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=-nsites&page=533",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-nsites&page=531",
"results": [
{
"id": "jvasp-116803",
"created_at": "2022-09-04T14:38:43.280210Z",
"updated_at": "2022-09-04T14:38:43.280231Z",
"structure_string": "Y3 Fe6 O12\n1.0\n3.484973 -0.016000 -0.023158\n1.737489 3.020997 -0.023158\n-0.219191 -0.126122 24.238888\nY Fe O\n3 6 12\ndirect\n0.309088 0.309090 0.658302 Y\n0.000000 0.000000 0.000000 Y\n0.690911 0.690912 0.341698 Y\n0.373524 0.373525 0.462911 Fe\n0.675281 0.675282 0.123993 Fe\n0.324718 0.324719 0.876007 Fe\n0.015832 0.015832 0.217963 Fe\n-0.015832 -0.015831 0.782037 Fe\n0.626475 0.626476 0.537089 Fe\n0.010114 0.010114 0.130254 O\n0.669168 0.669170 0.043210 O\n0.977838 0.977840 0.700908 O\n0.681080 0.681082 0.212318 O\n0.290287 0.290288 0.537023 O\n0.022161 0.022162 0.299092 O\n0.318919 0.318920 0.787682 O\n0.330831 0.330832 0.956790 O\n0.639242 0.639244 0.614989 O\n-0.010114 -0.010114 0.869746 O\n0.709712 0.709714 0.462977 O\n0.360757 0.360758 0.385011 O\n",
"nsites": 21,
"nelements": 3,
"elements": [
"Y",
"Fe",
"O"
],
"chemical_system": "Fe-O-Y",
"density": 5.152008954585647,
"density_atomic": 0.0820817227048214,
"volume": 255.84258356174195,
"volume_molar": 7.336762145766058,
"formula_full": "Y3 Fe6 O12",
"formula_reduced": "Y(FeO2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.8641972071428565,
"spacegroup": 12
},
{
"id": "jvasp-116926",
"created_at": "2022-09-04T14:38:47.575827Z",
"updated_at": "2022-09-04T14:38:47.575857Z",
"structure_string": "Na6 N6 O9\n1.0\n6.060567 -0.010889 1.799734\n4.557541 3.994923 1.799734\n-0.324936 -0.121920 11.734741\nNa N O\n6 6 9\ndirect\n0.934151 0.723742 0.597427 Na\n0.657925 0.298603 0.781682 Na\n0.269098 0.047585 0.927433 Na\n0.952416 0.730901 0.072567 Na\n0.701397 0.342074 0.218317 Na\n0.276257 0.065849 0.402572 Na\n0.740204 0.259796 0.500000 N\n0.034762 0.634566 0.339301 N\n0.419269 0.961168 0.185069 N\n0.737447 0.262553 -0.000000 N\n0.365434 0.965237 0.660699 N\n0.038831 0.580731 0.814930 N\n0.523497 0.358441 0.588369 O\n0.280115 0.888095 0.758361 O\n0.123405 0.225652 0.601207 O\n0.440944 0.559056 -0.000000 O\n0.801901 0.808063 0.884504 O\n0.111905 0.719884 0.241638 O\n0.774349 0.876594 0.398793 O\n0.191936 0.198099 0.115495 O\n0.641559 0.476503 0.411630 O\n",
"nsites": 21,
"nelements": 3,
"elements": [
"Na",
"N",
"O"
],
"chemical_system": "N-Na-O",
"density": 2.1147380493323564,
"density_atomic": 0.0730764156383476,
"volume": 287.37041652300246,
"volume_molar": 8.240881421720717,
"formula_full": "Na6 N6 O9",
