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=energy_above_hull&page=4348",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=energy_above_hull&page=4346",
"results": [
{
"id": "jvasp-63844",
"created_at": "2022-09-04T14:35:48.936910Z",
"updated_at": "2022-09-04T14:35:48.936936Z",
"structure_string": "U1 B2\n1.0\n1.547419 -2.680077 0.000000\n1.547419 2.680077 0.000000\n0.000000 0.000000 4.041248\nU B\n1 2\ndirect\n0.000000 0.000000 0.000000 U\n0.333333 0.666667 0.500000 B\n0.666667 0.333333 0.500000 B\n",
"nsites": 3,
"nelements": 2,
"elements": [
"U",
"B"
],
"chemical_system": "B-U",
"density": 12.862880986675576,
"density_atomic": 0.08949948980458869,
"volume": 33.519744152174916,
"volume_molar": 6.728687250786141,
"formula_full": "U1 B2",
"formula_reduced": "UB2",
"formula_anonymous": "AB2",
"energy_above_hull": 4.2216003888888896,
"spacegroup": 191
},
{
"id": "jvasp-28654",
"created_at": "2022-09-04T14:37:13.597680Z",
"updated_at": "2022-09-04T14:37:13.597697Z",
"structure_string": "Te2 Mo1 W3 Se2 S4\n1.0\n3.323075 0.000000 0.000000\n-1.661537 2.877807 0.001377\n0.000000 0.020318 36.708464\nTe Mo W Se S\n2 1 3 2 4\ndirect\n0.333076 0.666154 0.709695 Te\n0.333648 0.667299 0.605358 Te\n0.333302 0.666606 0.093938 Mo\n0.333275 0.666551 0.469546 W\n0.666713 0.333423 0.281798 W\n0.666695 0.333387 0.657763 W\n0.333122 0.666245 0.327638 Se\n0.333613 0.667226 0.235891 Se\n0.666887 0.333770 0.052660 S\n0.666844 0.333685 0.427654 S\n0.666441 0.332879 0.135531 S\n0.666394 0.332785 0.511277 S\n",
"nsites": 12,
"nelements": 5,
"elements": [
"Te",
"Mo",
"W",
"Se",
"S"
],
"chemical_system": "Mo-S-Se-Te-W",
"density": 5.62347282902981,
"density_atomic": 0.03418324916539423,
"volume": 351.0491335080085,
"volume_molar": 17.61722746384383,
"formula_full": "Te2 Mo1 W3 Se2 S4",
"formula_reduced": "Te2MoW3(SeS2)2",
"formula_anonymous": "AB2C2D3E4",
"energy_above_hull": 4.2217198472222215,
"spacegroup": 156
},
{
"id": "jvasp-19735",
"created_at": "2022-09-04T14:37:55.121156Z",
"updated_at": "2022-09-04T14:37:55.121183Z",
"structure_string": "U1 B2\n1.0\n1.547880 -2.681007 -0.000000\n1.547880 2.681007 0.000000\n-0.000000 0.000000 4.040250\nU B\n1 2\ndirect\n0.000000 0.000000 0.000000 U\n0.333333 0.666667 0.500000 B\n0.666667 0.333333 0.500000 B\n",
"nsites": 3,
"nelements": 2,
"elements": [
"U",
"B"
],
"chemical_system": "B-U",
"density": 12.857764739898276,
"density_atomic": 0.0894638911329725,
"volume": 33.533082029050384,
"volume_molar": 6.731364669852261,
"formula_full": "U1 B2",
"formula_reduced": "UB2",
"formula_anonymous": "AB2",
"energy_above_hull": 4.221760388888889,
"spacegroup": 191
},
{
"id": "jvasp-36691",
"created_at": "2022-09-04T14:37:47.905466Z",
"updated_at": "2022-09-04T14:37:47.905491Z",
