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=nelements&page=4555",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=nelements&page=4553",
"results": [
{
"id": "jvasp-41550",
"created_at": "2022-09-04T14:37:48.310948Z",
"updated_at": "2022-09-04T14:37:48.310975Z",
"structure_string": "K1 Sr1 C1 O3 F1\n1.0\n2.635631 -4.565046 -0.000000\n2.635631 4.565046 0.000000\n-0.000000 0.000000 4.718368\nK Sr C O F\n1 1 1 3 1\ndirect\n0.000000 0.000000 0.000000 K\n0.666667 0.333333 0.500000 Sr\n0.333333 0.666667 0.500000 C\n0.190947 0.381894 0.500000 O\n0.190947 0.809053 0.500000 O\n0.618106 0.809052 0.500000 O\n0.666667 0.333333 0.000000 F\n",
"nsites": 7,
"nelements": 5,
"elements": [
"K",
"Sr",
"C",
"O",
"F"
],
"chemical_system": "C-F-K-O-Sr",
"density": 3.008748392339239,
"density_atomic": 0.061651900580970226,
"volume": 113.5407008386803,
"volume_molar": 9.767972606279754,
"formula_full": "K1 Sr1 C1 O3 F1",
"formula_reduced": "KSrCO3F",
"formula_anonymous": "ABCDE3",
"energy_above_hull": 1.5285907275000006,
"spacegroup": 187
},
{
"id": "jvasp-53214",
"created_at": "2022-09-04T14:37:34.088178Z",
"updated_at": "2022-09-04T14:37:34.088205Z",
"structure_string": "Na4 Zr8 S4 N8 Cl4\n1.0\n0.000000 6.379323 -0.001584\n7.323312 0.000000 0.000000\n0.000000 -2.077595 -9.939141\nNa Zr S N Cl\n4 8 4 8 4\ndirect\n0.738255 0.875962 0.992456 Na\n0.238255 0.624038 0.992456 Na\n0.761744 0.375962 0.007543 Na\n0.261744 0.124038 0.007543 Na\n0.472967 0.633136 0.632748 Zr\n0.554238 0.880762 0.372659 Zr\n0.945760 0.380762 0.627340 Zr\n0.054238 0.619238 0.372659 Zr\n0.445761 0.119238 0.627340 Zr\n0.527031 0.366864 0.367251 Zr\n0.972967 0.866864 0.632748 Zr\n0.027032 0.133136 0.367251 Zr\n0.646676 0.122856 0.189797 S\n0.146676 0.377144 0.189797 S\n0.853323 0.622856 0.810203 S\n0.353323 0.877144 0.810203 S\n0.902560 0.866382 0.411752 N\n0.402561 0.633618 0.411752 N\n0.872409 0.385920 0.412643 N\n0.372410 0.114080 0.412644 N\n0.127589 0.614080 0.587356 N\n0.597438 0.366382 0.588247 N\n0.097438 0.133618 0.588247 N\n0.627589 0.885920 0.587356 N\n0.135869 0.870040 0.169737 Cl\n0.635868 0.629960 0.169737 Cl\n0.364130 0.370040 0.830263 Cl\n0.864130 0.129960 0.830263 Cl\n",
"nsites": 28,
"nelements": 5,
"elements": [
"Na",
"Zr",
"S",
"N",
"Cl"
],
"chemical_system": "Cl-N-Na-S-Zr",
"density": 4.305043825292126,
"density_atomic": 0.060298222490366274,
"volume": 464.3586302145723,
"volume_molar": 9.987260836689082,
"formula_full": "Na4 Zr8 S4 N8 Cl4",
"formula_reduced": "NaZr2SN2Cl",
"formula_anonymous": "ABCD2E2",
"energy_above_hull": 3.032955509642857,
"spacegroup": 14
},
{
"id": "jvasp-40634",
