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=density_atomic&page=4174",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=density_atomic&page=4172",
"results": [
{
"id": "jvasp-10608",
"created_at": "2022-09-04T14:37:14.469937Z",
"updated_at": "2022-09-04T14:37:14.469946Z",
"structure_string": "Mg1 Ni4 O8\n1.0\n4.825252 -0.200683 3.326881\n1.640345 4.542311 3.326881\n-0.298858 -0.200683 5.853365\nMg Ni O\n1 4 8\ndirect\n0.500000 0.500002 0.499999 Mg\n0.500001 0.999999 0.500001 Ni\n0.999999 0.500001 0.500001 Ni\n0.500000 0.500000 -0.000000 Ni\n0.000000 0.000000 0.000000 Ni\n0.754312 0.284440 0.754312 O\n0.245686 0.245688 0.715561 O\n0.245687 0.715562 0.245687 O\n0.715559 0.245688 0.245688 O\n0.267329 0.267330 0.267329 O\n0.732671 0.732672 0.732671 O\n0.284440 0.754314 0.754312 O\n0.754313 0.754314 0.284439 O\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Mg",
"Ni",
"O"
],
"chemical_system": "Mg-Ni-O",
"density": 4.689495107803955,
"density_atomic": 0.09484764800658704,
"volume": 137.0619121635696,
"volume_molar": 6.349277906798248,
"formula_full": "Mg1 Ni4 O8",
"formula_reduced": "Mg(NiO2)4",
"formula_anonymous": "AB4C8",
"energy_above_hull": 2.042134357692308,
"spacegroup": 166
},
{
"id": "jvasp-21052",
"created_at": "2022-09-04T14:38:34.073713Z",
"updated_at": "2022-09-04T14:38:34.073734Z",
"structure_string": "Li12 Zr4 O14\n1.0\n5.996919 0.000000 0.000000\n-2.998460 5.144317 -0.929815\n0.000000 0.010409 10.250793\nLi Zr O\n12 4 14\ndirect\n0.415107 0.117200 0.583422 Li\n0.297908 0.882801 0.916578 Li\n0.584893 0.882801 0.416578 Li\n0.830306 0.864480 0.899331 Li\n0.165774 0.587873 0.103647 Li\n0.577902 0.412127 0.396353 Li\n0.834227 0.412127 0.896353 Li\n0.422099 0.587873 0.603647 Li\n0.034174 0.864480 0.399331 Li\n0.169695 0.135520 0.100670 Li\n0.965826 0.135521 0.600669 Li\n0.702093 0.117200 0.083423 Li\n0.938740 0.633816 0.636016 Zr\n0.304924 0.366185 0.863984 Zr\n0.061260 0.366185 0.363984 Zr\n0.695076 0.633816 0.136016 Zr\n0.645365 0.514189 0.759772 O\n0.833229 0.000000 0.250000 O\n0.166771 0.000000 0.750000 O\n0.762359 0.264953 0.502821 O\n0.497408 0.735048 0.997179 O\n0.237641 0.735048 0.497179 O\n0.502593 0.264952 0.002822 O\n0.002721 0.758592 0.022046 O\n0.244130 0.241409 0.477955 O\n0.997279 0.241409 0.977955 O\n0.755871 0.758592 0.522046 O\n0.354636 0.485812 0.240229 O\n0.868824 0.514189 0.259772 O\n0.131176 0.485812 0.740229 O\n",
"nsites": 30,
"nelements": 3,
"elements": [
"Li",
"Zr",
"O"
],
"chemical_system": "Li-O-Zr",
"density": 3.5289162782697234,
"density_atomic": 0.09484800148058517,
"volume": 316.2955416213047,
"volume_molar": 6.349254244679785,
"formula_full": "Li12 Zr4 O14",
"formula_reduced": "Li6Zr2O7",
"formula_anonymous": "A2B6C7",
"energy_above_hull": 2.270368233333333,
"spacegroup": 15
},
{
"id": "jvasp-9961",
"created_at": "2022-09-04T14:37:14.202988Z",
"updated_at": "2022-09-04T14:37:14.203012Z",
"structure_string": "Ca2 V4 O8\n1.0\n3.033815 0.000000 0.000000\n-1.516908 4.847768 0.000000\n0.000000 -0.000000 10.036131\nCa V O\n2 4 8\ndirect\n0.383182 0.766363 0.750000 Ca\n0.616819 0.233637 0.250000 Ca\n0.870974 0.741947 0.068316 V\n0.129027 0.258054 0.931684 V\n0.870974 0.741947 0.431684 V\n0.129027 0.258054 0.568316 V\n0.232989 0.465979 0.393615 O\n0.767012 0.534022 0.606385 O\n0.767012 0.534022 0.893615 O\n0.232989 0.465979 0.106385 O\n0.934502 0.869004 0.250000 O\n0.065499 0.130997 0.750000 O\n0.500001 0.000000 0.000000 O\n0.500001 0.000000 0.500000 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Ca",
