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=-formula_anonymous&page=4425",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_anonymous&page=4423",
"results": [
{
"id": "jvasp-21529",
"created_at": "2022-09-04T14:35:40.982895Z",
"updated_at": "2022-09-04T14:35:40.982921Z",
"structure_string": "Mg6 B4 O12\n1.0\n4.530278 0.000000 0.000000\n0.000000 5.418218 0.000000\n0.000000 0.000000 8.457302\nMg B O\n6 4 12\ndirect\n0.000000 0.500000 0.813214 Mg\n0.500000 0.000000 0.686786 Mg\n0.000000 0.500000 0.186786 Mg\n0.500000 0.000000 0.313214 Mg\n0.500000 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 Mg\n0.045632 0.243948 0.500000 B\n0.454368 0.743948 0.000000 B\n0.954368 0.756052 0.500000 B\n0.545632 0.256052 0.000000 B\n0.749438 0.679044 0.000000 O\n0.249438 0.820956 0.500000 O\n0.750562 0.179044 0.500000 O\n0.250562 0.320956 0.000000 O\n0.201547 0.295542 0.639072 O\n0.298453 0.795542 0.139072 O\n0.701547 0.204458 0.860928 O\n0.298453 0.795542 0.860928 O\n0.798453 0.704458 0.360928 O\n0.701547 0.204458 0.139072 O\n0.798453 0.704458 0.639072 O\n0.201547 0.295542 0.360928 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Mg",
"B",
"O"
],
"chemical_system": "B-Mg-O",
"density": 3.0481549733805364,
"density_atomic": 0.10597648572779761,
"volume": 207.59322078774503,
"volume_molar": 5.682525438207084,
"formula_full": "Mg6 B4 O12",
"formula_reduced": "Mg3(BO3)2",
"formula_anonymous": "A2B3C6",
"energy_above_hull": 2.031876665151515,
"spacegroup": 58
},
{
"id": "jvasp-97315",
"created_at": "2022-09-04T14:35:47.923082Z",
"updated_at": "2022-09-04T14:35:47.923098Z",
"structure_string": "La3 Nb2 N6\n1.0\n4.023538 0.000000 -0.796418\n-0.157643 4.020448 -0.796418\n-0.015966 -0.016604 10.481095\nLa Nb N\n3 2 6\ndirect\n0.000000 0.000000 0.000000 La\n0.820074 0.820075 0.640147 La\n0.179926 0.179927 0.359853 La\n0.398927 0.398929 0.797856 Nb\n0.601073 0.601073 0.202144 Nb\n0.584124 0.084124 0.168247 N\n0.084124 0.584124 0.168247 N\n0.415876 0.915878 0.831753 N\n0.915876 0.415877 0.831753 N\n0.698756 0.698756 0.397510 N\n0.301245 0.301246 0.602490 N\n",
"nsites": 11,
"nelements": 3,
"elements": [
"La",
"Nb",
"N"
],
"chemical_system": "La-N-Nb",
"density": 6.728480082414104,
"density_atomic": 0.06491964473782544,
"volume": 169.440237148908,
"volume_molar": 9.276299622895502,
"formula_full": "La3 Nb2 N6",
"formula_reduced": "La3(NbN3)2",
"formula_anonymous": "A2B3C6",
"energy_above_hull": 5.096408481818181,
"spacegroup": 139
},
{
"id": "jvasp-48262",
"created_at": "2022-09-04T14:35:43.003897Z",
"updated_at": "2022-09-04T14:35:43.003932Z",
"structure_string": "Li2 Fe3 O6\n1.0\n-5.044531 -0.061346 -0.037641\n-0.800341 -0.242190 4.780825\n-1.600812 3.904831 2.389958\nLi Fe O\n2 3 6\ndirect\n-0.000001 0.665419 0.667292 Li\n0.000000 0.334583 0.332708 Li\n0.499998 0.322676 0.838662 Fe\n0.500000 0.000001 0.499999 Fe\n0.500001 0.677327 0.161337 Fe\n0.722312 0.000012 0.752470 O\n0.712639 0.658273 0.438407 O\n0.712639 0.341751 0.096668 O\n0.287361 0.658252 0.903331 O\n0.287361 0.341729 0.561592 O\n0.277688 -0.000011 0.247529 O\n",