"formula_reduced": "Na2N2O3",
"formula_anonymous": "A2B2C3",
"energy_above_hull": 2.5267335714285712,
"spacegroup": 5
},
{
"id": "jvasp-99353",
"created_at": "2022-09-04T14:36:01.110611Z",
"updated_at": "2022-09-04T14:36:01.110628Z",
"structure_string": "Rb2 Sn1 H12 N6\n1.0\n6.619844 -0.000035 0.000005\n-3.309952 5.732911 -0.000001\n0.000004 0.000001 5.599800\nRb Sn H N\n2 1 12 6\ndirect\n0.666665 0.333332 0.793170 Rb\n0.333334 0.666667 0.206831 Rb\n0.000000 0.000000 0.000000 Sn\n0.265529 0.207749 0.394248 H\n0.792252 0.057779 0.394247 H\n0.942218 0.734470 0.394246 H\n0.734469 0.792250 0.605753 H\n0.057780 0.265529 0.605755 H\n0.207747 0.942220 0.605753 H\n0.862143 0.286463 0.226690 H\n0.713530 0.575676 0.226689 H\n0.575679 0.862142 0.773311 H\n0.137856 0.713536 0.773311 H\n0.286468 0.424323 0.773312 H\n0.424319 0.137857 0.226690 H\n0.791394 0.107936 0.220657 N\n0.107942 0.316547 0.779342 N\n0.208604 0.892063 0.779344 N\n0.683453 0.791390 0.779344 N\n0.892056 0.683452 0.220659 N\n0.316546 0.208608 0.220657 N\n",
"nsites": 21,
"nelements": 4,
"elements": [
"Rb",
"Sn",
"H",
"N"
],
"chemical_system": "H-N-Rb-Sn",
"density": 3.0143652649221306,
"density_atomic": 0.09881551749698808,
"volume": 212.51722939810628,
"volume_molar": 6.094326996955267,
"formula_full": "Rb2 Sn1 H12 N6",
"formula_reduced": "Rb2Sn(H2N)6",
"formula_anonymous": "AB2C6D12",
"energy_above_hull": 3.6277100571428567,
"spacegroup": 147
},
{
"id": "jvasp-42248",
"created_at": "2022-09-04T14:36:04.687279Z",
"updated_at": "2022-09-04T14:36:04.687310Z",
"structure_string": "Ta6 O15\n1.0\n7.040888 0.000276 -0.000081\n-0.000171 7.208322 -0.007948\n-3.520250 -3.359510 5.406229\nTa O\n6 15\ndirect\n0.240844 0.991827 0.009436 Ta\n0.298492 0.578212 0.596982 Ta\n0.768589 0.991824 0.009432 Ta\n0.233953 0.984744 0.467908 Ta\n0.779509 0.033412 0.559017 Ta\n0.730951 0.480388 0.461904 Ta\n0.419114 0.295737 0.228102 O\n0.153793 0.037098 0.709574 O\n0.953293 0.087870 0.906590 O\n0.823098 0.329248 0.646197 O\n0.049264 0.885846 0.098523 O\n0.182910 0.664310 0.365817 O\n0.269740 0.291694 0.539479 O\n0.862690 0.972608 0.308280 O\n0.808993 0.295737 0.228102 O\n0.704102 0.713774 0.408201 O\n0.462625 0.870264 0.925249 O\n0.445592 0.972608 0.308283 O\n0.083848 0.657233 0.705857 O\n0.622011 0.657230 0.705853 O\n0.555778 0.037098 0.709573 O\n",
"nsites": 21,
"nelements": 2,
"elements": [
"Ta",
"O"
],
"chemical_system": "O-Ta",
"density": 8.028457284358813,
"density_atomic": 0.07658860468348706,
"volume": 274.19222594255876,
"volume_molar": 7.862972285351488,
"formula_full": "Ta6 O15",
"formula_reduced": "Ta2O5",
"formula_anonymous": "A2B5",
