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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-volume&page=941",
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"results": [
{
"id": "jvasp-119036",
"created_at": "2022-09-04T14:38:50.040421Z",
"updated_at": "2022-09-04T14:38:50.040448Z",
"structure_string": "Tb6 Mn2 B14\n1.0\n8.084872 0.003709 0.000000\n-7.345936 3.376745 0.000000\n0.000000 0.000000 9.323465\nTb Mn B\n6 2 14\ndirect\n0.896034 0.103966 0.439121 Tb\n0.103964 0.896033 0.560879 Tb\n0.896034 0.103966 0.060879 Tb\n0.103964 0.896033 0.939122 Tb\n0.240908 0.759090 0.250000 Tb\n0.759090 0.240909 0.750000 Tb\n0.054257 0.945741 0.250000 Mn\n0.945742 0.054258 0.750000 Mn\n0.477793 0.522206 0.599053 B\n0.522206 0.477793 0.400947 B\n0.477793 0.522206 0.900947 B\n0.522206 0.477793 0.099053 B\n0.370028 0.629970 0.653043 B\n0.629970 0.370029 0.346958 B\n0.727151 0.272848 0.032744 B\n0.629970 0.370029 0.153044 B\n0.272847 0.727151 0.967257 B\n0.461280 0.538719 0.250000 B\n0.272847 0.727151 0.532744 B\n0.727151 0.272848 0.467256 B\n0.370028 0.629970 0.846958 B\n0.538719 0.461280 0.750000 B\n",
"nsites": 22,
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"elements": [
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"B"
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"density": 7.917089288826832,
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"volume": 254.78976051864322,
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"formula_full": "Tb6 Mn2 B14",
"formula_reduced": "Tb3MnB7",
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"energy_above_hull": 4.330409138610241,
"spacegroup": 63
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{
"id": "jvasp-34657",
"created_at": "2022-09-04T14:37:11.584208Z",
"updated_at": "2022-09-04T14:37:11.584231Z",
"structure_string": "Na8 S4\n1.0\n4.293735 0.000000 0.000000\n0.000000 7.107979 0.000000\n0.000000 0.000000 8.348000\nNa S\n8 4\ndirect\n0.250000 0.145399 0.427966 Na\n0.749999 0.476123 0.331076 Na\n0.749999 0.976124 0.168924 Na\n0.749999 0.354601 0.927966 Na\n0.250000 0.523877 0.668924 Na\n0.749999 0.854601 0.572034 Na\n0.250000 0.645399 0.072034 Na\n0.250000 0.023877 0.831076 Na\n0.250000 0.753393 0.386227 S\n0.250000 0.253392 0.113773 S\n0.749999 0.746608 0.886227 S\n0.749999 0.246608 0.613773 S\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Na",
"S"
],
"chemical_system": "Na-S",
"density": 2.034641002890391,
"density_atomic": 0.04709962316051589,
"volume": 254.77910851014465,
"volume_molar": 12.785963784628375,
"formula_full": "Na8 S4",
"formula_reduced": "Na2S",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0102666666666666,
"spacegroup": 62
},
{
"id": "jvasp-11775",
"created_at": "2022-09-04T14:37:14.772978Z",
"updated_at": "2022-09-04T14:37:14.773001Z",
"structure_string": "Na6 Mo2 N2 O6\n1.0\n5.594748 0.000000 0.000000\n0.000000 6.232900 0.000000\n0.000000 0.000000 7.305622\nNa Mo N O\n6 2 2 6\ndirect\n0.514520 0.830530 0.000000 Na\n0.512180 0.329049 0.743889 Na\n0.512180 0.329049 0.256110 Na\n0.012180 0.670951 0.243890 Na\n0.014520 0.169470 0.500000 Na\n0.012180 0.670951 0.756110 Na\n0.502989 0.828184 0.500000 Mo\n0.002988 0.171816 0.000000 Mo\n0.692535 0.174692 0.000000 N\n0.192534 0.825308 0.500000 N\n0.602072 0.687145 0.290926 O\n0.102072 0.312855 0.209074 O\n0.102072 0.312855 0.790926 O\n0.602072 0.687145 0.709074 O\n0.100555 0.889145 0.000000 O\n0.600555 0.110855 0.500000 O\n",