"nsites": 11,
"nelements": 3,
"elements": [
"Li",
"Fe",
"O"
],
"chemical_system": "Fe-Li-O",
"density": 4.720938525793691,
"density_atomic": 0.11273129547674152,
"volume": 97.577163053799,
"volume_molar": 5.342031007922263,
"formula_full": "Li2 Fe3 O6",
"formula_reduced": "Li2(FeO2)3",
"formula_anonymous": "A2B3C6",
"energy_above_hull": 2.722397045454545,
"spacegroup": 12
},
{
"id": "jvasp-86117",
"created_at": "2022-09-04T14:35:42.246627Z",
"updated_at": "2022-09-04T14:35:42.246647Z",
"structure_string": "Sm2 C3 N6\n1.0\n3.742797 -0.000000 -1.001239\n-0.141600 5.294846 -0.529323\n0.015780 0.002220 7.555211\nSm C N\n2 3 6\ndirect\n0.865683 0.928913 0.731367 Sm\n0.134317 0.071088 0.268633 Sm\n0.328118 0.405373 0.656235 C\n0.671882 0.594627 0.343765 C\n-0.000000 0.500000 0.000000 C\n0.988289 0.267814 0.976575 N\n0.689738 0.828776 0.379474 N\n0.657219 0.365544 0.314438 N\n0.011712 0.732187 0.023426 N\n0.310263 0.171225 0.620527 N\n0.342782 0.634457 0.685562 N\n",
"nsites": 11,
"nelements": 3,
"elements": [
"Sm",
"C",
"N"
],
"chemical_system": "C-N-Sm",
"density": 4.664063236619985,
"density_atomic": 0.07342437080619237,
"volume": 149.8140178692862,
"volume_molar": 8.201828212999972,
"formula_full": "Sm2 C3 N6",
"formula_reduced": "Sm2(CN2)3",
"formula_anonymous": "A2B3C6",
"energy_above_hull": 5.650032477272727,
"spacegroup": 12
},
{
"id": "jvasp-57863",
"created_at": "2022-09-04T14:38:29.269830Z",
"updated_at": "2022-09-04T14:38:29.269861Z",
"structure_string": "Al6 C3 N2\n1.0\n3.260769 0.005283 13.268744\n1.610949 2.835046 13.268744\n0.009061 0.005283 13.663531\nAl C N\n6 3 2\ndirect\n0.308459 0.308459 0.308459 Al\n0.912544 0.912543 0.912543 Al\n0.189135 0.189134 0.189134 Al\n0.810217 0.810216 0.810216 Al\n0.086801 0.086801 0.086801 Al\n0.690884 0.690883 0.690883 Al\n0.999673 0.999673 0.999672 C\n0.134525 0.134525 0.134525 C\n0.864822 0.864821 0.864821 C\n0.736020 0.736020 0.736020 N\n0.263324 0.263324 0.263324 N\n",
"nsites": 11,
"nelements": 3,
"elements": [
"Al",
"C",
"N"
],
"chemical_system": "Al-C-N",
"density": 2.983738069618139,
"density_atomic": 0.08748252018488113,
"volume": 125.73940458908999,
"volume_molar": 6.883821759218998,
"formula_full": "Al6 C3 N2",
"formula_reduced": "Al6C3N2",
"formula_anonymous": "A2B3C6",
"energy_above_hull": 4.179226663636364,
"spacegroup": 166
},
{
"id": "jvasp-47759",
"created_at": "2022-09-04T14:38:13.352596Z",
"updated_at": "2022-09-04T14:38:13.352627Z",
"structure_string": "Li2 Mn3 O6\n1.0\n0.416045 -5.004538 0.083231\n4.336396 2.532621 0.083231\n-1.922777 1.000107 4.740090\nLi Mn O\n2 3 6\ndirect\n0.508817 0.491182 0.500000 Li\n0.157849 0.842151 0.500000 Li\n-0.000574 0.000574 -0.000000 Mn\n0.667241 0.332758 -0.000000 Mn\n0.333333 0.666667 -0.000000 Mn\n0.294449 0.288958 0.770745 O\n0.372217 0.044375 0.229255 O\n0.088977 0.422311 0.196599 O\n0.955624 0.627782 0.770745 O\n0.577689 0.911023 0.803400 O\n0.711041 0.705550 0.229255 O\n",