"created_at": "2022-09-04T14:37:50.594183Z",
"updated_at": "2022-09-04T14:37:50.594202Z",
"structure_string": "Na2 Si4 B2 H4 O14\n1.0\n0.000000 5.211210 0.193688\n6.984128 0.000000 0.000000\n0.000000 -0.456596 -8.895998\nNa Si B H O\n2 4 2 4 14\ndirect\n0.064411 0.421759 0.552965 Na\n0.935588 0.921759 0.447035 Na\n0.189498 0.099865 0.868537 Si\n0.810502 0.599865 0.131463 Si\n0.279112 0.531264 0.937041 Si\n0.720887 0.031264 0.062959 Si\n0.242369 0.802859 0.685042 B\n0.757630 0.302859 0.314958 B\n0.575951 0.668307 0.583456 H\n0.424048 0.168307 0.416544 H\n0.770453 0.684076 0.729896 H\n0.229546 0.184076 0.270104 H\n0.786831 0.503988 0.297003 O\n0.234482 0.160672 0.378259 O\n0.765517 0.660672 0.621741 O\n0.418376 0.034471 -0.003164 O\n0.581624 0.534471 0.003164 O\n0.213168 0.003988 0.702996 O\n0.213485 0.332268 0.842896 O\n0.221860 0.708507 0.824153 O\n0.092173 0.548406 0.074138 O\n0.907826 0.048406 0.925862 O\n0.786514 0.832268 0.157104 O\n0.720554 0.219440 0.443133 O\n0.778139 0.208506 0.175847 O\n0.279445 0.719440 0.556867 O\n",
"nsites": 26,
"nelements": 5,
"elements": [
"Na",
"Si",
"B",
"H",
"O"
],
"chemical_system": "B-H-Na-O-Si",
"density": 2.096321369950587,
"density_atomic": 0.08045576806378008,
"volume": 323.15893099658064,
"volume_molar": 7.485032962740522,
"formula_full": "Na2 Si4 B2 H4 O14",
"formula_reduced": "NaSi2BH2O7",
"formula_anonymous": "ABC2D2E7",
"energy_above_hull": 2.856059483333333,
"spacegroup": 4
},
{
"id": "jvasp-42738",
"created_at": "2022-09-04T14:37:29.957805Z",
"updated_at": "2022-09-04T14:37:29.957823Z",
"structure_string": "Li4 Mn3 Fe1 B4 O12\n1.0\n5.221026 -0.010320 0.016211\n-2.410089 5.411433 -0.069452\n-0.092739 -2.219795 8.663414\nLi Mn Fe B O\n4 3 1 4 12\ndirect\n0.584943 0.315628 0.964967 Li\n0.090026 0.320407 0.466431 Li\n0.912867 0.680762 0.535709 Li\n0.413364 0.682193 0.033320 Li\n0.545865 0.236631 0.295160 Mn\n0.042370 0.234676 0.791417 Mn\n0.955269 0.763331 0.206124 Mn\n0.454557 0.766369 0.707113 Fe\n0.053964 0.260180 0.129660 B\n0.448915 0.741354 0.371973 B\n0.552794 0.257985 0.630172 B\n0.944370 0.740782 0.868034 B\n0.282147 0.706899 0.491328 O\n0.623284 0.177076 0.753316 O\n0.726409 0.296544 0.514151 O\n0.816320 0.310403 0.131191 O\n0.316158 0.308592 0.629709 O\n0.127189 0.180495 0.252643 O\n0.777896 0.701574 0.986544 O\n0.222998 0.298339 0.011873 O\n0.862988 0.815696 0.745317 O\n0.684863 0.688959 0.369946 O\n0.186869 0.696583 0.865465 O\n0.373571 0.818522 0.248433 O\n",
"nsites": 24,
"nelements": 5,
"elements": [
"Li",
"Mn",
"Fe",
"B",
"O"
],
"chemical_system": "B-Fe-Li-Mn-O",
"density": 3.2936497213420353,
"density_atomic": 0.0984236442553101,