"structure_string": "Sr4 Tc4 N12\n1.0\n-3.158071 5.084770 -1.184450\n0.043059 -0.023306 -7.522094\n-5.544509 -5.074311 0.306730\nSr Tc N\n4 4 12\ndirect\n0.750000 0.328360 0.328360 Sr\n0.250000 0.092045 0.092045 Sr\n0.250000 0.671640 0.671640 Sr\n0.750000 0.907954 0.907955 Sr\n0.741982 0.799622 0.376518 Tc\n0.758018 0.376518 0.799623 Tc\n0.241982 0.623481 0.200377 Tc\n0.258018 0.200377 0.623482 Tc\n0.835664 0.869528 0.593103 N\n0.490829 0.679799 0.371998 N\n-0.009171 0.628002 0.320200 N\n0.166539 0.766038 0.012357 N\n0.509170 0.320200 0.628002 N\n0.666539 0.987642 0.233961 N\n0.664335 0.593103 0.869529 N\n0.333461 0.012357 0.766039 N\n0.335664 0.406897 0.130472 N\n0.009171 0.371998 0.679800 N\n0.833461 0.233961 0.987643 N\n0.164336 0.130471 0.406897 N\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Sr",
"Tc",
"N"
],
"chemical_system": "N-Sr-Tc",
"density": 4.5409296023627865,
"density_atomic": 0.060064367517255884,
"volume": 332.9761192316593,
"volume_molar": 10.026145298657976,
"formula_full": "Sr4 Tc4 N12",
"formula_reduced": "SrTcN3",
"formula_anonymous": "ABC3",
"energy_above_hull": 4.221865511999999,
"spacegroup": 15
},
{
"id": "jvasp-63760",
"created_at": "2022-09-04T14:36:14.866556Z",
"updated_at": "2022-09-04T14:36:14.866583Z",
"structure_string": "U2 B2 N2\n1.0\n1.790922 -5.907622 0.000000\n1.790922 5.907622 -0.000000\n0.000000 0.000000 3.261717\nU B N\n2 2 2\ndirect\n0.137281 0.862718 0.250000 U\n0.862718 0.137281 0.750001 U\n0.466352 0.533647 0.250000 B\n0.533647 0.466352 0.750001 B\n0.338120 0.661879 0.250000 N\n0.661879 0.338120 0.750001 N\n",
"nsites": 6,
"nelements": 3,
"elements": [
"U",
"B",
"N"
],
"chemical_system": "B-N-U",
"density": 12.64782447591832,
"density_atomic": 0.08693318813745594,
"volume": 69.01852018256818,
"volume_molar": 6.927320726438775,
"formula_full": "U2 B2 N2",
"formula_reduced": "UBN",
"formula_anonymous": "ABC",
"energy_above_hull": 4.22194061111111,
"spacegroup": 63
},
{
"id": "jvasp-86504",
"created_at": "2022-09-04T14:37:40.445429Z",
"updated_at": "2022-09-04T14:37:40.445450Z",
"structure_string": "U2 B2 N2\n1.0\n3.289706 -0.000000 -0.000000\n0.000000 3.452281 -1.046458\n0.000000 -0.010241 6.184008\nU B N\n2 2 2\ndirect\n0.750001 0.137719 0.275435 U\n0.250000 0.862281 0.724565 U\n0.750001 0.465927 0.931854 B\n0.250000 0.534073 0.068146 B\n0.750001 0.337955 0.675908 N\n0.250000 0.662046 0.324092 N\n",
"nsites": 6,
"nelements": 3,
"elements": [
"U",
"B",
"N"
],
"chemical_system": "B-N-U",
"density": 12.435586371296399,
"density_atomic": 0.08547439693473452,
"volume": 70.19645900024783,
"volume_molar": 7.045549282551022,
"formula_full": "U2 B2 N2",
"formula_reduced": "UBN",
"formula_anonymous": "ABC",
"energy_above_hull": 4.221983944444444,
"spacegroup": 63
},
{
"id": "jvasp-28983",
"created_at": "2022-09-04T14:37:37.283466Z",
"updated_at": "2022-09-04T14:37:37.283491Z",