"nsites": 11,
"nelements": 3,
"elements": [
"Li",
"Mn",
"O"
],
"chemical_system": "Li-Mn-O",
"density": 4.169642700644539,
"density_atomic": 0.10055312496188527,
"volume": 109.39490944880686,
"volume_molar": 5.989014028437899,
"formula_full": "Li2 Mn3 O6",
"formula_reduced": "Li2Mn3O6",
"formula_anonymous": "A2B3C6",
"energy_above_hull": 2.9655466112852658,
"spacegroup": 12
},
{
"id": "jvasp-55401",
"created_at": "2022-09-04T14:38:29.616509Z",
"updated_at": "2022-09-04T14:38:29.616534Z",
"structure_string": "Mn6 B4 O12\n1.0\n4.669829 -0.000000 0.000000\n-0.000000 5.684841 0.000000\n0.000000 0.000000 8.735194\nMn B O\n6 4 12\ndirect\n0.000000 0.500000 0.810696 Mn\n0.500000 0.000000 0.689303 Mn\n0.000000 0.500000 0.189303 Mn\n0.500000 0.000000 0.310696 Mn\n0.500000 0.500000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.037599 0.241916 0.500000 B\n0.462401 0.741916 0.000000 B\n0.962402 0.758084 0.500000 B\n0.537599 0.258084 0.000000 B\n0.749041 0.682008 0.000000 O\n0.249041 0.817992 0.500000 O\n0.750960 0.182008 0.500000 O\n0.250959 0.317992 0.000000 O\n0.188280 0.286734 0.635350 O\n0.311720 0.786734 0.135351 O\n0.688280 0.213266 0.864649 O\n0.311720 0.786734 0.864649 O\n0.811721 0.713266 0.364649 O\n0.688280 0.213266 0.135351 O\n0.811721 0.713266 0.635350 O\n0.188280 0.286734 0.364649 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Mn",
"B",
"O"
],
"chemical_system": "B-Mn-O",
"density": 4.044845730285653,
"density_atomic": 0.09487042058929691,
"volume": 231.89525105238118,
"volume_molar": 6.347753833695354,
"formula_full": "Mn6 B4 O12",
"formula_reduced": "Mn3(BO3)2",
"formula_anonymous": "A2B3C6",
"energy_above_hull": 3.7981534446186,
"spacegroup": 58
},
{
"id": "jvasp-13356",
"created_at": "2022-09-04T14:36:58.251966Z",
"updated_at": "2022-09-04T14:36:58.251991Z",
"structure_string": "Mg3 H2 O6\n1.0\n3.134821 -0.000000 -0.000000\n-4.702230 8.730755 -1.108243\n-1.567410 2.467224 4.640300\nMg H O\n3 2 6\ndirect\n0.022786 0.708898 0.918880 Mg\n-0.000000 0.333333 0.000000 Mg\n0.977212 0.957768 0.081120 Mg\n0.709603 0.945953 0.581348 H\n0.290395 0.720713 0.418653 H\n0.312849 0.798372 0.230582 O\n0.687149 0.868294 0.769419 O\n0.339421 0.539621 0.059979 O\n0.795324 0.113847 0.249105 O\n0.660578 0.127045 0.940021 O\n0.204674 0.552818 0.750895 O\n",
"nsites": 11,
"nelements": 3,
"elements": [
"Mg",
"H",
"O"
],
"chemical_system": "H-Mg-O",
"density": 2.093561187650889,
"density_atomic": 0.0811367979568254,
"volume": 135.57350397107527,
"volume_molar": 7.422206584002129,
"formula_full": "Mg3 H2 O6",
"formula_reduced": "Mg3(HO3)2",
"formula_anonymous": "A2B3C6",
"energy_above_hull": 1.7309071045454545,
"spacegroup": 12
},
{
"id": "jvasp-25815",
"created_at": "2022-09-04T14:37:45.750146Z",
"updated_at": "2022-09-04T14:37:45.750173Z",
