000001 Yb\n0.500000 0.500000 0.500000 Yb\n0.000000 0.500000 0.500000 Yb\n0.500000 0.000000 0.500000 Yb\n0.875000 0.875000 0.874999 Mn\n0.125000 0.125000 0.125000 Mn\n0.756727 0.756726 0.756726 S\n0.243274 0.243274 0.770179 S\n0.243274 0.770179 0.243273 S\n0.770180 0.243274 0.243273 S\n0.756726 0.229820 0.756726 S\n0.229821 0.756726 0.756726 S\n0.243274 0.243274 0.243274 S\n0.756727 0.756726 0.229820 S\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Yb",
"Mn",
"S"
],
"chemical_system": "Mn-S-Yb",
"density": 5.552983391251003,
"density_atomic": 0.044227402899601656,
"volume": 316.5458309134877,
"volume_molar": 13.616311076801301,
"formula_full": "Yb4 Mn2 S8",
"formula_reduced": "Yb2MnS4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.4761512344827583,
"spacegroup": 227
},
{
"id": "jvasp-35374",
"created_at": "2022-09-04T14:37:34.343565Z",
"updated_at": "2022-09-04T14:37:34.343596Z",
"structure_string": "K2 Np1 O4\n1.0\n4.305550 -0.000000 -0.000000\n-0.000000 4.305550 -0.000000\n-2.152774 -2.152774 6.632267\nK Np O\n2 1 4\ndirect\n0.348193 0.348193 0.696385 K\n0.651808 0.651808 0.303616 K\n0.000000 0.000000 0.000000 Np\n0.146341 0.146341 0.292681 O\n0.853661 0.853661 0.707320 O\n0.000000 0.500000 0.000000 O\n0.500000 0.000000 0.000000 O\n",
"nsites": 7,
"nelements": 3,
"elements": [
"K",
"Np",
"O"
],
"chemical_system": "K-Np-O",
"density": 5.1214331440064536,
"density_atomic": 0.05693492650403457,
"volume": 122.94737922431428,
"volume_molar": 10.577234625170288,
"formula_full": "K2 Np1 O4",
"formula_reduced": "K2NpO4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.0328114285714283,
"spacegroup": 139
},
{
"id": "jvasp-42024",
"created_at": "2022-09-04T14:37:34.355309Z",
"updated_at": "2022-09-04T14:37:34.355340Z",
"structure_string": "Pr4 B4 S12\n1.0\n6.024419 0.000000 0.000000\n0.000000 7.619293 0.000000\n0.000000 0.000000 8.982753\nPr B S\n4 4 12\ndirect\n0.928965 0.113554 0.433287 Pr\n0.071035 0.886446 0.933287 Pr\n0.428965 0.386446 0.933287 Pr\n0.571035 0.613553 0.433287 Pr\n0.403972 0.145943 0.604637 B\n0.596028 0.854057 0.104637 B\n0.903972 0.354057 0.104637 B\n0.096028 0.645942 0.604637 B\n0.595066 0.999147 0.945496 S\n0.404934 0.000852 0.445496 S\n0.635010 0.296200 0.636410 S\n0.364990 0.703800 0.136410 S\n0.135010 0.203800 0.136410 S\n0.836223 0.826013 0.225989 S\n0.336223 0.673986 0.725988 S\n0.663777 0.326014 0.225989 S\n0.904934 0.499147 0.945496 S\n0.163777 0.173986 0.725988 S\n0.864990 0.796200 0.636410 S\n0.095066 0.500852 0.445496 S\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Pr",
"B",
"S"
],
"chemical_system": "B-Pr-S",
"density": 3.993652069155363,
"density_atomic": 0.04850546735774762,
"volume": 412.3246530641966,
"volume_molar": 12.415385497853785,
"formula_full": "Pr4 B4 S12",
"formula_reduced": "PrBS3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.2455684866666665,
"spacegroup": 33
},
{
"id": "jvasp-30259",
"created_at": "2022-09-04T14:37:34.381755Z",
"updated_at": "2022-09-04T14:37:34.381780Z",
"structure_string": "Mn2 O2 F2\n1.0\n3.799577 -0.000001 -0.000003\n-0.000003 5.911908 -0.000048\n-0.000003 -0.000021 2.762065\nMn O F\n2 2 2\ndirect\n0.250001 0.143174 0.750003 Mn\n0.750000 0.856824 0.249999 Mn\n0.250003 0.907984 0.249994 O\n0.750001 0.092017 0.750008 O\n0.250001 0.365847 0.250005 F\n0.750003 0.634155 0.749997 F\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Mn",
"O",
"F"
],
"chemical_system": "F-Mn-O",
"density": 4.814100099205208,
"density_atomic": 0.09670622678409052,
"volume": 62.043574643810636,
"volume_molar": 6.227252329309909,
"formula_full": "Mn2 O2 F2",
"formula_reduced": "MnOF",
"formula_anonymous": "ABC",
"energy_above_hull": 1.35494700795977,
"spacegroup": 59
},
{
"id": "jvasp-35288",
"created_at": "2022-09-04T14:37:34.393061Z",
"updated_at": "2022-09-04T14:37:34.393086Z",
"structure_string": "Er1 In1 Ni4\n1.0\n-3.508829 -3.508829 -0.000000\n-3.508829 -0.000000 -3.508829\n-0.000000 -3.508829 -3.508829\nEr In Ni\n1 1 4\ndirect\n0.750000 0.750000 0.750000 Er\n0.000000 0.000000 0.000000 In\n0.374310 0.374310 0.374310 Ni\n0.877070 0.374310 0.374310 Ni\n0.374310 0.877070 0.374310 Ni\n0.374310 0.374310 0.877070 Ni\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Er",
"In",
"Ni"
],
"chemical_system": "Er-In-Ni",
"density": 9.93339065194346,
"density_atomic": 0.0694439864255678,
"volume": 86.400569852524,
"volume_molar": 8.6719398899352,
"formula_full": "Er1 In1 Ni4",
"formula_reduced": "ErInNi4",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.8564015949999999,
"spacegroup": 216
}
]
}