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=energy_above_hull&page=3558",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=energy_above_hull&page=3556",
"results": [
{
"id": "jvasp-40799",
"created_at": "2022-09-04T14:37:49.599581Z",
"updated_at": "2022-09-04T14:37:49.599592Z",
"structure_string": "Hf1 Si1 Ni1\n1.0\n3.609455 0.000007 2.083933\n1.203157 3.403024 2.083933\n0.000011 0.000008 4.167847\nHf Si Ni\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Hf\n0.250000 0.250000 0.249999 Si\n0.500001 0.500000 0.500000 Ni\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Hf",
"Si",
"Ni"
],
"chemical_system": "Hf-Ni-Si",
"density": 8.60435504007644,
"density_atomic": 0.05860088071190684,
"volume": 51.19376984705358,
"volume_molar": 10.276536268466678,
"formula_full": "Hf1 Si1 Ni1",
"formula_reduced": "HfSiNi",
"formula_anonymous": "ABC",
"energy_above_hull": 2.7642146666666667,
"spacegroup": 216
},
{
"id": "jvasp-45861",
"created_at": "2022-09-04T14:38:02.014149Z",
"updated_at": "2022-09-04T14:38:02.014174Z",
"structure_string": "Li3 Fe1 Co3 O8\n1.0\n4.960520 1.464620 -2.423881\n1.603867 -5.432133 0.000000\n1.603867 -2.479292 -4.833341\nLi Fe Co O\n3 1 3 8\ndirect\n0.500000 0.000000 -0.000000 Li\n0.500000 0.000000 0.500000 Li\n0.500001 0.500000 0.499999 Li\n0.000000 0.000000 0.000000 Fe\n0.000000 0.000000 0.500000 Co\n0.000000 0.500000 -0.000000 Co\n0.000001 0.500000 0.499999 Co\n0.211722 0.234877 0.023155 O\n0.211722 0.234877 0.530247 O\n0.211722 0.741969 0.023155 O\n0.218376 0.739458 0.521082 O\n0.781625 0.260542 0.478917 O\n0.788279 0.258031 0.976844 O\n0.788279 0.765123 0.469752 O\n0.788280 0.765123 0.976843 O\n",
"nsites": 15,
"nelements": 4,
"elements": [
"Li",
"Fe",
"Co",
"O"
],
"chemical_system": "Co-Fe-Li-O",
"density": 4.868277758511024,
"density_atomic": 0.11528301744033362,
"volume": 130.11456789603434,
"volume_molar": 5.223788285309972,
"formula_full": "Li3 Fe1 Co3 O8",
"formula_reduced": "Li3FeCo3O8",
"formula_anonymous": "AB3C3D8",
"energy_above_hull": 2.764271746666666,
"spacegroup": 166
},
{
"id": "jvasp-105533",
"created_at": "2022-09-04T14:36:56.645690Z",
"updated_at": "2022-09-04T14:36:56.645719Z",
"structure_string": "Ce1 Pt4 Rh1\n1.0\n5.356711 -0.000000 0.000000\n-2.678355 4.639048 0.000000\n-0.000000 -0.000000 4.446150\nCe Pt Rh\n1 4 1\ndirect\n0.000000 0.000000 0.000000 Ce\n0.666666 0.333333 -0.000000 Pt\n0.499117 0.998236 0.500000 Pt\n0.001764 0.500882 0.500000 Pt\n0.499118 0.500882 0.500000 Pt\n0.333333 0.666667 -0.000000 Rh\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ce",
"Pt",
"Rh"
],
"chemical_system": "Ce-Pt-Rh",
"density": 15.380316807937197,
"density_atomic": 0.05430502993301951,
"volume": 110.48700290563275,
"volume_molar": 11.089471394137492,
"formula_full": "Ce1 Pt4 Rh1",
"formula_reduced": "CePt4Rh",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.764415683333333,
"spacegroup": 187
},
{
"id": "jvasp-79643",
"created_at": "2022-09-04T14:37:16.451337Z",
"updated_at": "2022-09-04T14:37:16.451349Z",
"structure_string": "Ta2 P2\n1.0\n3.347780 0.000000 0.000000\n0.000000 3.347780 0.000000\n-1.673889 -1.673889 5.724304\nTa P\n2 2\ndirect\n0.249507 0.749508 0.499016 Ta\n0.999507 0.999507 0.999016 Ta\n0.666492 0.166492 0.332983 P\n0.416492 0.416492 0.832983 P\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ta",