"V",
"O"
],
"chemical_system": "Ca-O-V",
"density": 4.634061368996361,
"density_atomic": 0.094848571047545,
"volume": 147.60369972239414,
"volume_molar": 6.349216117321646,
"formula_full": "Ca2 V4 O8",
"formula_reduced": "CaV2O4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.533470402857142,
"spacegroup": 63
},
{
"id": "jvasp-43596",
"created_at": "2022-09-04T14:35:54.269939Z",
"updated_at": "2022-09-04T14:35:54.269956Z",
"structure_string": "Li4 Fe2 F10\n1.0\n5.035190 -0.135667 0.096216\n-2.391728 5.138506 -0.120711\n-0.198418 -2.416979 6.634650\nLi Fe F\n4 2 10\ndirect\n0.497962 0.997549 0.499710 Li\n0.128007 0.281935 0.225267 Li\n0.867878 0.713149 0.774163 Li\n0.497951 -0.002453 -0.000288 Li\n0.867443 0.741433 0.270781 Fe\n0.128453 0.253643 0.728641 Fe\n0.531433 0.384326 0.160427 F\n0.854290 0.363933 0.645970 F\n0.233782 0.163700 0.445931 F\n0.141619 0.631153 0.353451 F\n0.304356 0.018266 0.754707 F\n0.762112 0.831380 0.553494 F\n0.930245 0.187874 0.952062 F\n0.065642 0.807189 0.047364 F\n0.464465 0.610754 0.839006 F\n0.691541 0.976810 0.244717 F\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Li",
"Fe",
"F"
],
"chemical_system": "F-Fe-Li",
"density": 3.242902397968554,
"density_atomic": 0.09484862254522962,
"volume": 168.68985095034165,
"volume_molar": 6.349212670039858,
"formula_full": "Li4 Fe2 F10",
"formula_reduced": "Li2FeF5",
"formula_anonymous": "AB2C5",
"energy_above_hull": 0.2560583640624999,
"spacegroup": 2
},
{
"id": "jvasp-115520",
"created_at": "2022-09-04T14:38:28.749833Z",
"updated_at": "2022-09-04T14:38:28.749862Z",
"structure_string": "Sn1 B1 O4\n1.0\n2.579942 -3.361840 0.000000\n2.579942 3.361840 0.000000\n0.000000 0.000000 3.646547\nSn B O\n1 1 4\ndirect\n0.000000 0.000000 0.500000 Sn\n0.499999 0.499999 0.000000 B\n0.753408 0.753408 0.000000 O\n0.291727 0.708270 0.500000 O\n0.246590 0.246590 0.000000 O\n0.708270 0.291727 0.500000 O\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Sn",
"B",
"O"
],
"chemical_system": "B-O-Sn",
"density": 5.080108838505345,
"density_atomic": 0.09485330251098849,
"volume": 63.25557298655908,
"volume_molar": 6.348899406325206,
"formula_full": "Sn1 B1 O4",
"formula_reduced": "SnBO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.468028047222223,
"spacegroup": 65
},
{
"id": "jvasp-10493",
"created_at": "2022-09-04T14:36:40.860872Z",
"updated_at": "2022-09-04T14:36:40.860888Z",
"structure_string": "Li6 As2 O8\n1.0\n4.979117 0.000000 0.000000\n0.000000 5.395761 0.000000\n0.000000 0.000000 6.278524\nLi As O\n6 2 8\ndirect\n0.004502 0.166934 0.500000 Li\n0.504502 0.833066 0.000000 Li\n0.004541 0.668262 0.248066 Li\n0.504542 0.331738 0.251934 Li\n0.504542 0.331738 0.748065 Li\n0.004541 0.668262 0.751934 Li\n0.497555 0.830195 0.500000 As\n0.997556 0.169805 0.000000 As\n0.651167 0.174772 0.000000 O\n0.151166 0.825228 0.500000 O\n0.111086 0.321074 0.224898 O\n0.611087 0.678925 0.275102 O\n0.611087 0.678925 0.724897 O\n0.111086 0.321074 0.775102 O\n0.108721 0.867265 0.000000 O\n0.608721 0.132735 0.500000 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Li",
"As",
"O"
],
"chemical_system": "As-Li-O",
