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=nsites&page=3589",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=nsites&page=3587",
"results": [
{
"id": "jvasp-43827",
"created_at": "2022-09-04T14:35:59.737254Z",
"updated_at": "2022-09-04T14:35:59.737287Z",
"structure_string": "Li4 Fe2 F8\n1.0\n3.158538 0.000000 0.000000\n0.000000 8.585094 0.000000\n0.000000 0.000000 8.611149\nLi Fe F\n4 2 8\ndirect\n0.000000 0.258324 0.487985 Li\n0.000000 0.234471 0.988070 Li\n0.000000 0.758324 0.512015 Li\n0.000000 0.734470 0.011930 Li\n0.500000 -0.003561 0.750026 Fe\n0.500000 0.496439 0.249974 Fe\n0.000000 0.111482 0.635335 F\n0.500000 0.164756 0.918102 F\n0.500000 0.328079 0.418018 F\n0.000000 0.381423 0.135284 F\n0.000000 0.611482 0.364666 F\n0.500000 0.664755 0.081898 F\n0.500000 0.828079 0.581982 F\n0.000000 0.881423 0.864716 F\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Li",
"Fe",
"F"
],
"chemical_system": "F-Fe-Li",
"density": 2.072563364780594,
"density_atomic": 0.059956430712517945,
"volume": 233.50289257757672,
"volume_molar": 10.04419490692376,
"formula_full": "Li4 Fe2 F8",
"formula_reduced": "Li2FeF4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 0.3259895185714285,
"spacegroup": 127
},
{
"id": "jvasp-50336",
"created_at": "2022-09-04T14:36:06.724408Z",
"updated_at": "2022-09-04T14:36:06.724428Z",
"structure_string": "Hf6 N8\n1.0\n-4.529355 4.529355 0.000000\n4.529355 -0.000000 4.529355\n4.529355 4.529355 -0.000000\nHf N\n6 8\ndirect\n0.500001 0.000000 0.000000 Hf\n0.500001 0.000000 0.500001 Hf\n0.125000 0.250000 0.125000 Hf\n0.500001 0.500001 0.500001 Hf\n0.875001 0.750001 0.875001 Hf\n0.000000 0.500001 0.500001 Hf\n0.742226 0.484451 0.273326 N\n0.742226 0.015550 0.742226 N\n0.273326 0.015550 0.742226 N\n0.742226 0.484451 0.742226 N\n0.257775 0.515550 0.257775 N\n0.726675 0.984451 0.257775 N\n0.257775 0.515550 0.726675 N\n0.257775 0.984451 0.257775 N\n",
"nsites": 14,
"nelements": 2,
"elements": [
"Hf",
"N"
],
"chemical_system": "Hf-N",
"density": 10.570424144141757,
"density_atomic": 0.0753336408204504,
"volume": 185.8399494240228,
"volume_molar": 7.993959530448187,
"formula_full": "Hf6 N8",
"formula_reduced": "Hf3N4",
"formula_anonymous": "A3B4",
"energy_above_hull": 5.778746,
"spacegroup": 227
},
{
"id": "jvasp-48338",
"created_at": "2022-09-04T14:35:56.026218Z",
"updated_at": "2022-09-04T14:35:56.026251Z",
"structure_string": "Li2 Mn4 O5 F3\n1.0\n-4.364848 4.149258 0.048443\n4.364848 0.048443 4.149258\n4.380386 4.162279 0.035423\nLi Mn O F\n2 4 5 3\ndirect\n0.617803 0.250242 0.620839 Li\n0.128917 0.761358 0.620838 Li\n0.609868 0.250941 0.139191 Mn\n0.018360 0.000196 0.981444 Mn\n0.241636 0.482222 0.276142 Mn\n0.625303 0.751955 0.622741 Mn\n0.836996 0.216505 0.381540 O\n0.400075 0.248670 0.351257 O\n0.847238 0.716407 0.866091 O\n0.417502 0.286671 0.866091 O\n0.401956 0.781465 0.381540 O\n0.880991 0.723206 0.395802 F\n0.855273 0.255811 0.888915 F\n0.368074 0.774346 0.857579 F\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Li",
"Mn",
"O",
"F"
],
"chemical_system": "F-Li-Mn-O",
"density": 4.075285336206431,
"density_atomic": 0.09270445839939809,
"volume": 151.01754804158264,
"volume_molar": 6.496063796689093,
"formula_full": "Li2 Mn4 O5 F3",
"formula_reduced": "Li2Mn4O5F3",