"P"
],
"chemical_system": "P-Ta",
"density": 10.970284552237304,
"density_atomic": 0.06234813693417601,
"volume": 64.15588655396385,
"volume_molar": 9.658894485264042,
"formula_full": "Ta2 P2",
"formula_reduced": "TaP",
"formula_anonymous": "AB",
"energy_above_hull": 2.76441735,
"spacegroup": 109
},
{
"id": "jvasp-116791",
"created_at": "2022-09-04T14:38:45.330398Z",
"updated_at": "2022-09-04T14:38:45.330422Z",
"structure_string": "Li2 Co2 P4 O14\n1.0\n6.119144 0.023011 0.443103\n0.679033 5.630615 2.433019\n0.050953 0.005644 6.621808\nLi Co P O\n2 2 4 14\ndirect\n0.016040 0.712858 0.822384 Li\n0.983958 0.287142 0.177616 Li\n0.637481 0.087084 0.788994 Co\n0.362517 0.912916 0.211007 Co\n0.595733 0.651661 0.654662 P\n0.874212 0.782268 0.235775 P\n0.125786 0.217732 0.764225 P\n0.404266 0.348339 0.345338 P\n0.613155 0.213430 0.474915 O\n0.042393 0.937973 0.252395 O\n0.787994 0.638988 0.477672 O\n0.212004 0.361012 0.522328 O\n0.037947 0.391260 0.862927 O\n0.962052 0.608740 0.137073 O\n0.319127 0.225521 0.211862 O\n0.680872 0.774479 0.788138 O\n0.386844 0.786570 0.525086 O\n0.333529 0.040281 0.883635 O\n0.423134 0.606041 0.195431 O\n0.576865 0.393959 0.804569 O\n0.957606 0.062027 0.747605 O\n0.666469 0.959719 0.116365 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Li",
"Co",
"P",
"O"
],
"chemical_system": "Co-Li-O-P",
"density": 3.4956467389904584,
"density_atomic": 0.09655843528421054,
"volume": 227.841305995122,
"volume_molar": 6.23678370747662,
"formula_full": "Li2 Co2 P4 O14",
"formula_reduced": "LiCoP2O7",
"formula_anonymous": "ABC2D7",
"energy_above_hull": 2.7645878545454545,
"spacegroup": 2
},
{
"id": "jvasp-32125",
"created_at": "2022-09-04T14:38:05.408032Z",
"updated_at": "2022-09-04T14:38:05.408060Z",
"structure_string": "Cu2 H12 N4 Cl4\n1.0\n0.000000 -0.000000 -5.771194\n3.810615 -5.387542 0.000000\n-3.810615 -5.387542 0.000000\nCu H N Cl\n2 12 4 4\ndirect\n0.750000 0.110075 0.110075 Cu\n0.250000 0.889924 0.889924 Cu\n0.894343 0.463082 0.841263 H\n0.605656 0.463082 0.841263 H\n0.750000 0.323346 0.713863 H\n0.394342 0.158737 0.536918 H\n0.105657 0.158737 0.536918 H\n0.250000 0.286136 0.676654 H\n0.605656 0.841263 0.463082 H\n0.750000 0.713863 0.323346 H\n0.250000 0.676654 0.286136 H\n0.394342 0.536918 0.158737 H\n0.105657 0.536918 0.158737 H\n0.894343 0.841263 0.463082 H\n0.250000 0.631313 0.150878 N\n0.750000 0.849122 0.368688 N\n0.250000 0.150878 0.631313 N\n0.750000 0.368688 0.849122 N\n0.250000 0.664898 0.664898 Cl\n0.250000 0.111926 0.111926 Cl\n0.750000 0.335103 0.335103 Cl\n0.750000 0.888073 0.888073 Cl\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Cu",
"H",
"N",
"Cl"
],
"chemical_system": "Cl-Cu-H-N",
"density": 2.361735164107382,
"density_atomic": 0.09284131222789972,
"volume": 236.9634753330079,
"volume_molar": 6.486488197428007,
"formula_full": "Cu2 H12 N4 Cl4",
"formula_reduced": "CuH6(NCl)2",
"formula_anonymous": "AB2C2D6",
"energy_above_hull": 2.764605916818182,
"spacegroup": 63
},
{
"id": "jvasp-118927",
"created_at": "2022-09-04T14:38:51.735997Z",
"updated_at": "2022-09-04T14:38:51.736022Z",