"volume": 243.8438464820933,
"volume_molar": 6.118591529062486,
"formula_full": "Li4 Mn3 Fe1 B4 O12",
"formula_reduced": "Li4Mn3Fe(BO3)4",
"formula_anonymous": "AB3C4D4E12",
"energy_above_hull": 3.406013314894636,
"spacegroup": 1
},
{
"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-46643",
"created_at": "2022-09-04T14:37:29.703913Z",
"updated_at": "2022-09-04T14:37:29.703938Z",
"structure_string": "Li4 Mn3 V3 Cr2 O16\n1.0\n5.705991 0.019026 -0.044594\n2.836196 4.972569 -0.036857\n0.073896 0.014813 9.392569\nLi Mn V Cr O\n4 3 3 2 16\ndirect\n0.664835 0.670313 0.892613 Li\n0.000409 0.999437 0.993517 Li\n0.997484 0.004924 0.497096 Li\n0.330913 0.338179 0.395187 Li\n0.833755 0.332587 0.212831 Mn\n0.655934 0.177053 0.713261 Mn\n0.166949 0.177043 0.713264 Mn\n0.349572 0.829332 0.214174 V\n0.176367 0.647190 0.712425 V\n0.821192 0.829345 0.214149 V\n0.665662 0.668641 0.490273 Cr\n0.331083 0.337915 0.987960 Cr\n0.169066 0.661992 0.102300 O\n0.663699 0.161285 0.098161 O\n0.338011 0.323916 0.597179 O\n0.038015 0.479889 0.844754 O\n0.482057 0.479917 0.844731 O\n0.830426 0.339098 0.601079 O\n0.519811 0.523324 0.341477 O\n0.515756 0.968593 0.347225 O\n0.335043 0.830749 0.601309 O\n0.997778 0.004342 0.806896 O\n0.000104 -0.000114 0.309812 O\n0.672694 0.654724 0.098016 O\n0.477487 0.044947 0.837154 O\n0.834137 0.830743 0.601324 O\n0.956890 0.523366 0.341484 O\n0.175189 0.161272 0.098193 O\n",
"nsites": 28,
"nelements": 5,
"elements": [
"Li",
"Mn",
"V",
"Cr",
"O"
],
"chemical_system": "Cr-Li-Mn-O-V",
"density": 4.403289224290886,
"density_atomic": 0.10525913130225527,
"volume": 266.01017558844393,
"volume_molar": 5.721252574949733,
"formula_full": "Li4 Mn3 V3 Cr2 O16",
"formula_reduced": "Li4Mn3V3Cr2O16",
"formula_anonymous": "A2B3C3D4E16",
"energy_above_hull": 3.4383166115763544,
"spacegroup": 8
},
{
"id": "jvasp-32178",
"created_at": "2022-09-04T14:37:36.904551Z",
"updated_at": "2022-09-04T14:37:36.904577Z",
"structure_string": "H16 Pt2 N4 Cl4 O4\n1.0\n5.750514 0.000000 -1.674774\n0.000000 6.765941 0.000000\n0.027520 0.000000 8.222376\nH Pt N Cl O\n16 2 4 4 4\ndirect\n0.646873 0.258430 0.441552 H\n0.812276 0.616784 0.718650 H\n0.812276 0.883215 0.218650 H\n0.187723 0.383215 0.281351 H\n0.877332 0.347550 0.080847 H\n0.122667 0.847550 0.419153 H\n0.122667 0.652450 0.919154 H\n0.877332 0.152450 0.580848 H\n0.187723 0.116785 0.781351 H\n0.141290 0.846531 0.630135 H\n0.141290 0.653469 0.130134 H\n0.858710 0.153469 0.369866 H\n0.646873 0.241570 0.941552 H\n0.353126 0.741570 0.558449 H\n0.858710 0.346531 0.869866 H\n0.353126 0.758429 0.058449 H\n0.000000 0.000000 0.000000 Pt\n0.000000 0.500000 0.500000 Pt\n0.177099 0.733986 0.031523 N\n0.177099 0.766014 0.531523 N\n0.822900 0.233986 0.468477 N\n0.822900 0.266014 0.968478 N\n0.349749 0.334455 0.621287 Cl\n0.650250 0.834455 0.878714 Cl\n0.650250 0.665544 0.378714 Cl\n0.349749 0.165545 0.121287 Cl\n0.055368 0.473937 0.267872 O\n0.944632 0.973937 0.232129 O\n0.944632 0.526062 0.732129 O\n0.055368 0.026062 0.767872 O\n",