"nsites": 16,
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"elements": [
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"Mo",
"N",
"O"
],
"chemical_system": "Mo-N-Na-O",
"density": 2.9581003031059034,
"density_atomic": 0.06280469286866171,
"volume": 254.7580327071973,
"volume_molar": 9.588679579396413,
"formula_full": "Na6 Mo2 N2 O6",
"formula_reduced": "Na3MoNO3",
"formula_anonymous": "ABC3D3",
"energy_above_hull": 2.14835083125,
"spacegroup": 31
},
{
"id": "jvasp-110273",
"created_at": "2022-09-04T14:37:54.984424Z",
"updated_at": "2022-09-04T14:37:54.984444Z",
"structure_string": "Cd3 P1 I3\n1.0\n4.482305 -0.000000 0.000000\n0.000000 7.369227 0.104456\n0.000000 -0.024778 7.712036\nCd P I\n3 1 3\ndirect\n-0.000000 0.467243 0.695713 Cd\n0.499999 0.503078 0.114198 Cd\n0.499999 0.040150 0.860317 Cd\n0.499999 0.377458 0.815110 P\n-0.000000 0.875586 0.662288 I\n0.499999 0.876997 0.196645 I\n-0.000000 0.351491 0.322397 I\n",
"nsites": 7,
"nelements": 3,
"elements": [
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"I"
],
"chemical_system": "Cd-I-P",
"density": 4.881715436376154,
"density_atomic": 0.02747804777088716,
"volume": 254.74881106424382,
"volume_molar": 21.91618855245031,
"formula_full": "Cd3 P1 I3",
"formula_reduced": "Cd3PI3",
"formula_anonymous": "AB3C3",
"energy_above_hull": 0.0,
"spacegroup": 6
},
{
"id": "jvasp-117214",
"created_at": "2022-09-04T14:38:46.352358Z",
"updated_at": "2022-09-04T14:38:46.352370Z",
"structure_string": "Ho4 Fe2 Mo2 O14\n1.0\n6.209332 0.015311 3.525738\n2.130454 5.822419 3.545130\n0.130453 0.061667 7.150738\nHo Fe Mo O\n4 2 2 14\ndirect\n0.500000 -0.000000 0.000000 Ho\n-0.000000 0.000000 0.500000 Ho\n-0.000000 0.500000 0.000000 Ho\n0.499999 0.500000 0.500001 Ho\n0.500000 0.000000 0.500000 Fe\n-0.000001 0.500000 0.500000 Fe\n0.500000 0.500000 0.000000 Mo\n0.000000 0.000000 0.000000 Mo\n0.173257 0.617855 0.178273 O\n0.823607 0.825828 0.384842 O\n0.384451 0.827452 0.820552 O\n0.826741 0.382146 0.821728 O\n0.608537 0.606919 0.119717 O\n0.117367 0.602563 0.605933 O\n0.394804 0.881142 0.393411 O\n0.391462 0.393082 0.880284 O\n0.882631 0.397437 0.394068 O\n0.615548 0.172549 0.179449 O\n0.886258 0.884533 0.888190 O\n0.113740 0.115468 0.111811 O\n0.605194 0.118858 0.606590 O\n0.176391 0.174172 0.615159 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Ho",
"Fe",
"Mo",
"O"
],
"chemical_system": "Fe-Ho-Mo-O",
"density": 7.739847858727951,
"density_atomic": 0.08636778896464352,
"volume": 254.72459424666022,
"volume_molar": 6.9726698253967,
"formula_full": "Ho4 Fe2 Mo2 O14",
"formula_reduced": "Ho2FeMoO7",
"formula_anonymous": "ABC2D7",
"energy_above_hull": 2.960692457575757,
"spacegroup": 12
},
{
"id": "jvasp-31319",
"created_at": "2022-09-04T14:38:34.888033Z",
"updated_at": "2022-09-04T14:38:34.888058Z",
"structure_string": "Nb4 Ni4 As8\n1.0\n3.543403 0.000000 0.000000\n-0.000000 5.676785 0.000000\n0.000000 0.000000 12.662546\nNb Ni As\n4 4 8\ndirect\n0.749999 0.992048 0.171029 Nb\n0.250000 0.007953 0.828972 Nb\n0.749999 0.492047 0.328972 Nb\n0.250000 0.507954 0.671029 Nb\n0.749999 0.978406 0.411123 Ni\n0.250000 0.021595 0.588877 Ni\n0.749999 0.478405 0.088877 Ni\n0.250000 0.521596 0.911123 Ni\n0.749999 0.851716 0.691078 As\n0.250000 0.148285 0.308923 As\n0.749999 0.351716 0.808923 As\n0.250000 0.648285 0.191077 As\n0.749999 0.801049 0.963252 As\n0.250000 0.198951 0.036748 As\n0.749999 0.301049 0.536749 As\n0.250000 0.698952 0.463252 As\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Nb",