"energy_above_hull": 3.728737985714286,
"spacegroup": 8
},
{
"id": "jvasp-88374",
"created_at": "2022-09-04T14:36:02.577122Z",
"updated_at": "2022-09-04T14:36:02.577142Z",
"structure_string": "Ba2 Ca1 B6 O12\n1.0\n6.204879 -0.043225 3.558298\n2.041001 5.859753 3.558298\n-0.061279 -0.043225 7.152499\nBa Ca B O\n2 1 6 12\ndirect\n0.210605 0.210604 0.210605 Ba\n0.789395 0.789393 0.789396 Ba\n0.000000 0.000000 0.000000 Ca\n0.631357 0.756551 0.366381 B\n0.366380 0.631355 0.756554 B\n0.368644 0.243446 0.633620 B\n0.633620 0.368643 0.243448 B\n0.243447 0.633619 0.368644 B\n0.756553 0.366379 0.631357 B\n0.202979 0.457225 0.578474 O\n0.578474 0.202978 0.457226 O\n0.457226 0.578472 0.202979 O\n0.542775 0.421525 0.797022 O\n0.421527 0.797020 0.542775 O\n0.797022 0.542773 0.421528 O\n0.336786 0.086447 0.837578 O\n0.837578 0.336785 0.086449 O\n0.663215 0.913551 0.162423 O\n0.162423 0.663213 0.913553 O\n0.913552 0.162421 0.663215 O\n0.086448 0.837577 0.336786 O\n",
"nsites": 21,
"nelements": 4,
"elements": [
"Ba",
"Ca",
"B",
"O"
],
"chemical_system": "B-Ba-Ca-O",
"density": 3.614198227805288,
"density_atomic": 0.079964446570529,
"volume": 262.61671155915406,
"volume_molar": 7.531022871131166,
"formula_full": "Ba2 Ca1 B6 O12",
"formula_reduced": "Ba2Ca(BO2)6",
"formula_anonymous": "AB2C6D12",
"energy_above_hull": 3.1735785647619044,
"spacegroup": 148
},
{
"id": "jvasp-63134",
"created_at": "2022-09-04T14:35:43.946558Z",
"updated_at": "2022-09-04T14:35:43.946585Z",
"structure_string": "Li6 Cu1 B4 O10\n1.0\n4.715464 -0.092307 -0.013840\n1.540149 6.074883 -0.029432\n2.313896 0.573689 6.818345\nLi Cu B O\n6 1 4 10\ndirect\n0.452662 0.633175 0.282560 Li\n0.523278 0.146445 0.219648 Li\n0.868789 0.373272 0.439925 Li\n0.946829 0.837427 0.341906 Li\n0.742165 0.834376 0.001629 Li\n0.893249 0.971187 0.629099 Li\n0.751318 0.327446 0.842012 Cu\n0.388739 0.114680 0.615067 B\n0.220990 0.016660 0.988528 B\n0.131504 0.538748 0.060099 B\n0.280613 0.610435 0.679523 B\n0.442578 0.026972 0.800370 O\n0.100543 0.208687 0.608790 O\n0.915874 0.087788 0.010470 O\n0.406428 0.423418 0.077821 O\n0.571623 0.500549 0.652054 O\n0.078217 0.619572 0.876154 O\n0.887611 0.598055 0.218173 O\n0.168868 0.717090 0.532949 O\n0.328414 0.922512 0.141441 O\n0.639907 0.090098 0.456290 O\n",
"nsites": 21,
"nelements": 4,
"elements": [
"Li",
"Cu",
"B",
"O"
],
"chemical_system": "B-Cu-Li-O",
"density": 2.605681397393381,
"density_atomic": 0.10684025006679727,
"volume": 196.5551371030174,
"volume_molar": 5.63658429874033,
"formula_full": "Li6 Cu1 B4 O10",
"formula_reduced": "Li6Cu(B2O5)2",
"formula_anonymous": "AB4C6D10",