"nsites": 30,
"nelements": 5,
"elements": [
"H",
"Pt",
"N",
"Cl",
"O"
],
"chemical_system": "Cl-H-N-O-Pt",
"density": 3.464620513129578,
"density_atomic": 0.0936841069053421,
"volume": 320.22507329137306,
"volume_molar": 6.428134887473218,
"formula_full": "H16 Pt2 N4 Cl4 O4",
"formula_reduced": "H8PtN2(ClO)2",
"formula_anonymous": "AB2C2D2E8",
"energy_above_hull": 3.1506182023333333,
"spacegroup": 14
},
{
"id": "jvasp-28731",
"created_at": "2022-09-04T14:37:33.807452Z",
"updated_at": "2022-09-04T14:37:33.807478Z",
"structure_string": "Te2 Mo3 W1 Se4 S2\n1.0\n3.350475 -0.000015 -0.000013\n-1.675251 2.901606 0.000007\n-0.000151 0.000112 36.058337\nTe Mo W Se S\n2 3 1 4 2\ndirect\n0.666665 0.333353 0.414854 Te\n0.666676 0.333332 0.520821 Te\n0.333333 0.666672 0.099407 Mo\n0.666679 0.333358 0.274876 Mo\n0.666643 0.333285 0.660815 Mo\n0.333342 0.666682 0.467852 W\n0.333356 0.666691 0.321060 Se\n0.333319 0.666616 0.706956 Se\n0.333344 0.666704 0.228670 Se\n0.333311 0.666636 0.614594 Se\n0.666661 0.333347 0.057352 S\n0.666663 0.333319 0.141492 S\n",
"nsites": 12,
"nelements": 5,
"elements": [
"Te",
"Mo",
"W",
"Se",
"S"
],
"chemical_system": "Mo-S-Se-Te-W",
"density": 5.243009278744656,
"density_atomic": 0.034231966853263185,
"volume": 350.5495331728534,
"volume_molar": 17.592155267660107,
"formula_full": "Te2 Mo3 W1 Se4 S2",
"formula_reduced": "Te2Mo3W(Se2S)2",
"formula_anonymous": "AB2C2D3E4",
"energy_above_hull": 3.725533891666667,
"spacegroup": 156
},
{
"id": "jvasp-25616",
"created_at": "2022-09-04T14:37:50.677234Z",
"updated_at": "2022-09-04T14:37:50.677254Z",
"structure_string": "K4 Sc2 Si8 O20 F2\n1.0\n7.297586 0.000000 3.759969\n3.648793 7.980217 1.879985\n-0.006265 -0.000000 8.973954\nK Sc Si O F\n4 2 8 20 2\ndirect\n0.681768 0.633978 0.002487 K\n0.684254 -0.002487 0.633978 K\n0.318232 0.366022 -0.002487 K\n0.315746 0.002487 0.366022 K\n0.754553 -0.000000 -0.000000 Sc\n0.245448 -0.000000 -0.000000 Sc\n0.878232 0.302639 0.324090 Si\n0.819128 0.675910 0.302639 Si\n0.504962 0.697361 0.675909 Si\n0.797676 0.324090 0.697360 Si\n0.202323 0.675910 0.302639 Si\n0.495037 0.302639 0.324090 Si\n0.121767 0.697361 0.675909 Si\n0.180871 0.324090 0.697360 Si\n0.588768 0.497245 0.728300 O\n0.682932 0.728300 0.502755 O\n0.086011 0.728300 0.502755 