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=684",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-created_at&page=682",
"results": [
{
"id": "jvasp-57447",
"created_at": "2022-09-04T14:38:33.464340Z",
"updated_at": "2022-09-04T14:38:33.464351Z",
"structure_string": "Si6 O12\n1.0\n4.568097 0.000105 -0.821579\n-0.332101 4.695044 -1.845923\n-0.009359 -0.030966 6.846603\nSi O\n6 12\ndirect\n0.670742 0.691040 0.673335 Si\n0.329259 0.308957 0.326664 Si\n0.750000 0.356627 -0.000000 Si\n0.170741 0.982292 0.673335 Si\n0.250000 0.643371 0.000000 Si\n0.829259 0.017705 0.326664 Si\n0.539201 0.547935 0.850587 O\n0.317768 0.656199 0.517086 O\n0.539699 0.036543 0.818977 O\n0.182232 0.139113 0.482913 O\n0.682232 0.343798 0.482913 O\n0.960301 0.217565 0.181022 O\n0.960800 0.697348 0.149412 O\n0.039699 0.782432 0.818978 O\n0.039200 0.302650 0.850587 O\n0.460301 0.963454 0.181022 O\n0.817768 0.860884 0.517086 O\n0.460800 0.452062 0.149412 O\n",
"nsites": 18,
"nelements": 2,
"elements": [
"Si",
"O"
],
"chemical_system": "O-Si",
"density": 4.085220293068326,
"density_atomic": 0.12283627328087912,
"volume": 146.53651986690406,
"volume_molar": 4.902575272883516,
"formula_full": "Si6 O12",
"formula_reduced": "SiO2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.4443685333333338,
"spacegroup": 15
},
{
"id": "jvasp-35953",
"created_at": "2022-09-04T14:38:33.463783Z",
"updated_at": "2022-09-04T14:38:33.463805Z",
"structure_string": "Be2 C4\n1.0\n3.368954 0.000000 0.000000\n-0.000000 3.368954 0.000000\n0.000000 0.000000 5.141500\nBe C\n2 4\ndirect\n0.499999 0.499999 0.000000 Be\n0.000000 0.000000 0.500000 Be\n0.868689 0.868689 0.000000 C\n0.631309 0.368689 0.500000 C\n0.131310 0.131310 0.000000 C\n0.368689 0.631309 0.500000 C\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Be",
"C"
],
"chemical_system": "Be-C",
"density": 1.8799866259759963,
"density_atomic": 0.10281849627258775,
"volume": 58.35525919473741,
"volume_molar": 5.8570597492832155,
"formula_full": "Be2 C4",
"formula_reduced": "BeC2",
"formula_anonymous": "AB2",
"energy_above_hull": 4.339442033333333,
"spacegroup": 136
},
{
"id": "jvasp-21512",
"created_at": "2022-09-04T14:38:33.460394Z",
"updated_at": "2022-09-04T14:38:33.460425Z",
"structure_string": "Pd8 Se2\n1.0\n5.321514 0.000000 0.000000\n0.000000 5.321514 -0.000000\n0.000000 -0.000000 5.717012\nPd Se\n8 2\ndirect\n0.625818 0.769072 0.846723 Pd\n0.730927 0.874181 0.346723 Pd\n0.269072 0.125818 0.346723 Pd\n0.230927 0.625818 0.153277 Pd\n0.874181 0.269072 0.653277 Pd\n0.125818 0.730927 0.653277 Pd\n0.374181 0.230927 0.846723 Pd\n0.769072 0.374181 0.153277 Pd\n0.500000 0.500000 0.500000 Se\n0.000000 0.000000 0.000000 Se\n",
"nsites": 10,
"nelements": 2,
"elements": [
"Pd",
"Se"
],
"chemical_system": "Pd-Se",
"density": 10.35192800411906,
"density_atomic": 0.06176756460024421,
"volume": 161.89726865093954,
"volume_molar": 9.749681404754933,