"formula_anonymous": "A2B3C4D5",
"energy_above_hull": 2.491427665215517,
"spacegroup": 8
},
{
"id": "jvasp-42821",
"created_at": "2022-09-04T14:35:53.384917Z",
"updated_at": "2022-09-04T14:35:53.384928Z",
"structure_string": "Li2 Fe2 Co2 O8\n1.0\n5.635045 0.027915 0.076544\n0.046326 5.634924 0.076544\n2.857221 2.847902 4.088592\nLi Fe Co O\n2 2 2 8\ndirect\n0.000001 0.500000 -0.000001 Li\n0.500000 -0.000000 0.499999 Li\n0.000001 0.500000 0.499999 Fe\n0.500000 -0.000000 -0.000001 Fe\n0.000000 0.000000 0.000000 Co\n0.000000 0.000000 0.500000 Co\n0.235155 0.210444 0.027248 O\n0.239689 0.760279 0.020547 O\n0.210445 0.235155 0.527247 O\n0.239722 0.760312 0.479451 O\n0.760279 0.239688 0.520546 O\n0.789557 0.764845 0.472750 O\n0.760312 0.239721 0.979451 O\n0.764846 0.789555 0.972750 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Li",
"Fe",
"Co",
"O"
],
"chemical_system": "Co-Fe-Li-O",
"density": 4.842221191006378,
"density_atomic": 0.10991131054873504,
"volume": 127.37542596939879,
"volume_molar": 5.479091032519136,
"formula_full": "Li2 Fe2 Co2 O8",
"formula_reduced": "LiFeCoO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.561251485714285,
"spacegroup": 74
},
{
"id": "jvasp-89319",
"created_at": "2022-09-04T14:35:53.859022Z",
"updated_at": "2022-09-04T14:35:53.859042Z",
"structure_string": "Zn1 Cd1 Se4 C4 N4\n1.0\n4.346614 0.000022 1.256530\n2.173404 8.041662 0.628335\n-0.056163 0.000050 8.354681\nZn Cd Se C N\n1 1 4 4 4\ndirect\n0.749936 0.500115 0.500029 Zn\n0.499990 0.000009 -0.000004 Cd\n0.301369 0.718476 0.026543 Se\n0.672189 0.026509 0.281415 Se\n0.980792 0.973349 0.718622 Se\n0.045829 0.281269 0.973370 Se\n0.455185 0.641277 0.203842 C\n0.341002 0.203845 0.358698 C\n0.903965 0.796167 0.641266 C\n0.299859 0.358715 0.796164 C\n0.554894 0.588981 0.318062 N\n0.127029 0.318074 0.411091 N\n0.856395 0.682026 0.588883 N\n0.461559 0.411185 0.682023 N\n",
"nsites": 14,
"nelements": 5,
"elements": [
"Zn",
"Cd",
"Se",
"C",
"N"
],
"chemical_system": "C-Cd-N-Se-Zn",
"density": 3.3922241560950344,
"density_atomic": 0.04784744123488381,
"volume": 292.5966287575084,
"volume_molar": 12.586129173422712,
"formula_full": "Zn1 Cd1 Se4 C4 N4",
"formula_reduced": "ZnCdC4(SeN)4",
"formula_anonymous": "ABC4D4E4",
"energy_above_hull": 4.145822615476191,
"spacegroup": 82
},
{
"id": "jvasp-48433",
"created_at": "2022-09-04T14:35:55.967068Z",
"updated_at": "2022-09-04T14:35:55.967090Z",
"structure_string": "Li6 Co2 O4 F2\n1.0\n5.428876 0.223794 -0.041682\n0.581716 5.137766 -0.003396\n0.273759 2.566987 5.060333\nLi Co O F\n6 2 4 2\ndirect\n0.883703 0.243630 0.368483 Li\n0.841010 0.837133 0.974799 Li\n0.579647 0.001388 0.287287 Li\n0.420354 -0.001389 0.712713 Li\n0.158991 0.162868 0.025200 Li\n0.116298 0.756370 0.631516 Li\n0.642128 0.524566 0.658288 Co\n0.357873 0.475435 0.341711 Co\n0.757380 0.866153 0.639424 O\n0.668958 0.619386 0.282542 O\n0.331044 0.380615 0.717457 O\n0.242621 0.133848 0.360575 O\n0.810782 0.201391 0.037144 F\n0.189220 0.798609 -0.037144 F\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Li",
"Co",
"O",
"F"
],
"chemical_system": "Co-F-Li-O",
"density": 3.090053859188648,
"density_atomic": 0.09962354853514031,
"volume": 140.5290235677739,
"volume_molar": 6.044896862789227,
"formula_full": "Li6 Co2 O4 F2",