O\n0.683425 0.260699 0.372450 O\n0.730023 0.820363 0.187953 O\n0.550386 0.187954 0.179637 O\n0.261661 0.820363 0.187953 O\n0.082024 0.187954 0.179637 O\n0.316574 0.739301 0.627549 O\n0.317067 0.271700 0.497245 O\n0.738338 0.179637 0.812046 O\n0.055875 0.627550 0.260699 O\n0.269976 0.179637 0.812046 O\n0.411231 0.502755 0.271700 O\n0.185687 0.497245 0.728300 O\n0.917975 0.812047 0.820362 O\n0.913988 0.271700 0.497244 O\n0.449613 0.812047 0.820362 O\n0.944124 0.372450 0.739300 O\n0.814312 0.502755 0.271700 O\n0.000000 0.000000 0.000000 F\n0.500000 -0.000000 -0.000000 F\n",
"nsites": 36,
"nelements": 5,
"elements": [
"K",
"Sc",
"Si",
"O",
"F"
],
"chemical_system": "F-K-O-Sc-Si",
"density": 2.633030974638205,
"density_atomic": 0.0688602429694834,
"volume": 522.7980391523454,
"volume_molar": 8.745453835631707,
"formula_full": "K4 Sc2 Si8 O20 F2",
"formula_reduced": "K2ScSi4O10F",
"formula_anonymous": "ABC2D4E10",
"energy_above_hull": 2.4319250518055555,
"spacegroup": 87
},
{
"id": "jvasp-86163",
"created_at": "2022-09-04T14:36:20.653673Z",
"updated_at": "2022-09-04T14:36:20.653712Z",
"structure_string": "K2 Fe1 Cu1 C6 N6\n1.0\n6.188275 0.093253 -3.180936\n-1.783955 5.718297 -3.298190\n0.076883 -0.043608 6.969543\nK Fe Cu C N\n2 1 1 6 6\ndirect\n0.211010 0.743700 0.488301 K\n0.788987 0.256300 0.511697 K\n0.500000 0.500001 0.000000 Fe\n0.000002 0.999999 0.000001 Cu\n0.719759 0.721548 0.067181 C\n0.280241 0.278451 0.932817 C\n0.409381 0.323778 0.646497 C\n0.719434 0.345245 0.066295 C\n0.590620 0.676223 0.353504 C\n0.280566 0.654755 0.933703 C\n0.645899 0.785041 0.571895 N\n0.129302 0.144226 0.878364 N\n0.129767 0.734710 0.879693 N\n0.870233 0.265287 0.120304 N\n0.870697 0.855773 0.121633 N\n0.354098 0.214960 0.428105 N\n",
"nsites": 16,
"nelements": 5,
"elements": [
"K",
"Fe",
"Cu",
"C",
"N"
],
"chemical_system": "C-Cu-Fe-K-N",
"density": 2.367996450698989,
"density_atomic": 0.06450994854378524,
"volume": 248.02376007384694,
"volume_molar": 9.335212468682338,
"formula_full": "K2 Fe1 Cu1 C6 N6",
"formula_reduced": "K2FeCu(CN)6",
"formula_anonymous": "ABC2D6E6",
"energy_above_hull": 5.321241340625,
"spacegroup": 12
},
{
"id": "jvasp-99362",
"created_at": "2022-09-04T14:36:14.401498Z",
"updated_at": "2022-09-04T14:36:14.401524Z",