"formula_full": "Pd8 Se2",
"formula_reduced": "Pd4Se",
"formula_anonymous": "AB4",
"energy_above_hull": 1.6902392333333331,
"spacegroup": 114
},
{
"id": "jvasp-21486",
"created_at": "2022-09-04T14:38:33.454369Z",
"updated_at": "2022-09-04T14:38:33.454386Z",
"structure_string": "K2 Be2 Pb1 F8\n1.0\n5.082974 0.000989 5.547973\n2.157895 4.602185 5.547973\n0.001555 0.000989 7.524401\nK Be Pb F\n2 2 1 8\ndirect\n0.202127 0.202127 0.202127 K\n0.797873 0.797873 0.797873 K\n0.596737 0.596737 0.596737 Be\n0.403263 0.403263 0.403263 Be\n0.000000 0.000000 0.000000 Pb\n0.257121 0.728303 0.728303 F\n0.728303 0.257121 0.728304 F\n0.728304 0.728303 0.257121 F\n0.327383 0.327383 0.327383 F\n0.672617 0.672617 0.672617 F\n0.271697 0.742878 0.271696 F\n0.271696 0.271696 0.742879 F\n0.742878 0.271696 0.271696 F\n",
"nsites": 13,
"nelements": 4,
"elements": [
"K",
"Be",
"Pb",
"F"
],
"chemical_system": "Be-F-K-Pb",
"density": 4.298067577482987,
"density_atomic": 0.07388676600887686,
"volume": 175.9449046455513,
"volume_molar": 8.150499859848368,
"formula_full": "K2 Be2 Pb1 F8",
"formula_reduced": "K2Be2PbF8",
"formula_anonymous": "AB2C2D8",
"energy_above_hull": 0.0,
"spacegroup": 166
},
{
"id": "jvasp-9264",
"created_at": "2022-09-04T14:38:33.453438Z",
"updated_at": "2022-09-04T14:38:33.453463Z",
"structure_string": "Sr2 Y1 Tl1 Ni2 O7\n1.0\n3.754579 0.000000 0.000000\n0.000000 3.754579 -0.000000\n0.000000 0.000000 12.234038\nSr Y Tl Ni O\n2 1 1 2 7\ndirect\n0.500000 0.500000 0.206314 Sr\n0.500000 0.500000 0.793686 Sr\n0.500000 0.500000 0.500000 Y\n0.000000 0.000000 0.000000 Tl\n0.000000 0.000000 0.356909 Ni\n0.000000 0.000000 0.643091 Ni\n0.000000 0.500000 0.381465 O\n0.500000 0.000000 0.381465 O\n0.000000 0.500000 0.618535 O\n0.500000 0.000000 0.618535 O\n0.000000 0.000000 0.183142 O\n0.000000 0.000000 0.816858 O\n0.500000 0.500000 0.000000 O\n",
"nsites": 13,
"nelements": 5,
"elements": [
"Sr",
"Y",
"Tl",
"Ni",
"O"
],
"chemical_system": "Ni-O-Sr-Tl-Y",
"density": 6.719814568976735,
"density_atomic": 0.0753791149071495,
"volume": 172.46156333903815,
"volume_molar": 7.989137000902641,
"formula_full": "Sr2 Y1 Tl1 Ni2 O7",
"formula_reduced": "Sr2YTlNi2O7",
"formula_anonymous": "ABC2D2E7",
"energy_above_hull": 1.7332230746153847,
"spacegroup": 123
},
{
"id": "jvasp-59748",
"created_at": "2022-09-04T14:38:33.447237Z",
"updated_at": "2022-09-04T14:38:33.447262Z",
"structure_string": "Hg4 Os4 O14\n1.0\n6.360329 0.000000 3.672138\n2.120109 5.996575 3.672138\n-0.000000 -0.000000 7.344274\nHg Os O\n4 4 14\ndirect\n0.500000 0.500000 0.500000 Hg\n0.000000 0.500000 0.500000 Hg\n0.500000 0.000000 0.500000 Hg\n0.500000 0.500000 0.000000 Hg\n0.000000 0.000000 0.000000 Os\n0.000000 0.000000 0.500000 Os\n0.500000 -0.000000 0.000000 Os\n0.000000 0.500000 0.000000 Os\n0.063781 0.686218 0.063782 O\n0.686219 0.063781 0.686219 O\n0.686219 0.063781 0.063781 O\n0.625000 0.625000 0.625000 O\n0.936219 0.313781 0.313781 O\n0.313782 0.936218 0.313782 O\n0.313781 0.313781 0.936218 O\n0.936219 0.936218 0.313782 O\n0.936219 0.313781 0.936219 O\n0.063781 0.686218 0.686219 O\n0.313782 0.936218 0.936219 O\n0.375000 0.375000 0.375000 O\n0.686219 0.686218 0.063782 O\n0.063781 0.063781 0.686218 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Hg",
