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=formula_reduced&page=401",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_reduced&page=399",
"results": [
{
"id": "jvasp-50362",
"created_at": "2022-09-04T14:36:13.362635Z",
"updated_at": "2022-09-04T14:36:13.362657Z",
"structure_string": "Ba2 Na8 O6\n1.0\n5.708496 -0.000947 0.001108\n-2.853723 6.535323 0.023034\n-0.002526 -2.660877 7.797859\nBa Na O\n2 8 6\ndirect\n0.733277 0.026571 0.281915 Ba\n0.291512 0.026471 0.781898 Ba\n0.041504 0.730265 0.048564 Na\n0.687080 0.730307 0.548437 Na\n0.120790 0.634392 0.400748 Na\n0.482601 0.391915 0.162973 Na\n0.512254 0.634657 0.900819 Na\n0.907712 0.391978 0.663009 Na\n0.340622 0.322051 0.517349 Na\n0.979834 0.321915 0.017075 Na\n0.336152 0.654119 0.165475 O\n0.316397 0.654171 0.665468 O\n0.709132 0.397098 0.400421 O\n0.047455 0.046207 0.049102 O\n0.686199 0.397046 0.900384 O\n0.996995 0.046431 0.549213 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Ba",
"Na",
"O"
],
"chemical_system": "Ba-Na-O",
"density": 3.161819300453999,
"density_atomic": 0.05493545061946237,
"volume": 291.25091028800205,
"volume_molar": 10.962212363953004,
"formula_full": "Ba2 Na8 O6",
"formula_reduced": "BaNa4O3",
"formula_anonymous": "AB3C4",
"energy_above_hull": 0.4071706562499999,
"spacegroup": 9
},
{
"id": "jvasp-50365",
"created_at": "2022-09-04T14:35:56.484295Z",
"updated_at": "2022-09-04T14:35:56.484317Z",
"structure_string": "Ba2 Na8 O6\n1.0\n5.855908 -0.000000 1.126889\n-2.927954 8.499937 -0.563444\n-0.952494 -0.000000 5.573895\nBa Na O\n2 8 6\ndirect\n0.163821 0.312122 0.251268 Ba\n0.851700 0.687878 0.751268 Ba\n0.471703 0.985886 0.778398 Na\n-0.000968 0.083327 0.731210 Na\n0.312963 0.614722 0.777644 Na\n0.339502 0.689558 0.279032 Na\n0.649944 0.310442 0.779032 Na\n0.485815 0.014114 0.278397 Na\n0.915706 0.916673 0.231211 Na\n0.698240 0.385278 0.277644 Na\n0.186451 0.831662 0.025470 O\n0.011856 0.493715 0.520393 O\n0.354790 0.168338 0.525470 O\n0.638399 0.848070 0.529278 O\n0.518140 0.506285 0.020393 O\n0.790326 0.151931 0.029277 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Ba",
"Na",
"O"
],
"chemical_system": "Ba-Na-O",
"density": 3.2135411852887312,
"density_atomic": 0.05583409939735931,
"volume": 286.56323237402705,
"volume_molar": 10.785775762481125,
"formula_full": "Ba2 Na8 O6",
"formula_reduced": "BaNa4O3",
"formula_anonymous": "AB3C4",
"energy_above_hull": 0.4111269062499999,
"spacegroup": 9
},
{
"id": "jvasp-50103",
"created_at": "2022-09-04T14:37:27.511658Z",
"updated_at": "2022-09-04T14:37:27.511679Z",
"structure_string": "Ba2 Na12 O8\n1.0\n8.091225 0.000000 0.000000\n0.000000 8.091225 -0.000000\n0.000000 -0.000000 5.662559\nBa Na O\n2 12 8\ndirect\n0.500000 0.500000 0.000000 Ba\n0.000000 0.000000 0.500000 Ba\n0.786425 0.786425 0.000000 Na\n0.786425 0.213576 0.000000 Na\n0.000000 0.500000 0.483016 Na\n0.213576 0.786425 0.000000 Na\n0.213576 0.213576 0.000000 Na\n0.000000 0.500000 0.983016 Na\n0.286425 0.713576 0.500000 Na\n0.500000 0.000000 0.016984 Na\n0.500000 0.000000 0.516984 Na\n0.713576 0.286425 0.500000 Na\n0.713576 0.713576 0.500000 Na\n0.286425 0.286425 0.500000 Na\n0.000000 0.730564 0.734884 O\n0.730564 0.000000 0.265116 O\n0.500000 0.230564 0.765116 O\n0.500000 0.769437 0.765116 O\n0.269437 0.000000 0.265116 O\n0.230564 0.500000 0.234884 O\n0.000000 0.269437 0.734884 O\n0.769437 0.500000 0.234884 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Ba",