"structure_string": "Li4 Al4 Si4 H8 O20\n1.0\n4.762480 0.000000 0.000000\n0.000000 8.995440 0.000000\n0.000000 0.000000 11.620890\nLi Al Si H O\n4 4 4 8 20\ndirect\n0.388466 0.585308 0.188267 Li\n0.388466 0.914692 0.688267 Li\n0.888466 0.085308 0.311733 Li\n0.888466 0.414692 0.811733 Li\n0.363488 0.043547 0.142297 Al\n0.863488 0.956453 0.857703 Al\n0.363488 0.456453 0.642297 Al\n0.863488 0.543547 0.357703 Al\n0.772732 0.879505 0.114177 Si\n0.272732 0.379505 0.385822 Si\n0.272732 0.120495 0.885822 Si\n0.772732 0.620495 0.614177 Si\n0.873581 0.646888 0.949919 H\n0.373581 0.353112 0.050081 H\n0.683633 0.510704 0.986986 H\n0.183633 0.010704 0.513014 H\n0.683633 0.989296 0.486986 H\n0.183633 0.489296 0.013014 H\n0.873581 0.853112 0.449919 H\n0.373581 0.146888 0.550081 H\n0.029121 0.526924 0.676023 O\n0.029121 0.973076 0.176023 O\n0.218909 0.221363 0.309226 O\n0.718909 0.721363 0.190774 O\n0.985725 0.866678 0.728884 O\n0.864863 0.535931 0.947734 O\n0.860381 0.837213 0.979977 O\n0.860381 0.662787 0.479977 O\n0.360381 0.337213 0.520023 O\n0.360381 0.162787 0.020023 O\n0.218909 0.278637 0.809226 O\n0.485725 0.133322 0.271116 O\n0.718909 0.778637 0.690774 O\n0.485725 0.366678 0.771116 O\n0.864863 0.964069 0.447734 O\n0.529121 0.473076 0.323977 O\n0.985725 0.633322 0.228884 O\n0.529121 0.026924 0.823977 O\n0.364863 0.035931 0.552266 O\n0.364863 0.464069 0.052266 O\n",
"nsites": 40,
"nelements": 5,
"elements": [
"Li",
"Al",
"Si",
"H",
"O"
],
"chemical_system": "Al-H-Li-O-Si",
"density": 1.9214969485321238,
"density_atomic": 0.0803461414526056,
"volume": 497.84593605649513,
"volume_molar": 7.495245759315432,
"formula_full": "Li4 Al4 Si4 H8 O20",
"formula_reduced": "LiAlSiH2O5",
"formula_anonymous": "ABCD2E5",
"energy_above_hull": 2.5466818899999994,
"spacegroup": 33
},
{
"id": "jvasp-85697",
"created_at": "2022-09-04T14:36:16.118482Z",
"updated_at": "2022-09-04T14:36:16.118513Z",
"structure_string": "Fe2 Cu1 As2 H2 O10\n1.0\n4.969919 -0.006920 -1.243292\n-1.333717 5.048406 -1.310653\n-0.215258 -0.183836 7.738568\nFe Cu As H O\n2 1 2 2 10\ndirect\n0.813528 0.397023 0.807380 Fe\n0.186471 0.602977 0.192620 Fe\n0.000000 0.000000 0.000000 Cu\n0.289429 0.794923 0.675531 As\n0.710570 0.205077 0.324470 As\n0.235441 0.350961 0.630822 H\n0.764558 0.649040 0.369179 H\n0.851314 0.217066 0.555071 O\n0.148685 0.782934 0.444930 O\n0.981444 0.242164 0.231779 O\n0.018555 0.757836 0.768221 O\n0.435797 0.936853 0.188610 O\n0.411762 0.500066 0.672869 O\n0.135150 0.324844 0.956636 O\n0.564202 0.063147 0.811391 O\n0.588237 0.499934 0.327132 O\n0.864850 0.675156 0.043365 O\n",
"nsites": 17,
"nelements": 5,
"elements": [
"Fe",
"Cu",
"As",
"H",
"O"
],
"chemical_system": "As-Cu-Fe-H-O",
"density": 4.229506293280816,
"density_atomic": 0.08889577206045467,
"volume": 191.23519157287862,
"volume_molar": 6.774383775984947,
"formula_full": "Fe2 Cu1 As2 H2 O10",
"formula_reduced": "Fe2CuAs2(HO5)2",
"formula_anonymous": "AB2C2D2E10",
"energy_above_hull": 2.907329408823529,
"spacegroup": 2
}
]
}