"Os",
"O"
],
"chemical_system": "Hg-O-Os",
"density": 10.59517001462797,
"density_atomic": 0.0785400112091501,
"volume": 280.1120048406225,
"volume_molar": 7.667608735072864,
"formula_full": "Hg4 Os4 O14",
"formula_reduced": "Hg2Os2O7",
"formula_anonymous": "A2B2C7",
"energy_above_hull": 2.7209630636363635,
"spacegroup": 227
},
{
"id": "jvasp-57259",
"created_at": "2022-09-04T14:38:33.444139Z",
"updated_at": "2022-09-04T14:38:33.444161Z",
"structure_string": "V4 Cd4 Ag4 O16\n1.0\n5.496344 0.000000 0.000000\n-0.000000 7.004749 0.000000\n0.000000 0.000000 9.955601\nV Cd Ag O\n4 4 4 16\ndirect\n0.990268 0.750000 0.678530 V\n0.490269 0.250000 0.821470 V\n0.009731 0.250000 0.321470 V\n0.509730 0.750000 0.178530 V\n0.500000 0.500000 0.500000 Cd\n0.000000 0.500000 0.000000 Cd\n0.500000 0.000000 0.500000 Cd\n0.000000 0.000000 0.000000 Cd\n0.505545 0.750000 0.847750 Ag\n0.005545 0.250000 0.652250 Ag\n0.494454 0.250000 0.152250 Ag\n0.994454 0.750000 0.347750 Ag\n0.652645 0.550774 0.116705 O\n0.152646 0.449226 0.383295 O\n0.652645 0.949226 0.116705 O\n0.152646 0.050774 0.383295 O\n0.347354 0.449226 0.883295 O\n0.847354 0.550774 0.616705 O\n0.203277 0.750000 0.126904 O\n0.439481 0.250000 0.643805 O\n0.796722 0.250000 0.873096 O\n0.296722 0.750000 0.626904 O\n0.560518 0.750000 0.356195 O\n0.060518 0.250000 0.143805 O\n0.847354 0.949226 0.616705 O\n0.939481 0.750000 0.856195 O\n0.703277 0.250000 0.373096 O\n0.347354 0.050774 0.883295 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"V",
"Cd",
"Ag",
"O"
],
"chemical_system": "Ag-Cd-O-V",
"density": 5.809019594754694,
"density_atomic": 0.07305064664581304,
"volume": 383.29571722695823,
"volume_molar": 8.243788435163928,
"formula_full": "V4 Cd4 Ag4 O16",
"formula_reduced": "VCdAgO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 1.6863193157142855,
"spacegroup": 62
},
{
"id": "jvasp-56367",
"created_at": "2022-09-04T14:38:33.442372Z",
"updated_at": "2022-09-04T14:38:33.442385Z",
"structure_string": "K6 Bi2\n1.0\n3.072973 -5.322546 -0.000000\n3.072973 5.322546 0.000000\n-0.000000 0.000000 10.903472\nK Bi\n6 2\ndirect\n0.666667 0.333332 0.918140 K\n0.333332 0.666667 0.418140 K\n0.000000 0.000000 0.250000 K\n0.333332 0.666667 0.081860 K\n0.000000 0.000000 0.750000 K\n0.666667 0.333332 0.581859 K\n0.333332 0.666667 0.750000 Bi\n0.666667 0.333332 0.250000 Bi\n",
"nsites": 8,
"nelements": 2,
"elements": [
"K",
"Bi"
],
"chemical_system": "Bi-K",
"density": 3.038017802981024,
"density_atomic": 0.022429366669509045,
"volume": 356.67525159662085,
"volume_molar": 26.84935713404082,
"formula_full": "K6 Bi2",