"energy_above_hull": 2.652088370634921,
"spacegroup": 1
},
{
"id": "jvasp-91396",
"created_at": "2022-09-04T14:35:44.130290Z",
"updated_at": "2022-09-04T14:35:44.130307Z",
"structure_string": "Er2 Ni12 P7\n1.0\n9.069606 0.000000 -0.000000\n-4.534801 7.854510 0.000000\n0.000000 0.000000 3.689988\nEr Ni P\n2 12 7\ndirect\n0.333333 0.666667 0.000000 Er\n0.666667 0.333333 0.500000 Er\n0.906473 0.122792 0.500000 Ni\n0.877208 0.783681 0.500000 Ni\n0.216320 0.093527 0.500000 Ni\n0.049913 0.617747 0.500000 Ni\n0.382254 0.432167 0.500000 Ni\n0.567834 0.950087 0.500000 Ni\n0.121934 0.846769 0.000000 Ni\n0.153231 0.275165 0.000000 Ni\n0.937654 0.372383 0.000000 Ni\n0.627618 0.565270 0.000000 Ni\n0.434730 0.062347 0.000000 Ni\n0.724836 0.878067 0.000000 Ni\n0.593943 0.705899 0.500000 P\n0.408782 0.295096 0.000000 P\n0.886315 0.591218 0.000000 P\n0.704905 0.113686 0.000000 P\n0.111955 0.406057 0.500000 P\n0.294102 0.888045 0.500000 P\n0.000000 0.000000 0.000000 P\n",
"nsites": 21,
"nelements": 3,
"elements": [
"Er",
"Ni",
"P"
],
"chemical_system": "Er-Ni-P",
"density": 7.932078479566126,
"density_atomic": 0.0798889702095746,
"volume": 262.86482282735915,
"volume_molar": 7.5381379234229415,
"formula_full": "Er2 Ni12 P7",
"formula_reduced": "Er2Ni12P7",
"formula_anonymous": "A2B7C12",
"energy_above_hull": 2.1380213,
"spacegroup": 174
},
{
"id": "jvasp-29949",
"created_at": "2022-09-04T14:38:16.961723Z",
"updated_at": "2022-09-04T14:38:16.961742Z",
"structure_string": "Sn3 P4 O14\n1.0\n5.528216 0.024170 0.439559\n2.929194 6.522867 -0.179817\n0.313431 0.910077 9.006561\nSn P O\n3 4 14\ndirect\n0.762267 0.396010 0.327977 Sn\n0.237733 0.603991 0.672023 Sn\n0.000000 0.000000 0.000000 Sn\n0.654555 0.692104 0.958133 P\n0.884080 0.347121 0.715441 P\n0.115920 0.652880 0.284558 P\n0.345444 0.307896 0.041867 P\n0.863700 0.652861 0.370239 O\n0.348635 0.410320 0.891407 O\n0.651365 0.589681 0.108592 O\n0.136299 0.347140 0.629761 O\n0.658774 0.408897 0.613018 O\n0.829140 0.814254 0.934753 O\n0.797265 0.521108 0.834911 O\n0.074644 0.858002 0.202995 O\n0.202734 0.478893 0.165089 O\n0.170859 0.185747 0.065247 O\n0.624788 0.183693 0.095710 O\n0.925356 0.141999 0.797005 O\n0.341226 0.591104 0.386981 O\n0.375212 0.816307 0.904290 O\n",
"nsites": 21,
"nelements": 3,
"elements": [
"Sn",
"P",
"O"
],
"chemical_system": "O-P-Sn",
"density": 3.5935992771856293,
"density_atomic": 0.06455307211488294,
"volume": 325.3137195798676,
"volume_molar": 9.328976240329196,
"formula_full": "Sn3 P4 O14",
"formula_reduced": "Sn3(P2O7)2",
"formula_anonymous": "A3B4C14",
"energy_above_hull": 2.735245528571429,