"structure_string": "Sm6 Si4 Cl10 O12\n1.0\n7.411573 0.017428 1.219907\n-0.090424 7.411042 1.219907\n0.007633 0.007745 11.903668\nSm Si Cl O\n6 4 10 12\ndirect\n0.918789 0.413267 0.333020 Sm\n0.500000 0.000000 0.000000 Sm\n0.413267 0.918789 0.333020 Sm\n0.081211 0.586732 0.666980 Sm\n0.586733 0.081211 0.666980 Sm\n0.000000 0.500000 0.000000 Sm\n0.890725 0.182210 0.856572 Si\n0.182210 0.890725 0.856572 Si\n0.817790 0.109274 0.143429 Si\n0.109274 0.817790 0.143429 Si\n0.386415 0.386415 0.640234 Cl\n0.312419 0.900495 0.579316 Cl\n0.759867 0.759867 0.671412 Cl\n0.319402 0.319402 0.995733 Cl\n0.099505 0.687581 0.420685 Cl\n0.240133 0.240133 0.328589 Cl\n0.900495 0.312419 0.579316 Cl\n0.687581 0.099505 0.420685 Cl\n0.613585 0.613585 0.359766 Cl\n0.680598 0.680598 0.004268 Cl\n0.042313 0.608762 0.172656 O\n0.391238 0.957686 0.827345 O\n0.854785 0.145215 0.000000 O\n0.303976 0.868426 0.172872 O\n0.145216 0.854785 0.000000 O\n0.868426 0.303976 0.172872 O\n0.131573 0.696024 0.827129 O\n0.608762 0.042313 0.172656 O\n0.957686 0.391238 0.827345 O\n0.047205 0.047204 0.809527 O\n0.696024 0.131573 0.827129 O\n0.952795 0.952795 0.190474 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Sm",
"Si",
"Cl",
"O"
],
"chemical_system": "Cl-O-Si-Sm",
"density": 3.9652336776035244,
"density_atomic": 0.04895080792786487,
"volume": 653.7175044619488,
"volume_molar": 12.302433841080573,
"formula_full": "Sm6 Si4 Cl10 O12",
"formula_reduced": "Sm3Si2Cl5O6",
"formula_anonymous": "A2B3C5D6",
"energy_above_hull": 1.8317609476562495,
"spacegroup": 12
},
{
"id": "jvasp-97414",
"created_at": "2022-09-04T14:35:54.203921Z",
"updated_at": "2022-09-04T14:35:54.203948Z",
"structure_string": "Tb6 Si4 Cl10 O12\n1.0\n7.320859 0.009340 1.217662\n-0.023964 7.320826 1.217662\n0.007561 0.007596 11.673761\nTb Si Cl O\n6 4 10 12\ndirect\n0.918801 0.414194 0.332095 Tb\n0.081200 0.585807 0.667904 Tb\n0.500000 0.000000 -0.000000 Tb\n0.414194 0.918801 0.332095 Tb\n0.000000 0.500000 -0.000000 Tb\n0.585806 0.081200 0.667904 Tb\n0.890431 0.182938 0.854838 Si\n0.109569 0.817063 0.145161 Si\n0.182937 0.890432 0.854838 Si\n0.817063 0.109569 0.145161 Si\n0.317258 0.894734 0.579180 Cl\n0.616634 0.616635 0.359437 Cl\n0.681946 0.681946 0.003741 Cl\n0.682743 0.105267 0.420819 Cl\n0.894733 0.317258 0.579180 Cl\n0.105267 0.682743 0.420819 Cl\n0.765263 0.765264 0.669543 Cl\n0.318054 0.318055 0.996258 Cl\n0.234737 0.234737 0.330457 Cl\n0.383366 0.383367 0.640562 Cl\n0.048420 0.048421 0.802811 O\n0.044141 0.605589 0.172395 O\n0.605588 0.044141 0.172395 O\n0.859207 0.140793 -0.000000 O\n0.955859 0.394412 0.827605 O\n0.951580 0.951581 0.197188 O\n0.394412 0.955860 0.827605 O\n0.692017 0.133296 0.827420 O\n0.133296 0.692018 0.827420 O\n0.866704 0.307983 0.172580 O\n0.307984 0.866705 0.172580 O\n0.140793 0.859208 -0.000000 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Tb",
"Si",
"Cl",
"O"
],
"chemical_system": "Cl-O-Si-Tb",
"density": 4.280412202080487,
"density_atomic": 0.05115747878982577,
"volume": 625.5194891731877,
"volume_molar": 11.771770037263227,