"formula_reduced": "K3Bi",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 194
},
{
"id": "jvasp-7136",
"created_at": "2022-09-04T14:38:33.442199Z",
"updated_at": "2022-09-04T14:38:33.442220Z",
"structure_string": "H5 Pb1 C1 I3 N2\n1.0\n6.485829 0.000000 -0.000000\n0.000001 6.309774 -0.000000\n0.000000 -0.000000 6.406172\nH Pb C I N\n5 1 1 3 2\ndirect\n0.500000 0.702377 0.500000 H\n0.809213 0.525516 0.500000 H\n0.697814 0.272378 0.500000 H\n0.302186 0.272378 0.500000 H\n0.190787 0.525516 0.500000 H\n-0.000000 0.945151 0.000000 Pb\n0.500001 0.529021 0.500000 C\n0.500000 0.958176 0.000000 I\n-0.000000 0.444192 0.000000 I\n-0.000000 0.926661 0.500000 I\n0.679605 0.433572 0.500000 N\n0.320393 0.433572 0.500000 N\n",
"nsites": 12,
"nelements": 5,
"elements": [
"H",
"Pb",
"C",
"I",
"N"
],
"chemical_system": "C-H-I-N-Pb",
"density": 4.009214366087165,
"density_atomic": 0.04577236502641492,
"volume": 262.1669208719034,
"volume_molar": 13.156717500886536,
"formula_full": "H5 Pb1 C1 I3 N2",
"formula_reduced": "H5PbCI3N2",
"formula_anonymous": "ABC2D3E5",
"energy_above_hull": 2.8686113454166664,
"spacegroup": 25
},
{
"id": "jvasp-21668",
"created_at": "2022-09-04T14:38:33.440593Z",
"updated_at": "2022-09-04T14:38:33.440612Z",
"structure_string": "Li8 Mg4 Si4 O16\n1.0\n0.000000 5.019720 -0.006511\n10.743622 0.000000 0.000000\n0.000000 -4.962428 -6.284907\nLi Mg Si O\n8 4 4 16\ndirect\n0.687650 0.837728 0.997402 Li\n0.312350 0.337728 0.502599 Li\n0.312350 0.162272 0.002599 Li\n0.687650 0.662272 0.497401 Li\n0.535600 0.925488 0.238114 Li\n0.464400 0.425488 0.261886 Li\n0.464400 0.074512 0.761886 Li\n0.535600 0.574512 0.738114 Li\n0.190900 0.834219 0.500675 Mg\n0.809100 0.165780 0.499325 Mg\n0.190900 0.665780 0.000675 Mg\n0.809100 0.334220 -0.000675 Mg\n0.935318 0.913922 0.749783 Si\n0.935318 0.586078 0.249783 Si\n0.064682 0.086078 0.250218 Si\n0.064682 0.413922 0.750218 Si\n0.956696 0.941209 0.249071 O\n0.043304 0.058790 0.750929 O\n0.604324 0.910388 0.748409 O\n0.395676 0.410388 0.751592 O\n0.395676 0.089612 0.251591 O\n0.043304 0.441209 0.250929 O\n0.172854 0.159666 0.466900 O\n0.172854 0.340334 0.966900 O\n0.256149 0.660199 0.462999 O\n0.604324 0.589612 0.248409 O\n0.743851 0.339801 0.537002 O\n0.256149 0.839801 0.962999 O\n0.743851 0.160199 0.037002 O\n0.956696 0.558790 0.749071 O\n0.827146 0.840334 0.533101 O\n0.827146 0.659666 0.033100 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Li",
"Mg",
"Si",
"O"
],
"chemical_system": "Li-Mg-O-Si",
"density": 2.5502350589423695,
"density_atomic": 0.09431404137308684,
"volume": 339.2920029098808,
"volume_molar": 6.3852006258301,
"formula_full": "Li8 Mg4 Si4 O16",
"formula_reduced": "Li2MgSiO4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 1.58695520625,
"spacegroup": 14
},
{
"id": "jvasp-119053",
"created_at": "2022-09-04T14:38:33.438428Z",
"updated_at": "2022-09-04T14:38:33.438450Z",