"spacegroup": 2
},
{
"id": "jvasp-21639",
"created_at": "2022-09-04T14:38:29.140619Z",
"updated_at": "2022-09-04T14:38:29.140635Z",
"structure_string": "Ca2 Co12 P7\n1.0\n4.526726 -7.840518 -0.000000\n4.526726 7.840518 0.000000\n-0.000000 -0.000000 3.562412\nCa Co P\n2 12 7\ndirect\n0.666668 0.333333 0.500000 Ca\n0.333333 0.666668 0.000000 Ca\n0.564410 0.947023 0.500000 Co\n0.435419 0.058598 0.000000 Co\n0.623180 0.564582 0.000000 Co\n0.152283 0.271332 0.000000 Co\n0.119050 0.847718 0.000000 Co\n0.941403 0.376821 0.000000 Co\n0.894315 0.133957 0.500000 Co\n0.866044 0.760358 0.500000 Co\n0.239643 0.105686 0.500000 Co\n0.052978 0.617387 0.500000 Co\n0.382613 0.435591 0.500000 Co\n0.728669 0.880951 0.000000 Co\n0.708230 0.112938 0.000000 P\n0.000000 0.000000 0.000000 P\n0.404707 0.291771 0.000000 P\n0.598294 0.708513 0.500000 P\n0.291488 0.889782 0.500000 P\n0.110219 0.401707 0.500000 P\n0.887064 0.595294 0.000000 P\n",
"nsites": 21,
"nelements": 3,
"elements": [
"Ca",
"Co",
"P"
],
"chemical_system": "Ca-Co-P",
"density": 6.594069601062376,
"density_atomic": 0.08304551642221258,
"volume": 252.87337480368814,
"volume_molar": 7.251614559638321,
"formula_full": "Ca2 Co12 P7",
"formula_reduced": "Ca2Co12P7",
"formula_anonymous": "A2B7C12",
"energy_above_hull": 3.5515076257142857,
"spacegroup": 174
},
{
"id": "jvasp-21914",
"created_at": "2022-09-04T14:38:17.051264Z",
"updated_at": "2022-09-04T14:38:17.051291Z",
"structure_string": "Sc5 Si7 Pt9\n1.0\n5.024435 -8.702577 0.000000\n5.024435 8.702577 -0.000000\n-0.000000 -0.000000 3.913793\nSc Si Pt\n5 7 9\ndirect\n0.333333 0.666668 0.000000 Sc\n0.666668 0.333333 0.500000 Sc\n0.229873 0.125143 0.500000 Sc\n0.895270 0.770128 0.500000 Sc\n0.874858 0.104731 0.500000 Sc\n0.000000 0.000000 0.000000 Si\n0.683358 0.572121 0.000000 Si\n0.888764 0.316643 0.000000 Si\n0.427880 0.111237 0.000000 Si\n0.144678 0.717363 0.500000 Si\n0.572687 0.855323 0.500000 Si\n0.282637 0.427314 0.500000 Si\n0.159700 0.876078 0.000000 Pt\n0.549476 0.602062 0.500000 Pt\n0.397939 0.947414 0.500000 Pt\n0.052587 0.450524 0.500000 Pt\n0.651916 0.086289 0.000000 Pt\n0.913712 0.565627 0.000000 Pt\n0.434374 0.348085 0.000000 Pt\n0.716379 0.840301 0.000000 Pt\n0.123923 0.283622 0.000000 Pt\n",
"nsites": 21,
"nelements": 3,
"elements": [
"Sc",
"Si",
"Pt"
],
"chemical_system": "Pt-Sc-Si",
"density": 10.562611707552248,
"density_atomic": 0.06135590129345546,
"volume": 342.26536579685074,
"volume_molar": 9.81509623857869,
"formula_full": "Sc5 Si7 Pt9",
"formula_reduced": "Sc5Si7Pt9",
"formula_anonymous": "A5B7C9",
"energy_above_hull": 3.485015669047619,
