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=298",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-energy_above_hull&page=296",
"results": [
{
"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-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-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-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-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-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-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-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-100371",
"created_at": "2022-09-04T14:36:45.921829Z",
"updated_at": "2022-09-04T14:36:45.921855Z",
"structure_string": "Mo2 As1 P3\n1.0\n5.941487 -0.008567 0.080822\n5.082486 3.077283 0.080822\n-0.001946 -0.000542 5.122938\nMo As P\n2 1 3\ndirect\n0.091295 0.091295 0.498481 Mo\n0.909648 0.909644 0.008091 Mo\n0.296844 0.296844 0.700985 As\n0.698990 0.698987 0.196313 P\n0.434696 0.434694 0.373274 P\n0.568531 0.568530 0.880854 P\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Mo",
"As",
"P"
],
"chemical_system": "As-Mo-P",
"density": 6.362093325854882,
"density_atomic": 0.06390489408526809,
"volume": 93.8895226395997,
"volume_molar": 9.42359868708127,
"formula_full": "Mo2 As1 P3",
"formula_reduced": "Mo2AsP3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 4.221570008333333,
"spacegroup": 8
},
{
"id": "jvasp-14903",
"created_at": "2022-09-04T14:36:50.954218Z",
"updated_at": "2022-09-04T14:36:50.954246Z",
"structure_string": "Al1 Cr2 B2\n1.0\n2.826180 0.000000 -0.749818\n0.000000 2.945225 0.000000\n0.001697 0.000000 5.707455\nAl Cr B\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Al\n0.352476 0.500001 0.704951 Cr\n0.647525 0.500001 0.295049 Cr\n0.206160 0.000000 0.412321 B\n0.793841 0.000000 0.587679 B\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Al",
"Cr",
"B"
],
"chemical_system": "Al-B-Cr",
"density": 5.333305385166088,
"density_atomic": 0.10523857366956466,
"volume": 47.51109622313341,
"volume_molar": 5.722370182352275,
"formula_full": "Al1 Cr2 B2",
"formula_reduced": "Al(CrB)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 4.220926553333333,
"spacegroup": 65
},
{
"id": "jvasp-26732",
"created_at": "2022-09-04T14:38:02.683105Z",
"updated_at": "2022-09-04T14:38:02.683115Z",
"structure_string": "Ba2 Nb20 Si2 O38\n1.0\n3.930018 -6.806990 -0.000000\n3.930018 6.806990 -0.000000\n-0.000000 0.000000 14.628856\nBa Nb Si O\n2 20 2 38\ndirect\n0.666667 0.333333 0.592211 Ba\n0.333333 0.666667 0.092211 Ba\n0.689018 0.553030 0.001193 Nb\n0.180692 0.952397 0.673243 Nb\n0.047603 0.228295 0.673243 Nb\n0.446971 0.135988 0.001193 Nb\n0.523716 0.636398 0.338923 Nb\n0.333333 0.666667 0.832774 Nb\n0.864013 0.310982 0.001193 Nb\n0.952397 0.771705 0.173243 Nb\n0.636398 0.112682 0.838923 Nb\n0.228295 0.180692 0.173243 Nb\n0.112682 0.476284 0.338923 Nb\n0.887318 0.523716 0.838923 Nb\n0.666667 0.333333 0.332773 Nb\n0.363602 0.887318 0.338923 Nb\n0.135988 0.689018 0.501193 Nb\n0.553030 0.864013 0.501193 Nb\n0.476284 0.363602 0.838923 Nb\n0.310982 0.446971 0.501193 Nb\n0.819308 0.047603 0.173243 Nb\n0.771705 0.819308 0.673243 Nb\n0.000000 0.000000 0.890228 Si\n0.000000 0.000000 0.390228 Si\n0.000000 0.000000 0.775990 O\n0.906485 0.543875 0.082394 O\n0.257473 0.205005 0.596695 O\n0.843367 0.267416 0.261126 O\n0.424049 0.156633 0.261126 O\n0.947532 0.742527 0.596695 O\n0.205005 0.947532 0.096695 O\n0.093515 0.456126 0.582394 O\n0.496390 0.596619 0.920630 O\n0.134634 0.699819 0.252732 O\n0.267416 0.424049 0.761126 O\n0.847911 0.075470 0.919897 O\n0.575951 0.843367 0.761126 O\n0.052469 0.257473 0.096695 O\n0.075470 0.227559 0.419897 O\n0.637390 0.093515 0.082394 O\n0.732584 0.575951 0.261126 O\n0.503611 0.403382 0.420630 O\n0.362611 0.906485 0.582394 O\n0.565185 0.865366 0.252732 O\n0.000000 0.000000 0.275990 O\n0.227559 0.152089 0.919897 O\n0.699819 0.565185 0.752732 O\n0.152089 0.924530 0.419897 O\n0.300181 0.434815 0.252732 O\n0.434815 0.134634 0.752732 O\n0.772441 0.847911 0.419897 O\n0.865366 0.300181 0.752732 O\n0.899771 0.496390 0.420630 O\n0.403382 0.899771 0.920630 O\n0.100229 0.503611 0.920630 O\n0.456126 0.362611 0.082394 O\n0.794996 0.052469 0.596695 O\n0.156633 0.732584 0.761126 O\n0.742527 0.794996 0.096695 O\n0.543875 0.637390 0.582394 O\n0.924530 0.772441 0.919897 O\n0.596619 0.100229 0.420630 O\n",
"nsites": 62,
"nelements": 4,
"elements": [
"Ba",
"Nb",
"Si",
"O"
],
"chemical_system": "Ba-Nb-O-Si",
"density": 5.933905844833294,
"density_atomic": 0.07921395125914009,
"volume": 782.6904101421925,
"volume_molar": 7.602373905449056,
"formula_full": "Ba2 Nb20 Si2 O38",
"formula_reduced": "BaNb10SiO19",
"formula_anonymous": "ABC10D19",
"energy_above_hull": 4.220210163548387,
"spacegroup": 173
},
{
"id": "jvasp-28842",
"created_at": "2022-09-04T14:37:03.728948Z",
"updated_at": "2022-09-04T14:37:03.728974Z",
"structure_string": "Te2 Mo1 W3 Se2 S4\n1.0\n3.309535 0.000000 0.000000\n-1.654768 2.866157 0.000161\n0.000000 0.002100 40.723856\nTe Mo W Se S\n2 1 3 2 4\ndirect\n0.666693 0.333384 0.421081 Te\n0.666622 0.333241 0.515179 Te\n0.333323 0.666646 0.468147 Mo\n0.333389 0.666777 0.094004 W\n0.666678 0.333354 0.280569 W\n0.666612 0.333223 0.660215 W\n0.333245 0.666489 0.701552 Se\n0.333310 0.666622 0.618762 Se\n0.333315 0.666632 0.318270 S\n0.666753 0.333504 0.056392 S\n0.666693 0.333385 0.131695 S\n0.333374 0.666749 0.242881 S\n",
"nsites": 12,
"nelements": 5,
"elements": [
"Te",
"Mo",
"W",
"Se",
"S"
],
"chemical_system": "Mo-S-Se-Te-W",
"density": 5.11042077757439,
"density_atomic": 0.031064573812473045,
"volume": 386.29211758835595,
"volume_molar": 19.385879221629597,
"formula_full": "Te2 Mo1 W3 Se2 S4",
"formula_reduced": "Te2MoW3(SeS2)2",
"formula_anonymous": "AB2C2D3E4",
"energy_above_hull": 4.220089847222222,
"spacegroup": 156
}
]
}