"Ni",
"As"
],
"chemical_system": "As-Nb-Ni",
"density": 7.860863090636291,
"density_atomic": 0.06281682067137181,
"volume": 254.70884755063466,
"volume_molar": 9.586828329795644,
"formula_full": "Nb4 Ni4 As8",
"formula_reduced": "NbNiAs2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.672766325,
"spacegroup": 62
},
{
"id": "jvasp-16793",
"created_at": "2022-09-04T14:38:30.342019Z",
"updated_at": "2022-09-04T14:38:30.342041Z",
"structure_string": "Li1 Ca6 Ge1\n1.0\n6.161762 -0.000000 3.557495\n2.053921 5.809365 3.557495\n-0.000000 -0.000000 7.114989\nLi Ca Ge\n1 6 1\ndirect\n0.500000 0.500000 0.500001 Li\n0.500000 0.500000 0.000001 Ca\n0.500000 0.000000 0.000000 Ca\n0.000000 0.000000 0.500000 Ca\n0.000000 0.500000 0.500001 Ca\n0.000000 0.500000 0.000001 Ca\n0.500000 0.000000 0.500000 Ca\n0.000000 0.000000 0.000000 Ge\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Li",
"Ca",
"Ge"
],
"chemical_system": "Ca-Ge-Li",
"density": 2.0866891391619378,
"density_atomic": 0.03141102949295658,
"volume": 254.68760907037043,
"volume_molar": 19.17205789562029,
"formula_full": "Li1 Ca6 Ge1",
"formula_reduced": "LiCa6Ge",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-102198",
"created_at": "2022-09-04T14:36:35.784795Z",
"updated_at": "2022-09-04T14:36:35.784819Z",
"structure_string": "Li3 Er1 Br6\n1.0\n6.701156 -0.014708 1.146621\n-3.626047 5.635379 1.146621\n0.009561 0.017476 6.760474\nLi Er Br\n3 1 6\ndirect\n0.671886 0.328114 -0.000000 Li\n0.332751 0.667249 -0.000000 Li\n0.838257 0.161744 0.499999 Li\n0.002120 0.997880 -0.000000 Er\n0.423650 0.081348 0.760003 Br\n0.074946 0.408720 0.747642 Br\n0.591280 0.925054 0.252357 Br\n0.918653 0.576351 0.239996 Br\n0.741980 0.750523 0.755807 Br\n0.249478 0.258020 0.244192 Br\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Li",
"Er",
"Br"
],
"chemical_system": "Br-Er-Li",
"density": 4.352375163715536,
"density_atomic": 0.03926648732038488,
"volume": 254.67009356878685,
"volume_molar": 15.336591508336053,
"formula_full": "Li3 Er1 Br6",
"formula_reduced": "Li3ErBr6",
"formula_anonymous": "AB3C6",
"energy_above_hull": 0.1759674630000001,
"spacegroup": 5
},
{
"id": "jvasp-111738",
"created_at": "2022-09-04T14:38:41.676618Z",
"updated_at": "2022-09-04T14:38:41.676641Z",
"structure_string": "Lu4 Be4 Ge2 O14\n1.0\n7.321962 0.000000 -0.000000\n0.000000 7.321962 0.000000\n0.000000 -0.000000 4.750304\nLu Be Ge O\n4 4 2 14\ndirect\n0.157198 0.342802 0.506959 Lu\n0.842801 0.657198 0.506959 Lu\n0.657198 0.157198 0.493040 Lu\n0.342802 0.842801 0.493040 Lu\n0.636347 0.863652 0.947146 Be\n0.363653 0.136347 0.947146 Be\n0.136347 0.636347 0.052853 Be\n0.863652 0.363653 0.052853 Be\n0.000000 0.000000 0.000000 Ge\n0.500000 0.500000 0.000000 Ge\n0.583734 0.670494 0.773725 O\n0.829505 0.916266 0.773725 O\n0.416266 0.329505 0.773725 O\n0.170495 0.083734 0.773725 O\n0.916266 0.170495 0.226274 O\n0.083734 0.829505 0.226274 O\n0.500000 0.000000 0.804333 O\n0.142530 0.642529 0.718052 O\n0.357470 0.142530 0.281947 O\n0.642529 0.857470 0.281947 O\n0.329505 0.583734 0.226274 O\n0.000000 0.500000 0.195667 O\n0.857470 0.357470 0.718052 O\n0.670494 0.416266 0.226274 O\n",
"nsites": 24,
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"elements": [
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"Ge",
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],
"chemical_system": "Be-Ge-Lu-O",