"formula_reduced": "Li3CoO2F",
"formula_anonymous": "ABC2D3",
"energy_above_hull": 1.3655568832142857,
"spacegroup": 2
},
{
"id": "jvasp-53575",
"created_at": "2022-09-04T14:35:53.059848Z",
"updated_at": "2022-09-04T14:35:53.059868Z",
"structure_string": "Pr4 Pb2 S8\n1.0\n7.132198 -0.004808 -2.518669\n-3.570263 6.174259 -2.518668\n0.002775 0.004808 7.563856\nPr Pb S\n4 2 8\ndirect\n0.116373 0.750000 0.866373 Pr\n0.250001 0.616373 0.366373 Pr\n0.383628 0.250000 0.633628 Pr\n0.750001 0.883628 0.133628 Pr\n0.625000 0.375000 0.250000 Pb\n0.875001 0.125000 0.750001 Pb\n0.008694 0.855562 0.498384 S\n0.010310 0.357178 0.501617 S\n0.489691 0.991307 0.346868 S\n0.144439 0.142822 0.153132 S\n0.355562 0.508694 0.998385 S\n0.642823 0.644439 0.653133 S\n0.491308 0.989691 0.846869 S\n0.857178 0.510309 0.001616 S\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Pr",
"Pb",
"S"
],
"chemical_system": "Pb-Pr-S",
"density": 6.153901004651233,
"density_atomic": 0.04202624122518026,
"volume": 333.1251996814747,
"volume_molar": 14.329477451321058,
"formula_full": "Pr4 Pb2 S8",
"formula_reduced": "Pr2PbS4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.5754986457142857,
"spacegroup": 122
},
{
"id": "jvasp-43813",
"created_at": "2022-09-04T14:36:06.101019Z",
"updated_at": "2022-09-04T14:36:06.101037Z",
"structure_string": "Li2 Mn1 Co3 O8\n1.0\n5.701830 -0.000000 -0.031040\n-0.000000 5.676938 0.000000\n2.678009 2.838469 4.057675\nLi Mn Co O\n2 1 3 8\ndirect\n0.500000 0.500000 0.500001 Li\n0.500000 -0.000000 0.500001 Li\n0.000000 0.000000 0.000000 Mn\n0.000000 0.500000 -0.000000 Co\n-0.000000 0.500000 0.500001 Co\n-0.000000 -0.000000 0.500001 Co\n0.206016 0.733582 0.030609 O\n0.206016 0.235810 0.030609 O\n0.206911 0.732021 0.535959 O\n0.213154 0.234117 0.531767 O\n0.786846 0.765883 0.468234 O\n0.793089 0.267979 0.464043 O\n0.793984 0.764190 0.969392 O\n0.793984 0.266418 0.969392 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.706628920894804,
"density_atomic": 0.10620984886256975,
"volume": 131.8145176735474,
"volume_molar": 5.670039854582931,
"formula_full": "Li2 Mn1 Co3 O8",
"formula_reduced": "Li2MnCo3O8",
"formula_anonymous": "AB2C3D8",
"energy_above_hull": 2.956504852955665,
"spacegroup": 12
},
{
"id": "jvasp-46525",
"created_at": "2022-09-04T14:36:08.275530Z",
"updated_at": "2022-09-04T14:36:08.275555Z",
"structure_string": "Zn2 Ni4 O8\n1.0\n0.000048 4.127403 4.127469\n4.127352 0.000009 4.127506\n4.127276 4.127366 0.000084\nZn Ni O\n2 4 8\ndirect\n0.124988 0.125006 0.125044 Zn\n0.875012 0.874994 0.874956 Zn\n0.500000 0.500000 1.000000 Ni\n0.500000 0.999999 0.500000 Ni\n0.999999 0.500001 0.499999 Ni\n0.500000 0.500001 0.500001 Ni\n0.263331 0.263338 0.263371 O\n0.709982 0.263338 0.263372 O\n0.263323 0.710008 0.263366 O\n0.263326 0.263334 0.710037 O\n0.736674 0.736667 0.289963 O\n0.736676 0.289993 0.736634 O\n0.736669 0.736661 0.736630 O\n0.290018 0.736662 0.736630 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Zn",
"Ni",
"O"
],
"chemical_system": "Ni-O-Zn",
"density": 5.828567773356589,
"density_atomic": 0.09955824953478574,
"volume": 140.62119478213995,
"volume_molar": 6.048861634410175,
"formula_full": "Zn2 Ni4 O8",
"formula_reduced": "Zn(NiO2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.490138457142857,