"structure_string": "Te2 Mo1 W3 Se2 S4\n1.0\n3.321124 0.000005 0.000001\n-1.660557 2.876157 0.000051\n0.000013 0.000704 38.914866\nTe Mo W Se S\n2 1 3 2 4\ndirect\n0.666677 0.333355 0.419065 Te\n0.666666 0.333338 0.517943 Te\n0.666669 0.333340 0.281299 Mo\n0.333317 0.666622 0.093947 W\n0.333336 0.666672 0.468576 W\n0.666643 0.333291 0.659124 W\n0.333310 0.666623 0.702014 Se\n0.333324 0.666651 0.615919 Se\n0.333378 0.666759 0.320579 S\n0.666643 0.333297 0.054747 S\n0.666636 0.333278 0.133353 S\n0.333390 0.666783 0.242183 S\n",
"nsites": 12,
"nelements": 5,
"elements": [
"Te",
"Mo",
"W",
"Se",
"S"
],
"chemical_system": "Mo-S-Se-Te-W",
"density": 5.310787320396054,
"density_atomic": 0.03228253638932135,
"volume": 371.71800428820853,
"volume_molar": 18.654484540415627,
"formula_full": "Te2 Mo1 W3 Se2 S4",
"formula_reduced": "Te2MoW3(SeS2)2",
"formula_anonymous": "AB2C2D3E4",
"energy_above_hull": 4.2222348472222215,
"spacegroup": 156
},
{
"id": "jvasp-75617",
"created_at": "2022-09-04T14:35:48.610018Z",
"updated_at": "2022-09-04T14:35:48.610046Z",
"structure_string": "Nb2 Fe1 As1\n1.0\n0.000000 3.148855 3.148855\n3.148855 0.000000 3.148855\n3.148855 3.148855 0.000000\nNb Fe As\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Nb\n0.250000 0.250000 0.250000 Nb\n0.750001 0.750001 0.750001 Fe\n0.500001 0.500001 0.500001 As\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Nb",
"Fe",
"As"
],
"chemical_system": "As-Fe-Nb",
"density": 8.418674361210002,
"density_atomic": 0.06405779837741792,
"volume": 62.443607200370266,
"volume_molar": 9.401104803069483,
"formula_full": "Nb2 Fe1 As1",
"formula_reduced": "Nb2FeAs",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.2223265125,
"spacegroup": 216
},
{
"id": "jvasp-28991",
"created_at": "2022-09-04T14:37:39.963136Z",
"updated_at": "2022-09-04T14:37:39.963149Z",
"structure_string": "Te2 Mo1 W3 Se2 S4\n1.0\n3.320941 -0.000000 -0.000000\n-1.660471 2.876254 0.000121\n-0.000000 0.001615 38.755253\nTe Mo W Se S\n2 1 3 2 4\ndirect\n0.333269 0.666537 0.708422 Te\n0.333265 0.666531 0.609665 Te\n0.666818 0.333637 0.281782 Mo\n0.333272 0.666545 0.093901 W\n0.333312 0.666625 0.468094 W\n0.666671 0.333342 0.659197 W\n0.666743 0.333486 0.424547 Se\n0.666745 0.333488 0.511429 Se\n0.333297 0.666596 0.321056 S\n0.666648 0.333296 0.054651 S\n0.666648 0.333296 0.133531 S\n0.333303 0.666607 0.242475 S\n",
"nsites": 12,
"nelements": 5,
"elements": [
"Te",
"Mo",
"W",
"Se",
"S"
],
"chemical_system": "Mo-S-Se-Te-W",
"density": 5.332778375810166,
"density_atomic": 0.03241621281125585,
"volume": 370.18513143007414,
"volume_molar": 18.57755807275839,
"formula_full": "Te2 Mo1 W3 Se2 S4",
"formula_reduced": "Te2MoW3(SeS2)2",
"formula_anonymous": "AB2C2D3E4",
"energy_above_hull": 4.222567347222222,
"spacegroup": 156
},
{
"id": "jvasp-65146",
"created_at": "2022-09-04T14:35:42.366238Z",
"updated_at": "2022-09-04T14:35:42.366261Z",