"spacegroup": 174
},
{
"id": "jvasp-59062",
"created_at": "2022-09-04T14:38:13.593826Z",
"updated_at": "2022-09-04T14:38:13.593837Z",
"structure_string": "Pb7 Br2 F12\n1.0\n5.187229 -8.984545 0.000000\n5.187229 8.984545 0.000000\n0.000000 0.000000 4.012331\nPb Br F\n7 2 12\ndirect\n0.896812 0.305608 0.000000 Pb\n0.604469 0.893032 0.500000 Pb\n0.288563 0.395531 0.500000 Pb\n0.106968 0.711437 0.500000 Pb\n0.694392 0.591204 0.000000 Pb\n0.408796 0.103188 0.000000 Pb\n0.000000 0.000000 0.000000 Pb\n0.333333 0.666667 0.000000 Br\n0.666667 0.333333 0.500000 Br\n0.158397 0.883001 0.000000 F\n0.946424 0.567596 0.000000 F\n0.432404 0.378828 0.000000 F\n0.621172 0.053576 0.000000 F\n0.875502 0.084792 0.500000 F\n0.042021 0.428131 0.500000 F\n0.915208 0.790710 0.500000 F\n0.571869 0.613891 0.500000 F\n0.116999 0.275397 0.000000 F\n0.386109 0.957979 0.500000 F\n0.209290 0.124498 0.500000 F\n0.724603 0.841603 0.000000 F\n",
"nsites": 21,
"nelements": 3,
"elements": [
"Pb",
"Br",
"F"
],
"chemical_system": "Br-F-Pb",
"density": 8.161706324179756,
"density_atomic": 0.05615145787203047,
"volume": 373.98850886221214,
"volume_molar": 10.724816395194043,
"formula_full": "Pb7 Br2 F12",
"formula_reduced": "Pb7(BrF6)2",
"formula_anonymous": "A2B7C12",
"energy_above_hull": 0.0460517583333333,
"spacegroup": 174
},
{
"id": "jvasp-21638",
"created_at": "2022-09-04T14:38:28.865975Z",
"updated_at": "2022-09-04T14:38:28.865994Z",
"structure_string": "Mg2 Co12 P7\n1.0\n4.495139 -7.785808 -0.000000\n4.495139 7.785808 -0.000000\n0.000000 0.000000 3.473781\nMg Co P\n2 12 7\ndirect\n0.333333 0.666667 0.000000 Mg\n0.666667 0.333333 0.500000 Mg\n0.557286 0.939270 0.500000 Co\n0.443024 0.066398 0.000000 Co\n0.623374 0.556976 0.000000 Co\n0.153327 0.273748 0.000000 Co\n0.120421 0.846673 0.000000 Co\n0.933602 0.376626 0.000000 Co\n0.894406 0.135188 0.500000 Co\n0.864812 0.759217 0.500000 Co\n0.240783 0.105595 0.500000 Co\n0.060730 0.618016 0.500000 Co\n0.381984 0.442714 0.500000 Co\n0.726252 0.879580 0.000000 Co\n0.407280 0.290767 0.000000 P\n0.593763 0.708039 0.500000 P\n0.291961 0.885724 0.500000 P\n0.114276 0.406237 0.500000 P\n0.709233 0.116513 0.000000 P\n0.883487 0.592720 0.000000 P\n0.000000 0.000000 0.000000 P\n",
"nsites": 21,
"nelements": 3,
"elements": [
"Mg",
"Co",
"P"
],
"chemical_system": "Co-Mg-P",
"density": 6.642248719491447,
"density_atomic": 0.08636545160030994,
"volume": 243.15278402277974,
"volume_molar": 6.972858531290757,
"formula_full": "Mg2 Co12 P7",
"formula_reduced": "Mg2Co12P7",
"formula_anonymous": "A2B7C12",
"energy_above_hull": 3.506074161904762,
"spacegroup": 174
}
]
}