"Na",
"O"
],
"chemical_system": "Ba-Na-O",
"density": 3.0393070040909302,
"density_atomic": 0.05934462425359546,
"volume": 370.71597093593704,
"volume_molar": 10.147744358892192,
"formula_full": "Ba2 Na12 O8",
"formula_reduced": "BaNa6O4",
"formula_anonymous": "AB4C6",
"energy_above_hull": 0.4270033409090907,
"spacegroup": 137
},
{
"id": "jvasp-117456",
"created_at": "2022-09-04T14:38:34.826087Z",
"updated_at": "2022-09-04T14:38:34.826099Z",
"structure_string": "Ba1 Na1 B1\n1.0\n3.482923 0.000000 0.000000\n0.000000 3.482923 0.000000\n0.000000 -0.000000 9.082572\nBa Na B\n1 1 1\ndirect\n0.000000 0.000000 0.547041 Ba\n0.000000 0.000000 -0.041338 Na\n0.000000 0.000000 0.243445 B\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"Na",
"B"
],
"chemical_system": "B-Ba-Na",
"density": 2.5791285611975083,
"density_atomic": 0.027228559054530477,
"volume": 110.17843412102408,
"volume_molar": 22.11700129977313,
"formula_full": "Ba1 Na1 B1",
"formula_reduced": "BaNaB",
"formula_anonymous": "ABC",
"energy_above_hull": 1.5451658511111113,
"spacegroup": 99
},
{
"id": "jvasp-117457",
"created_at": "2022-09-04T14:38:51.814756Z",
"updated_at": "2022-09-04T14:38:51.814773Z",
"structure_string": "Ba1 Na1 B1\n1.0\n5.167594 1.976021 0.000000\n3.252773 6.944914 0.000000\n0.000000 0.000000 3.764153\nBa Na B\n1 1 1\ndirect\n-0.075952 -0.044895 0.000000 Ba\n-0.076037 0.455158 0.000000 Na\n0.424016 -0.044837 0.000000 B\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"Na",
"B"
],
"chemical_system": "B-Ba-Na",
"density": 2.5624511746692713,
"density_atomic": 0.027052491366090593,
"volume": 110.89551640187939,
"volume_molar": 22.26094698083355,
"formula_full": "Ba1 Na1 B1",
"formula_reduced": "BaNaB",
"formula_anonymous": "ABC",
"energy_above_hull": 1.3994191844444446,
"spacegroup": 47
},
{
"id": "jvasp-62567",
"created_at": "2022-09-04T14:36:04.361994Z",
"updated_at": "2022-09-04T14:36:04.362021Z",
"structure_string": "Ba2 Na2 B18 O30\n1.0\n6.671540 -5.568724 0.012251\n6.671540 5.568724 0.012251\n2.007831 -0.000000 8.455111\nBa Na B O\n2 2 18 30\ndirect\n0.501974 0.501974 0.501974 Ba\n0.001974 0.001974 0.001974 Ba\n0.719523 0.719523 0.719523 Na\n0.219523 0.219523 0.219523 Na\n0.442573 0.932283 0.789218 B\n0.716185 0.839642 0.283346 B\n0.283346 0.716184 0.839642 B\n0.216185 0.783346 0.339642 B\n0.783346 0.339642 0.216184 B\n0.339642 0.216185 0.783346 B\n0.127404 0.276601 0.615185 B\n0.839642 0.283347 0.716184 B\n0.276601 0.615185 0.127404 B\n0.115186 0.776600 0.627404 B\n0.776601 0.627404 0.115185 B\n0.627404 0.115186 0.776601 B\n0.942573 0.289219 0.432283 B\n0.432283 0.942573 0.289218 B\n0.289219 