"structure_string": "Hf4 Be1 Zn1\n1.0\n0.000000 3.963589 3.963589\n3.963589 -0.000000 3.963589\n3.963589 3.963589 0.000000\nHf Be Zn\n4 1 1\ndirect\n0.124367 0.625211 0.625211 Hf\n0.625211 0.625211 0.625211 Hf\n0.625211 0.124367 0.625211 Hf\n0.625211 0.625211 0.124367 Hf\n0.000000 0.000000 0.000000 Be\n0.250000 0.250000 0.250000 Zn\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Hf",
"Be",
"Zn"
],
"chemical_system": "Be-Hf-Zn",
"density": 10.512100588052878,
"density_atomic": 0.04817873705646884,
"volume": 124.5362657175422,
"volume_molar": 12.499582031263358,
"formula_full": "Hf4 Be1 Zn1",
"formula_reduced": "Hf4BeZn",
"formula_anonymous": "ABC4",
"energy_above_hull": 4.222706416666667,
"spacegroup": 216
},
{
"id": "jvasp-112106",
"created_at": "2022-09-04T14:38:44.146051Z",
"updated_at": "2022-09-04T14:38:44.146071Z",
"structure_string": "Sn1 H10 C6 O6\n1.0\n4.630112 0.072551 -0.797973\n-1.251454 6.412514 -0.928916\n0.157777 0.161288 7.084569\nSn H C O\n1 10 6 6\ndirect\n0.174252 0.698058 0.270444 Sn\n0.967608 0.098589 0.035589 H\n0.919428 0.912992 0.827751 H\n0.380870 0.297536 0.505284 H\n0.429063 0.483119 0.713132 H\n0.927685 0.381307 0.822189 H\n0.866065 0.197479 0.611832 H\n0.419618 0.453996 0.096865 H\n0.482404 0.198626 0.929021 H\n0.928857 0.942093 0.444022 H\n0.420804 0.014788 0.718673 H\n0.799326 0.994123 0.926588 C\n0.549159 0.401993 0.614287 C\n0.755630 0.276704 0.717982 C\n0.651541 0.838944 0.033944 C\n0.696948 0.557179 0.506939 C\n0.592850 0.119398 0.822880 C\n0.939220 0.526717 0.456802 O\n0.115096 0.970314 0.397192 O\n0.233384 0.425796 0.143702 O\n0.409260 0.869402 0.084069 O\n0.766040 0.679090 0.073204 O\n0.582456 0.717045 0.467697 O\n",
"nsites": 23,
"nelements": 4,
"elements": [
"Sn",
"H",
"C",
"O"
],
"chemical_system": "C-H-O-Sn",
"density": 2.318145628461342,
"density_atomic": 0.10816391560610943,
"volume": 212.64023099678624,
"volume_molar": 5.567606096963312,
"formula_full": "Sn1 H10 C6 O6",
"formula_reduced": "SnH10(CO)6",
"formula_anonymous": "AB6C6D10",
"energy_above_hull": 4.222874899999999,
"spacegroup": 2
},
{
"id": "jvasp-37415",
"created_at": "2022-09-04T14:38:03.082283Z",
"updated_at": "2022-09-04T14:38:03.082303Z",
"structure_string": "Ta1 Zn1 Os2\n1.0\n0.000000 3.123158 3.123158\n3.123158 0.000000 3.123158\n3.123158 3.123158 0.000000\nTa Zn Os\n1 1 2\ndirect\n0.250000 0.250000 0.250000 Ta\n0.750001 0.750001 0.750001 Zn\n0.000000 0.000000 0.000000 Os\n0.500000 0.500000 0.500000 Os\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ta",
"Zn",
"Os"
],
"chemical_system": "Os-Ta-Zn",
"density": 17.083541939465913,
"density_atomic": 0.06565202537262883,
"volume": 60.927290168075324,
"volume_molar": 9.172817937937841,
"formula_full": "Ta1 Zn1 Os2",
"formula_reduced": "TaZnOs2",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.2231899,
"spacegroup": 225
}
]
}