"formula_full": "Tb6 Si4 Cl10 O12",
"formula_reduced": "Tb3Si2Cl5O6",
"formula_anonymous": "A2B3C5D6",
"energy_above_hull": 1.80710710859375,
"spacegroup": 12
},
{
"id": "jvasp-116997",
"created_at": "2022-09-04T14:38:45.824200Z",
"updated_at": "2022-09-04T14:38:45.824225Z",
"structure_string": "Zr3 Ti2 Pb5 O15\n1.0\n14.622119 -0.021248 0.167888\n13.507183 5.600253 0.167888\n-0.047649 -0.009450 4.277183\nZr Ti Pb O\n3 2 5 15\ndirect\n0.110952 0.110952 0.529232 Zr\n0.903573 0.903571 0.529205 Zr\n0.507264 0.507263 0.526715 Zr\n0.709605 0.709604 0.518076 Ti\n0.304888 0.304888 0.518075 Ti\n0.007127 0.007127 0.963683 Pb\n0.610856 0.610855 0.968174 Pb\n0.210485 0.210485 0.974519 Pb\n0.803881 0.803880 0.974586 Pb\n0.403404 0.403403 0.968261 Pb\n0.507353 0.007263 0.605702 O\n0.898515 0.424602 0.601451 O\n0.306536 0.811211 0.600166 O\n0.203176 0.708321 0.600156 O\n0.589852 0.116260 0.601472 O\n0.007263 0.507353 0.605702 O\n0.304048 0.304048 0.102167 O\n0.811212 0.306536 0.600166 O\n0.507349 0.507348 0.061519 O\n0.902755 0.902753 0.062858 O\n0.116260 0.589852 0.601472 O\n0.710598 0.710597 0.102160 O\n0.111927 0.111927 0.062876 O\n0.424603 0.898514 0.601451 O\n0.708321 0.203176 0.600156 O\n",
"nsites": 25,
"nelements": 4,
"elements": [
"Zr",
"Ti",
"Pb",
"O"
],
"chemical_system": "O-Pb-Ti-Zr",
"density": 7.772608563031685,
"density_atomic": 0.07111922359031574,
"volume": 351.5223977136364,
"volume_molar": 8.467669437296884,
"formula_full": "Zr3 Ti2 Pb5 O15",
"formula_reduced": "Zr3Ti2(PbO3)5",
"formula_anonymous": "A2B3C5D15",
"energy_above_hull": 2.8586242706666662,
"spacegroup": 35
},
{
"id": "jvasp-42901",
"created_at": "2022-09-04T14:38:17.000243Z",
"updated_at": "2022-09-04T14:38:17.000263Z",
"structure_string": "Li3 Fe5 Co2 O12\n1.0\n4.969008 0.063323 -0.013631\n2.525005 4.280117 0.013631\n-0.858518 1.481257 9.389582\nLi Fe Co O\n3 5 2 12\ndirect\n0.326022 0.841296 0.993571 Li\n0.841294 0.326024 0.506429 Li\n0.921644 0.921646 0.750000 Li\n0.077771 0.077771 0.250000 Fe\n0.008713 0.518865 0.989977 Fe\n0.518863 0.008715 0.510023 Fe\n0.418542 0.418542 0.250000 Fe\n0.575684 0.575686 0.750000 Fe\n0.251016 0.251018 0.750000 Co\n0.751685 0.751685 0.250000 Co\n0.962050 0.234089 0.864739 O\n0.605311 0.854764 0.864287 O\n0.782526 0.045748 0.362668 O\n0.465993 0.714494 0.357994 O\n0.234088 0.962051 0.635261 O\n0.126897 0.362884 0.356823 O\n0.045747 0.782526 0.137332 O\n0.291295 0.533108 0.863897 O\n0.362883 0.126898 0.143177 O\n0.714494 0.465994 0.142006 O\n0.533107 0.291297 0.636103 O\n0.854762 0.605313 0.635713 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Li",
"Fe",
"Co",
"O"
],
"chemical_system": "Co-Fe-Li-O",
"density": 5.115189774306579,
"density_atomic": 0.11111471609375652,
"volume": 197.99357612934736,
"volume_molar": 5.41975084103048,
"formula_full": "Li3 Fe5 Co2 O12",
"formula_reduced": "Li3Fe5(CoO6)2",
"formula_anonymous": "A2B3C5D12",
"energy_above_hull": 3.0940909681818183,
"spacegroup": 5
}
]
}