0.432283 0.942573 B\n0.932283 0.789219 0.442573 B\n0.789219 0.442573 0.932283 B\n0.615185 0.127404 0.276601 B\n0.793340 0.774143 0.137600 O\n0.774142 0.137600 0.793340 O\n0.508157 0.237800 0.749969 O\n0.749969 0.508157 0.237800 O\n0.237800 0.749969 0.508157 O\n0.249969 0.737800 0.008157 O\n0.284155 0.928418 0.266968 O\n0.008157 0.249969 0.737800 O\n0.266968 0.284155 0.928418 O\n0.928418 0.266969 0.284155 O\n0.428418 0.784155 0.766968 O\n0.137600 0.793339 0.774142 O\n0.737800 0.008158 0.249969 O\n0.293340 0.637600 0.274142 O\n0.284977 0.461076 0.097130 O\n0.274143 0.293340 0.637600 O\n0.817327 0.314447 0.548759 O\n0.548760 0.817327 0.314447 O\n0.314447 0.548760 0.817327 O\n0.048760 0.814447 0.317327 O\n0.814447 0.317327 0.048760 O\n0.317327 0.048760 0.814447 O\n0.097130 0.284977 0.461076 O\n0.461076 0.097130 0.284977 O\n0.784155 0.766968 0.428418 O\n0.961076 0.784977 0.597130 O\n0.784977 0.597130 0.961076 O\n0.597130 0.961076 0.784977 O\n0.637600 0.274143 0.293340 O\n0.766968 0.428418 0.784155 O\n",
"nsites": 52,
"nelements": 4,
"elements": [
"Ba",
"Na",
"B",
"O"
],
"chemical_system": "B-Ba-Na-O",
"density": 2.631623152809624,
"density_atomic": 0.08280597390776179,
"volume": 627.974016197469,
"volume_molar": 7.272592152237843,
"formula_full": "Ba2 Na2 B18 O30",
"formula_reduced": "BaNa(B3O5)3",
"formula_anonymous": "ABC9D15",
"energy_above_hull": 3.613831566153846,
"spacegroup": 161
},
{
"id": "jvasp-66614",
"created_at": "2022-09-04T14:36:01.210493Z",
"updated_at": "2022-09-04T14:36:01.210510Z",
"structure_string": "Ba1 Na1 Bi1\n1.0\n0.000000 4.016016 4.016016\n4.016016 -0.000000 4.016016\n4.016016 4.016016 0.000000\nBa Na Bi\n1 1 1\ndirect\n0.750001 0.750001 0.750001 Ba\n0.500001 0.500001 0.500001 Na\n0.000000 0.000000 0.000000 Bi\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"Na",
"Bi"
],
"chemical_system": "Ba-Bi-Na",
"density": 4.733787705279972,
"density_atomic": 0.023158208297061698,
"volume": 129.54370051074454,
"volume_molar": 26.004346634899587,
"formula_full": "Ba1 Na1 Bi1",
"formula_reduced": "BaNaBi",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0015638833333333,
"spacegroup": 216
},
{
"id": "jvasp-9995",
"created_at": "2022-09-04T14:36:51.612018Z",
"updated_at": "2022-09-04T14:36:51.612037Z",
"structure_string": "Ba2 Na2 B2 O6\n1.0\n5.528362 0.002760 0.755211\n2.684356 4.832911 0.755211\n0.013624 0.008022 6.169039\nBa Na B O\n2 2 2 6\ndirect\n0.833867 0.833866 0.242816 Ba\n0.166133 0.166133 0.757184 Ba\n0.500000 0.500000 0.500000 Na\n0.500000 0.500000 -0.000000 Na\n0.832006 0.832006 0.751375 B\n0.167994 0.167994 0.248625 B\n0.888635 0.316331 0.210560 O\n0.683668 0.111364 0.789440 O\n0.111365 0.683668 0.789440 O\n0.316332 0.888635 0.210560 O\n0.701687 0.701687 0.680635 O\n0.298313 0.298313 0.319365 O\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Ba",
"Na",
"B",
"O"
],
"chemical_system": "B-Ba-Na-O",
"density": 4.418216895035157,
"density_atomic": 0.07285432433243373,
"volume": 164.71225435080683,
"volume_molar": 8.266003171645679,