"structure_string": "K4 Hg24\n1.0\n5.434751 0.000000 0.000000\n0.000000 10.710299 0.000000\n-0.000000 -0.000000 14.312466\nK Hg\n4 24\ndirect\n0.250000 0.147308 0.825130 K\n0.250000 0.352692 0.325130 K\n0.750000 0.852692 0.174870 K\n0.750000 0.647308 0.674870 K\n0.250000 0.597584 0.493208 Hg\n0.250000 0.902416 -0.006792 Hg\n0.750000 0.006627 0.638467 Hg\n0.750000 0.493373 0.138467 Hg\n0.250000 -0.006627 0.361533 Hg\n0.250000 0.506627 0.861533 Hg\n0.750000 0.282041 0.706262 Hg\n0.750000 0.217959 0.206262 Hg\n0.250000 0.717959 0.293738 Hg\n0.250000 0.782041 0.793738 Hg\n0.750000 0.917132 0.843755 Hg\n0.250000 0.082868 0.156246 Hg\n0.750000 0.097584 0.006792 Hg\n0.250000 0.417132 0.656246 Hg\n0.750000 0.357284 0.917963 Hg\n0.750000 0.142716 0.417963 Hg\n0.250000 0.642717 0.082037 Hg\n0.250000 0.857284 0.582038 Hg\n0.750000 0.654630 0.944079 Hg\n0.750000 0.845370 0.444079 Hg\n0.250000 0.345370 0.055921 Hg\n0.250000 0.154630 0.555921 Hg\n0.750000 0.582868 0.343754 Hg\n0.750000 0.402416 0.506792 Hg\n",
"nsites": 28,
"nelements": 2,
"elements": [
"K",
"Hg"
],
"chemical_system": "Hg-K",
"density": 9.907363774823796,
"density_atomic": 0.03360952053642045,
"volume": 833.0972758048787,
"volume_molar": 17.917960934534005,
"formula_full": "K4 Hg24",
"formula_reduced": "KHg6",
"formula_anonymous": "AB6",
"energy_above_hull": 0.0,
"spacegroup": 62
},
{
"id": "jvasp-59848",
"created_at": "2022-09-04T14:38:33.432685Z",
"updated_at": "2022-09-04T14:38:33.432699Z",
"structure_string": "Y2 Cr6 Se4 Cl2 O16\n1.0\n6.496835 0.000000 0.000000\n0.000000 7.004044 0.000000\n0.000000 0.000000 9.619688\nY Cr Se Cl O\n2 6 4 2 16\ndirect\n0.000000 0.731547 0.500000 Y\n0.500000 0.268452 0.000000 Y\n0.250000 0.000000 0.250000 Cr\n0.250000 0.000000 0.750000 Cr\n0.749999 0.000000 0.250000 Cr\n0.500000 0.789738 0.000000 Cr\n0.000000 0.210261 0.500000 Cr\n0.749999 0.000000 0.750000 Cr\n0.000000 0.415986 0.816883 Se\n0.500000 0.584014 0.683117 Se\n0.500000 0.584014 0.316883 Se\n0.000000 0.415986 0.183117 Se\n0.000000 0.852002 0.000000 Cl\n0.500000 0.147998 0.500000 Cl\n0.708557 0.738312 0.659250 O\n0.291442 0.738312 0.659250 O\n0.208558 0.261687 0.159250 O\n0.500000 -0.001450 0.863874 O\n0.000000 0.001450 0.636126 O\n0.791442 0.261687 0.159250 O\n0.708557 0.738312 0.340750 O\n0.000000 0.001450 0.363874 O\n0.791442 0.261687 0.840751 O\n0.208558 0.261687 0.840751 O\n0.291442 0.738312 0.340750 O\n0.500000 0.567459 0.865318 O\n0.000000 0.432540 0.365318 O\n0.500000 0.567459 0.134682 O\n0.500000 -0.001450 0.136126 O\n0.000000 0.432540 0.634683 O\n",
"nsites": 30,
"nelements": 5,
"elements": [
"Y",
"Cr",
"Se",
"Cl",
"O"
],
"chemical_system": "Cl-Cr-O-Se-Y",
"density": 4.296205934333293,
"density_atomic": 0.06853454996463215,
"volume": 437.7354198062402,
"volume_molar": 8.787014379036235,
"formula_full": "Y2 Cr6 Se4 Cl2 O16",
"formula_reduced": "YCr3Se2ClO8",
"formula_anonymous": "ABC2D3E8",
"energy_above_hull": 3.156442430055556,
"spacegroup": 59
}
]
}