"structure_string": "Mg1 N2\n1.0\n4.159654 0.000000 -0.041462\n0.000000 3.124036 0.000000\n0.028756 0.000000 2.886544\nMg N\n1 2\ndirect\n0.466657 0.000000 -0.199945 Mg\n-0.180275 0.000000 0.299962 N\n0.113618 0.000000 0.299983 N\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Mg",
"N"
],
"chemical_system": "Mg-N",
"density": 2.3158424447950687,
"density_atomic": 0.0799699294245886,
"volume": 37.51410088249472,
"volume_molar": 7.530506533307448,
"formula_full": "Mg1 N2",
"formula_reduced": "MgN2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.7646218499999997,
"spacegroup": 47
},
{
"id": "jvasp-10219",
"created_at": "2022-09-04T14:38:12.383079Z",
"updated_at": "2022-09-04T14:38:12.383105Z",
"structure_string": "Zr2 P4 S12\n1.0\n6.724926 -0.000000 0.000000\n0.000000 6.724926 0.000000\n0.000000 0.000000 9.558102\nZr P S\n2 4 12\ndirect\n0.000000 0.000000 0.750000 Zr\n0.000000 0.000000 0.250000 Zr\n0.657268 0.059192 0.000000 P\n0.342733 0.940808 0.000000 P\n0.059192 0.342733 0.500000 P\n0.940808 0.657268 0.500000 P\n0.784929 0.692380 0.320565 S\n0.307620 0.784929 0.820565 S\n0.692380 0.215071 0.820565 S\n0.215071 0.307620 0.320565 S\n0.841356 0.816324 0.000000 S\n0.158644 0.183676 0.000000 S\n0.816324 0.158644 0.500000 S\n0.784929 0.692380 0.679435 S\n0.692380 0.215071 0.179435 S\n0.215071 0.307620 0.679435 S\n0.183676 0.841356 0.500000 S\n0.307620 0.784929 0.179435 S\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Zr",
"P",
"S"
],
"chemical_system": "P-S-Zr",
"density": 2.654958845004864,
"density_atomic": 0.04164144817794139,
"volume": 432.2616236371695,
"volume_molar": 14.461890792717655,
"formula_full": "Zr2 P4 S12",
"formula_reduced": "Zr(PS3)2",
"formula_anonymous": "AB2C6",
"energy_above_hull": 2.764638388888889,
"spacegroup": 84
},
{
"id": "jvasp-13166",
"created_at": "2022-09-04T14:38:17.478975Z",
"updated_at": "2022-09-04T14:38:17.479007Z",
"structure_string": "Li1 Co1 P2 O7\n1.0\n4.397738 -0.024037 -0.030553\n-0.721752 5.040917 0.038369\n-0.722322 -1.237166 4.886849\nLi Co P O\n1 1 2 7\ndirect\n0.723585 0.083134 0.309116 Li\n0.723655 0.451862 0.940282 Co\n0.132120 0.005301 0.806458 P\n0.315197 0.585686 0.386832 P\n0.465157 0.456882 0.600397 O\n-0.000138 0.397511 0.239875 O\n0.532548 0.681189 0.199975 O\n0.447438 0.152277 0.994644 O\n0.223679 0.872735 0.519421 O\n0.914768 0.192159 0.710967 O\n0.982177 0.791710 0.935236 O\n",
"nsites": 11,
"nelements": 4,
"elements": [
"Li",
"Co",
"P",
"O"
],
"chemical_system": "Co-Li-O-P",
"density": 3.6763586048329646,
"density_atomic": 0.10155014534701909,
"volume": 108.320869087982,
"volume_molar": 5.930213826303277,
"formula_full": "Li1 Co1 P2 O7",
"formula_reduced": "LiCoP2O7",
"formula_anonymous": "ABC2D7",
"energy_above_hull": 2.764733309090909,
"spacegroup": 5
},
{
"id": "jvasp-73898",
"created_at": "2022-09-04T14:36:09.570920Z",
"updated_at": "2022-09-04T14:36:09.570950Z",
"structure_string": "Be1 V2 Sn1\n1.0\n3.215174 0.000000 0.000000\n0.000000 3.215174 -0.000000\n0.000000 0.000000 5.682281\nBe V Sn\n1 2 1\ndirect\n0.000000 0.000000 0.466890 Be\n0.000000 0.000000 0.052835 V\n0.499999 0.499999 0.242829 V\n0.499999 0.499999 0.737445 Sn\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"V",
"Sn"
],
"chemical_system": "Be-Sn-V",
"density": 6.490813248204943,
"density_atomic": 0.06809705373473873,
"volume": 58.73969255089016,