"formula_full": "Ba2 Na2 B2 O6",
"formula_reduced": "BaNaBO3",
"formula_anonymous": "ABCD3",
"energy_above_hull": 1.5351596755555552,
"spacegroup": 12
},
{
"id": "jvasp-63938",
"created_at": "2022-09-04T14:36:06.429775Z",
"updated_at": "2022-09-04T14:36:06.429804Z",
"structure_string": "Ba1 Na1 Br1\n1.0\n0.000000 4.090724 4.090724\n4.090724 -0.000000 4.090724\n4.090724 4.090724 -0.000000\nBa Na Br\n1 1 1\ndirect\n0.749999 0.749999 0.749999 Ba\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Br\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"Na",
"Br"
],
"chemical_system": "Ba-Br-Na",
"density": 2.9135945691242378,
"density_atomic": 0.021912439134415124,
"volume": 136.90853773043804,
"volume_molar": 27.482749515282293,
"formula_full": "Ba1 Na1 Br1",
"formula_reduced": "BaNaBr",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0,
"spacegroup": 216
},
{
"id": "jvasp-64056",
"created_at": "2022-09-04T14:35:53.435865Z",
"updated_at": "2022-09-04T14:35:53.435889Z",
"structure_string": "Ba1 Na1 Cd1\n1.0\n0.000000 4.091036 4.091036\n4.091036 0.000000 4.091036\n4.091036 4.091036 0.000000\nBa Na Cd\n1 1 1\ndirect\n0.750001 0.750001 0.750001 Ba\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Cd\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"Na",
"Cd"
],
"chemical_system": "Ba-Cd-Na",
"density": 3.3071093755848957,
"density_atomic": 0.02190742610620284,
"volume": 136.9398662105077,
"volume_molar": 27.48903833250817,
"formula_full": "Ba1 Na1 Cd1",
"formula_reduced": "BaNaCd",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0,
"spacegroup": 216
},
{
"id": "jvasp-66565",
"created_at": "2022-09-04T14:36:22.172984Z",
"updated_at": "2022-09-04T14:36:22.173007Z",
"structure_string": "Ba1 Na1 Cl1\n1.0\n0.000000 4.005112 4.005112\n4.005112 -0.000000 4.005112\n4.005112 4.005112 0.000000\nBa Na Cl\n1 1 1\ndirect\n0.750000 0.750000 0.750000 Ba\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Cl\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"Na",
"Cl"
],
"chemical_system": "Ba-Cl-Na",
"density": 2.5300012447891405,
"density_atomic": 0.02334786981727907,
"volume": 128.49137944823508,
"volume_molar": 25.793105782794765,
"formula_full": "Ba1 Na1 Cl1",
"formula_reduced": "BaNaCl",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0,
"spacegroup": 216
},
{
"id": "jvasp-66326",
"created_at": "2022-09-04T14:35:45.477660Z",
"updated_at": "2022-09-04T14:35:45.477689Z",
"structure_string": "Ba1 Na1 Cr1\n1.0\n0.000000 4.071293 4.071293\n4.071293 0.000000 4.071293\n4.071293 4.071293 0.000000\nBa Na Cr\n1 1 1\ndirect\n0.749999 0.749999 0.749999 Ba\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Cr\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"Na",
"Cr"
],
"chemical_system": "Ba-Cr-Na",
"density": 2.6121514052539534,
"density_atomic": 0.0222276824400524,
"volume": 134.96683732507597,
"volume_molar": 27.092976410120976,
"formula_full": "Ba1 Na1 Cr1",
"formula_reduced": "BaNaCr",
"formula_anonymous": "ABC",
"energy_above_hull": 1.4701907899999995,
"spacegroup": 216
}
]
}