"density": 7.20624531486934,
"density_atomic": 0.09423991742098263,
"volume": 254.66915354762793,
"volume_molar": 6.390222874557786,
"formula_full": "Lu4 Be4 Ge2 O14",
"formula_reduced": "Lu2Be2GeO7",
"formula_anonymous": "AB2C2D7",
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"spacegroup": 113
},
{
"id": "jvasp-64858",
"created_at": "2022-09-04T14:35:42.028051Z",
"updated_at": "2022-09-04T14:35:42.028066Z",
"structure_string": "Ba4 Zr1 Hg1\n1.0\n0.000000 5.030876 5.030876\n5.030876 0.000000 5.030876\n5.030876 5.030876 0.000000\nBa Zr Hg\n4 1 1\ndirect\n0.125324 0.624893 0.624893 Ba\n0.624893 0.624893 0.624893 Ba\n0.624893 0.125324 0.624893 Ba\n0.624893 0.624893 0.125324 Ba\n0.000000 0.000000 0.000000 Zr\n0.250000 0.250000 0.250000 Hg\n",
"nsites": 6,
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"elements": [
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],
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"density": 5.484628991115725,
"density_atomic": 0.023560820769607645,
"volume": 254.66005869115216,
"volume_molar": 25.55997865646633,
"formula_full": "Ba4 Zr1 Hg1",
"formula_reduced": "Ba4ZrHg",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.4246321633333333,
"spacegroup": 216
},
{
"id": "jvasp-107308",
"created_at": "2022-09-04T14:37:00.814445Z",
"updated_at": "2022-09-04T14:37:00.814471Z",
"structure_string": "Na5 Br4 Cl1\n1.0\n4.120071 -0.002870 -14.407379\n-0.083715 4.119222 -14.407379\n0.002815 0.002870 14.984911\nNa Br Cl\n5 4 1\ndirect\n0.800144 0.800143 0.000000 Na\n0.199856 0.199856 0.000000 Na\n0.596188 0.596187 0.000000 Na\n0.000000 0.000000 0.000000 Na\n0.403813 0.403812 0.000000 Na\n0.901450 0.901449 0.000000 Br\n0.301165 0.301165 0.000000 Br\n0.698836 0.698835 0.000000 Br\n0.098551 0.098551 0.000000 Br\n0.500000 0.500000 0.000000 Cl\n",
"nsites": 10,
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"elements": [
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],
"chemical_system": "Br-Cl-Na",
"density": 3.0648807568131016,
"density_atomic": 0.039269026650563844,
"volume": 254.65362533645623,
"volume_molar": 15.33559976820442,
"formula_full": "Na5 Br4 Cl1",
"formula_reduced": "Na5Br4Cl",
"formula_anonymous": "AB4C5",
"energy_above_hull": 0.0,
"spacegroup": 139
},
{
"id": "jvasp-119574",
"created_at": "2022-09-04T14:38:53.123275Z",
"updated_at": "2022-09-04T14:38:53.123301Z",
"structure_string": "Dy3 Ga8 Ir3\n1.0\n7.859456 0.004438 -2.201204\n-0.806571 3.974499 -7.083019\n-0.012994 -0.004438 8.161873\nDy Ga Ir\n3 8 3\ndirect\n0.500000 0.500000 0.000001 Dy\n0.168961 0.168961 0.000000 Dy\n0.831040 0.831040 0.000001 Dy\n0.091236 0.375426 0.715810 Ga\n0.908765 0.624575 0.284191 Ga\n0.659617 0.375426 0.284191 Ga\n0.340384 0.624574 0.715810 Ga\n0.797743 0.169751 0.627993 Ga\n0.202258 0.830250 0.372008 Ga\n0.541759 0.169751 0.372008 Ga\n0.458242 0.830250 0.627992 Ga\n0.000000 0.500000 0.500000 Ir\n0.778683 -0.000000 0.778683 Ir\n0.221318 -0.000000 0.221318 Ir\n",
"nsites": 14,
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"elements": [
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"Ga",
"Ir"
],
"chemical_system": "Dy-Ga-Ir",
"density": 10.577807517853266,
"density_atomic": 0.05498461045442463,
"volume": 254.61669882346897,
"volume_molar": 10.952411429724691,
"formula_full": "Dy3 Ga8 Ir3",
"formula_reduced": "Dy3Ga8Ir3",
"formula_anonymous": "A3B3C8",
"energy_above_hull": 1.2391615285714286,
"spacegroup": 71
}
]
}