"density": 3.145112317397837,
"density_atomic": 0.09485437955868863,
"volume": 168.67961262769555,
"volume_molar": 6.348827316164099,
"formula_full": "Li6 As2 O8",
"formula_reduced": "Li3AsO4",
"formula_anonymous": "AB3C4",
"energy_above_hull": 1.7861044687499998,
"spacegroup": 31
},
{
"id": "jvasp-879",
"created_at": "2022-09-04T14:37:56.004447Z",
"updated_at": "2022-09-04T14:37:56.004476Z",
"structure_string": "F8\n1.0\n4.385374 0.000000 0.000000\n0.000000 4.385374 0.000000\n0.000000 0.000000 4.385374\nF\n8\ndirect\n0.000000 0.000000 0.000000 F\n0.500000 0.500000 0.500000 F\n0.250000 0.500000 0.000000 F\n0.749999 0.500000 0.000000 F\n0.500000 0.000000 0.250000 F\n0.500000 0.000000 0.749999 F\n0.000000 0.749999 0.500000 F\n0.000000 0.250000 0.500000 F\n",
"nsites": 8,
"nelements": 1,
"elements": [
"F"
],
"chemical_system": "F",
"density": 2.9925145629586996,
"density_atomic": 0.09485715057734412,
"volume": 84.33734253357107,
"volume_molar": 6.34864185076875,
"formula_full": "F8",
"formula_reduced": "F",
"formula_anonymous": "A",
"energy_above_hull": 0.6403402825,
"spacegroup": 223
},
{
"id": "jvasp-93729",
"created_at": "2022-09-04T14:35:56.177467Z",
"updated_at": "2022-09-04T14:35:56.177489Z",
"structure_string": "Tm1 Co2 B2 C1\n1.0\n3.486647 0.000000 -0.000000\n0.000000 3.486647 -0.000000\n-1.743324 -1.743324 5.203122\nTm Co B C\n1 2 2 1\ndirect\n0.000000 0.000000 0.000000 Tm\n0.750001 0.250001 0.500000 Co\n0.250001 0.750001 0.500000 Co\n0.643722 0.643722 0.287442 B\n0.356280 0.356280 0.712558 B\n0.500000 0.500000 0.000000 C\n",
"nsites": 6,
"nelements": 4,
"elements": [
"Tm",
"Co",
"B",
"C"
],
"chemical_system": "B-C-Co-Tm",
"density": 8.412145396169398,
"density_atomic": 0.09485741404559037,
"volume": 63.25283121376554,
"volume_molar": 6.348624217296963,
"formula_full": "Tm1 Co2 B2 C1",
"formula_reduced": "TmCo2B2C",
"formula_anonymous": "ABC2D2",
"energy_above_hull": 4.149436869444445,
"spacegroup": 139
},
{
"id": "jvasp-69755",
"created_at": "2022-09-04T14:35:44.017596Z",
"updated_at": "2022-09-04T14:35:44.017606Z",
"structure_string": "Be2 Cr1 Ge1\n1.0\n-1.670632 1.670632 3.777141\n1.670632 -1.670632 3.777141\n1.670632 1.670632 -3.777141\nBe Cr Ge\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.250000 0.749999 0.499999 Be\n0.500000 0.500000 0.000000 Cr\n0.749999 0.250000 0.499999 Ge\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Cr",
"Ge"
],
"chemical_system": "Be-Cr-Ge",
"density": 5.617821675984068,
"density_atomic": 0.09485827246165847,
"volume": 42.16817253989938,
"volume_molar": 6.348566765681019,
"formula_full": "Be2 Cr1 Ge1",
"formula_reduced": "Be2CrGe",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.3041813875,
"spacegroup": 119
},
{
"id": "jvasp-89182",
"created_at": "2022-09-04T14:36:08.895407Z",
"updated_at": "2022-09-04T14:36:08.895431Z",
"structure_string": "Mg8 Si4 O16\n1.0\n4.794369 -0.000000 0.000000\n-0.000000 6.010511 0.000000\n0.000000 0.000000 10.242992\nMg Si O\n8 4 16\ndirect\n0.490997 0.750000 0.776980 Mg\n0.990997 0.250000 0.723019 Mg\n0.509003 0.250000 0.223020 Mg\n0.009003 0.750000 0.276980 Mg\n0.500000 0.500000 0.500000 Mg\n0.000000 0.500000 0.000000 Mg\n0.500000 0.000000 0.500000 Mg\n0.000000 0.000000 0.000000 Mg\n0.572768 0.750000 0.094076 Si\n0.427233 0.250000 0.905924 Si\n0.927233 0.750000 0.594076 Si\n0.072767 0.250000 