"volume_molar": 8.843467418514601,
"formula_full": "Be1 V2 Sn1",
"formula_reduced": "BeV2Sn",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.76496405,
"spacegroup": 99
},
{
"id": "jvasp-43069",
"created_at": "2022-09-04T14:38:07.260036Z",
"updated_at": "2022-09-04T14:38:07.260066Z",
"structure_string": "Li4 Mn4 V4 O16\n1.0\n5.956116 0.000000 0.000000\n0.000000 5.956116 0.000000\n0.000000 -0.000000 8.189684\nLi Mn V O\n4 4 4 16\ndirect\n0.000000 0.244467 0.000000 Li\n0.000000 0.755534 0.500000 Li\n0.244467 0.000000 0.250000 Li\n0.755534 0.000000 0.750000 Li\n0.253908 0.253908 0.625000 Mn\n0.253908 0.746093 0.875000 Mn\n0.746093 0.253908 0.375000 Mn\n0.746093 0.746093 0.125000 Mn\n0.777070 0.500000 0.750000 V\n0.500000 0.777070 0.500000 V\n0.500000 0.222931 0.000000 V\n0.222931 0.500000 0.250000 V\n0.730306 0.969392 0.492465 O\n0.730306 0.030609 0.007534 O\n0.731601 0.486638 0.979448 O\n0.731601 0.513363 0.520552 O\n0.513363 0.731601 0.729448 O\n0.513363 0.268399 0.770551 O\n0.486638 0.731601 0.270552 O\n0.030609 0.730306 0.242465 O\n0.268399 0.513363 0.479448 O\n0.268399 0.486638 0.020552 O\n0.269695 0.969392 0.507534 O\n0.269695 0.030609 0.992465 O\n0.969392 0.269695 0.742465 O\n0.030609 0.269695 0.257534 O\n0.486638 0.268399 0.229448 O\n0.969392 0.730306 0.757534 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Mn",
"V",
"O"
],
"chemical_system": "Li-Mn-O-V",
"density": 4.042429730574302,
"density_atomic": 0.09637504454555883,
"volume": 290.5316426262581,
"volume_molar": 6.248651596890508,
"formula_full": "Li4 Mn4 V4 O16",
"formula_reduced": "LiMnVO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.764985063054187,
"spacegroup": 95
},
{
"id": "jvasp-87881",
"created_at": "2022-09-04T14:36:13.299866Z",
"updated_at": "2022-09-04T14:36:13.299900Z",
"structure_string": "Y8 Hf4 S20\n1.0\n7.245971 -0.000000 0.000000\n-0.000000 7.732003 0.000000\n0.000000 0.000000 11.523752\nY Hf S\n8 4 20\ndirect\n0.023938 0.997506 0.178399 Y\n0.523937 0.002493 0.321601 Y\n0.976062 0.497506 0.821601 Y\n0.476062 0.502493 0.678398 Y\n0.523937 0.497506 0.321601 Y\n0.023938 0.502493 0.178399 Y\n0.476062 0.997506 0.678398 Y\n0.976062 0.002493 0.821601 Y\n0.075713 0.750000 0.494174 Hf\n0.924287 0.250000 0.505826 Hf\n0.424287 0.750000 0.994174 Hf\n0.575713 0.250000 0.005826 Hf\n0.338257 0.463551 0.907174 S\n0.838257 0.536449 0.592826 S\n0.661743 0.963550 0.092826 S\n0.161743 0.036449 0.407174 S\n0.311724 0.750000 0.207484 S\n0.338257 0.036449 0.907174 S\n0.838257 0.963550 0.592826 S\n0.667112 0.750000 0.819004 S\n0.167112 0.250000 0.680996 S\n0.332888 0.250000 0.180996 S\n0.832888 0.750000 0.319004 S\n0.447790 0.750000 0.496681 S\n0.947790 0.250000 0.003318 S\n0.552209 0.250000 0.503318 S\n0.052209 0.750000 0.996681 S\n0.188276 0.750000 0.707484 S\n0.688276 0.250000 0.792516 S\n0.811724 0.250000 0.292516 S\n0.161743 0.463551 0.407174 S\n0.661743 0.536449 0.092826 S\n",
"nsites": 32,
"nelements": 3,
"elements": [
"Y",
"Hf",
"S"
],
"chemical_system": "Hf-S-Y",
"density": 5.3150019400938175,
"density_atomic": 0.04956412796160822,
"volume": 645.628225816599,
"volume_molar": 12.150200170301954,
"formula_full": "Y8 Hf4 S20",
"formula_reduced": "Y2HfS5",
"formula_anonymous": "AB2C5",
"energy_above_hull": 2.7650167375,
"spacegroup": 62
}
]
}