"spacegroup": 227
},
{
"id": "jvasp-86900",
"created_at": "2022-09-04T14:35:53.960443Z",
"updated_at": "2022-09-04T14:35:53.960475Z",
"structure_string": "Hg2 C4 Se4 N4\n1.0\n4.249572 -0.000047 0.000034\n-0.000094 6.165831 -0.230376\n0.000083 0.001405 11.541648\nHg C Se N\n2 4 4 4\ndirect\n0.499999 -0.000001 0.500000 Hg\n0.000000 0.000000 0.000000 Hg\n0.214779 0.449010 0.628474 C\n0.785221 0.550988 0.371526 C\n0.644708 0.837264 0.843009 C\n0.855287 0.837292 0.343005 C\n0.355292 0.162735 0.156991 Se\n0.144713 0.162707 0.656995 Se\n0.285218 0.449029 0.128473 Se\n0.714782 0.550970 0.871527 Se\n0.750152 0.364796 0.883174 N\n0.249848 0.635202 0.116825 N\n0.749848 0.364814 0.383180 N\n0.250152 0.635185 0.616819 N\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Hg",
"C",
"Se",
"N"
],
"chemical_system": "C-Hg-N-Se",
"density": 4.50851002681331,
"density_atomic": 0.046293650305902614,
"volume": 302.41728417374225,
"volume_molar": 13.008567525365685,
"formula_full": "Hg2 C4 Se4 N4",
"formula_reduced": "HgC2(SeN)2",
"formula_anonymous": "AB2C2D2",
"energy_above_hull": 3.8878196904761895,
"spacegroup": 1
},
{
"id": "jvasp-42824",
"created_at": "2022-09-04T14:35:56.668018Z",
"updated_at": "2022-09-04T14:35:56.668048Z",
"structure_string": "Li2 Ti2 Mn2 O8\n1.0\n5.775131 -0.000000 -0.000000\n2.887566 5.059169 -0.064694\n2.887566 1.625395 4.791395\nLi Ti Mn O\n2 2 2 8\ndirect\n0.124918 0.125082 0.125082 Li\n0.875083 0.874918 0.874918 Li\n0.500001 -0.000000 0.500000 Ti\n0.500000 0.500000 0.000000 Ti\n0.000001 0.500000 0.500000 Mn\n0.500001 0.500000 0.500000 Mn\n0.260471 0.260735 0.260735 O\n0.257869 0.270736 0.713527 O\n0.257868 0.713527 0.270736 O\n0.718061 0.260735 0.260735 O\n0.281941 0.739265 0.739265 O\n0.742133 0.729264 0.286473 O\n0.742133 0.286472 0.729263 O\n0.739531 0.739265 0.739265 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Li",
"Ti",
"Mn",
"O"
],
"chemical_system": "Li-Mn-O-Ti",
"density": 4.1039792645185535,
"density_atomic": 0.09957382079163256,
"volume": 140.59920457703734,
"volume_molar": 6.0479157193353945,
"formula_full": "Li2 Ti2 Mn2 O8",
"formula_reduced": "LiTiMnO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.6360799392446634,
"spacegroup": 74
},
{
"id": "jvasp-85405",
"created_at": "2022-09-04T14:35:59.692269Z",
"updated_at": "2022-09-04T14:35:59.692291Z",
"structure_string": "Eu6 As8\n1.0\n5.205034 -0.000408 1.738895\n2.602903 7.498620 0.870350\n0.005105 -0.000746 8.661578\nEu As\n6 8\ndirect\n0.455452 0.496673 0.166813 Eu\n0.117810 0.505564 0.832173 Eu\n0.372409 0.996427 0.332166 Eu\n0.701145 0.005333 0.666824 Eu\n0.000728 0.000975 -0.000478 Eu\n0.750695 0.501012 0.499511 Eu\n0.587963 0.781253 0.958026 As\n0.743359 0.309802 0.818126 As\n0.118273 0.720713 0.458062 As\n0.871575 0.692246 0.181265 As\n0.802152 0.192194 0.318121 As\n0.295068 0.279985 0.542187 As\n0.324120 0.221975 0.042162 As\n0.312813 0.809741 0.681259 As\n",
"nsites": 14,
"nelements": 2,
"elements": [
"Eu",
"As"
],
"chemical_system": "As-Eu",
"density": 7.423870560047251,
"density_atomic": 0.04141901814352051,
"volume": 338.0089781821669,
"volume_molar": 14.53955460540556,
"formula_full": "Eu6 As8",
"formula_reduced": "Eu3As4",
"formula_anonymous": "A3B4",
"energy_above_hull": 2.086932428571428,
"spacegroup": 43
}
]
}