0.405924 Si\n0.232309 0.750000 0.091530 O\n0.732309 0.250000 0.408470 O\n0.276161 0.468216 0.836803 O\n0.722166 0.750000 0.946157 O\n0.222166 0.250000 0.553843 O\n0.277834 0.250000 0.053843 O\n0.777835 0.750000 0.446157 O\n0.776161 0.968216 0.663196 O\n0.276161 0.031784 0.836803 O\n0.223839 0.468216 0.336804 O\n0.723839 0.531784 0.163196 O\n0.223839 0.031784 0.336804 O\n0.723839 0.968216 0.163196 O\n0.776161 0.531784 0.663196 O\n0.267691 0.750000 0.591530 O\n0.767691 0.250000 0.908470 O\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Mg",
"Si",
"O"
],
"chemical_system": "Mg-O-Si",
"density": 3.166009409514528,
"density_atomic": 0.09486114118403019,
"volume": 295.1682812425809,
"volume_molar": 6.348374776893179,
"formula_full": "Mg8 Si4 O16",
"formula_reduced": "Mg2SiO4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.3684486714285713,
"spacegroup": 62
},
{
"id": "jvasp-12704",
"created_at": "2022-09-04T14:38:08.644006Z",
"updated_at": "2022-09-04T14:38:08.644034Z",
"structure_string": "Li2 Mo4 O8\n1.0\n5.285096 -0.001100 3.049572\n1.906941 4.779481 2.801588\n0.144868 -0.201441 5.853769\nLi Mo O\n2 4 8\ndirect\n0.124983 0.125012 0.125012 Li\n0.874972 0.875036 0.874996 Li\n0.502333 0.479854 0.479851 Mo\n0.479854 0.037954 0.502336 Mo\n0.037972 0.479857 0.479850 Mo\n0.479854 0.502325 0.037960 Mo\n0.220072 0.296633 0.763237 O\n0.712057 0.751087 0.751084 O\n0.751099 0.712043 0.285770 O\n0.220082 0.763235 0.296622 O\n0.296638 0.220054 0.220074 O\n0.285772 0.751084 0.751093 O\n0.751088 0.285777 0.712048 O\n0.763232 0.220054 0.220067 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Li",
"Mo",
"O"
],
"chemical_system": "Li-Mo-O",
"density": 5.914445440019398,
"density_atomic": 0.0948651886837992,
"volume": 147.57784382492753,
"volume_molar": 6.34810391836436,
"formula_full": "Li2 Mo4 O8",
"formula_reduced": "Li(MoO2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 3.3347922571428565,
"spacegroup": 119
},
{
"id": "jvasp-47523",
"created_at": "2022-09-04T14:35:50.726769Z",
"updated_at": "2022-09-04T14:35:50.726795Z",
"structure_string": "Co6 Sb2 O16\n1.0\n5.666636 -0.000018 -0.000009\n-2.833334 4.907478 0.000018\n0.000112 -0.000196 9.097172\nCo Sb O\n6 2 16\ndirect\n0.168559 0.831544 0.213987 Co\n0.168553 0.337030 0.213986 Co\n0.663066 0.831542 0.213996 Co\n0.336935 0.168475 0.713996 Co\n0.831442 0.662984 0.713987 Co\n0.831448 0.168476 0.713986 Co\n0.333296 0.666660 0.493096 Sb\n0.666704 0.333364 0.993096 Sb\n0.842710 0.685328 0.101239 O\n0.666595 0.333305 0.610292 O\n0.515050 0.030164 0.832721 O\n0.515056 0.484897 0.832718 O\n0.685233 0.842623 0.601250 O\n0.314768 0.157391 0.101251 O\n0.484950 0.515112 0.332722 O\n0.000060 0.000042 0.310647 O\n0.157295 0.314690 0.601233 O\n-0.000061 -0.000019 0.810647 O\n0.969806 0.484913 0.832694 O\n0.333406 0.666710 0.110293 O\n0.030194 0.515108 0.332694 O\n0.157291 0.842618 0.601239 O\n0.484945 0.969843 0.332718 O\n0.842706 0.157395 0.101233 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Co",
"Sb",
"O"
],
"chemical_system": "Co-O-Sb",
"density": 5.599698238872868,
"density_atomic": 0.09486848265833946,
"volume": 252.98180520535888,
"volume_molar": 6.347883502773216,
"formula_full": "Co6 Sb2 O16",
"formula_reduced": "Co3SbO8",
"formula_anonymous": "AB3C8",
"energy_above_hull": 3.0294914000000004,
"spacegroup": 186
}
]
}