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_full&page=4161",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_full&page=4159",
"results": [
{
"id": "jvasp-86822",
"created_at": "2022-09-04T14:35:45.950647Z",
"updated_at": "2022-09-04T14:35:45.950666Z",
"structure_string": "Ba6 Al6 Ga4\n1.0\n5.970415 -0.000000 0.000000\n-2.985207 5.170531 -0.000000\n0.000000 -0.000000 14.728134\nBa Al Ga\n6 6 4\ndirect\n0.333333 0.666667 0.877781 Ba\n0.666667 0.333333 0.377781 Ba\n0.666667 0.333333 0.122219 Ba\n0.000000 0.000000 0.000000 Ba\n0.333333 0.666667 0.622219 Ba\n0.000000 0.000000 0.500000 Ba\n0.841617 0.683234 0.750000 Al\n0.683234 0.841616 0.250000 Al\n0.841617 0.158383 0.750000 Al\n0.158383 0.841616 0.250000 Al\n0.316766 0.158383 0.750000 Al\n0.158383 0.316766 0.250000 Al\n0.666667 0.333333 0.888209 Ga\n0.333333 0.666667 0.111790 Ga\n0.333333 0.666667 0.388210 Ga\n0.666667 0.333333 0.611790 Ga\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Ba",
"Al",
"Ga"
],
"chemical_system": "Al-Ba-Ga",
"density": 4.619171303859234,
"density_atomic": 0.03519107955003961,
"volume": 454.6606755058184,
"volume_molar": 17.112691162079514,
"formula_full": "Ba6 Al6 Ga4",
"formula_reduced": "Ba3Al3Ga2",
"formula_anonymous": "A2B3C3",
"energy_above_hull": 0.5021053937500001,
"spacegroup": 194
},
{
"id": "jvasp-86220",
"created_at": "2022-09-04T14:35:54.584646Z",
"updated_at": "2022-09-04T14:35:54.584657Z",
"structure_string": "Ba6 Al6 Ga4\n1.0\n5.970236 -0.000000 0.000000\n-2.985118 5.170376 -0.000000\n-0.000000 -0.000000 14.728682\nBa Al Ga\n6 6 4\ndirect\n0.333333 0.666668 0.877778 Ba\n0.666667 0.333333 0.377778 Ba\n0.666667 0.333333 0.122222 Ba\n0.000000 0.000000 0.000000 Ba\n0.333333 0.666668 0.622222 Ba\n0.000000 0.000000 0.500000 Ba\n0.841613 0.683227 0.750000 Al\n0.683227 0.841613 0.250000 Al\n0.841613 0.158387 0.750000 Al\n0.158387 0.841613 0.250000 Al\n0.316774 0.158387 0.750000 Al\n0.158387 0.316774 0.250000 Al\n0.666667 0.333333 0.888216 Ga\n0.333333 0.666668 0.111784 Ga\n0.333333 0.666668 0.388216 Ga\n0.666667 0.333333 0.611783 Ga\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Ba",
"Al",
"Ga"
],
"chemical_system": "Al-Ba-Ga",
"density": 4.619276403371508,
"density_atomic": 0.035191880248921246,
"volume": 454.65033089530516,
"volume_molar": 17.112301807700653,
"formula_full": "Ba6 Al6 Ga4",
"formula_reduced": "Ba3Al3Ga2",
"formula_anonymous": "A2B3C3",
"energy_above_hull": 0.5021053937500001,
"spacegroup": 194
},
{
"id": "jvasp-57693",
"created_at": "2022-09-04T14:37:18.776972Z",
"updated_at": "2022-09-04T14:37:18.777002Z",
"structure_string": "Ba6 Al10\n1.0\n3.042641 -5.270009 -0.000000\n3.042641 5.270009 0.000000\n-0.000000 0.000000 14.736507\nBa Al\n6 10\ndirect\n0.000000 0.000000 0.500000 Ba\n0.000000 0.000000 0.000000 Ba\n0.333333 0.666667 0.125191 Ba\n0.666667 0.333333 0.625191 Ba\n0.666667 0.333333 0.874809 Ba\n0.333333 0.666667 0.374809 Ba\n0.846002 0.153998 0.250000 Al\n0.153998 0.307997 0.750000 Al\n0.692003 0.846002 0.750000 Al\n0.307997 0.153998 0.250000 Al\n0.846002 0.692003 0.250000 Al\n0.153998 0.846002 0.750000 Al\n0.333333 0.666667 0.885730 Al\n0.666667 0.333333 0.385730 Al\n0.666667 0.333333 0.114270 Al\n0.333333 0.666667 0.614270 Al\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Ba",
"Al"
],
"chemical_system": "Al-Ba",
"density": 3.843186118493478,
"density_atomic": 0.03385582196404109,
"volume": 472.59227724537016,
"volume_molar": 17.787607597878527,
"formula_full": "Ba6 Al10",
"formula_reduced": "Ba3Al5",
"formula_anonymous": "A3B5",
"energy_above_hull": 1.08079523875,
"spacegroup": 194
},
{
"id": "jvasp-108613",
"created_at": "2022-09-04T14:37:57.606664Z",
"updated_at": "2022-09-04T14:37:57.606684Z",
"structure_string": "Ba6 Ac2\n1.0\n8.528239 -0.000000 0.000000\n-4.264119 7.385672 0.000000\n-0.000000 -0.000000 6.841598\nBa Ac\n6 2\ndirect\n0.170144 0.340287 0.250000 Ba\n0.659713 0.829856 0.250000 Ba\n0.170143 0.829856 0.250000 Ba\n0.829856 0.659713 0.750000 Ba\n0.340287 0.170144 0.750000 Ba\n0.829856 0.170144 0.750000 Ba\n0.333333 0.666667 0.750000 Ac\n0.666667 0.333333 0.250000 Ac\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ba",
"Ac"
],
"chemical_system": "Ac-Ba",
"density": 4.924476918596655,
"density_atomic": 0.018564491390766588,
"volume": 430.93020065063325,
"volume_molar": 32.439029075664465,
"formula_full": "Ba6 Ac2",
"formula_reduced": "Ba3Ac",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0129694774999999,
"spacegroup": 194
},
{
"id": "jvasp-59580",
"created_at": "2022-09-04T14:36:51.784291Z",
"updated_at": "2022-09-04T14:36:51.784321Z",
"structure_string": "Ba5 V5 O15\n1.0\n2.843582 -4.925229 0.000000\n2.843582 4.925229 -0.000000\n0.000000 -0.000000 11.563315\nBa V O\n5 5 15\ndirect\n0.333333 0.666667 0.407012 Ba\n0.666667 0.333333 0.592988 Ba\n0.333333 0.666667 0.790204 Ba\n0.666667 0.333333 0.209796 Ba\n0.000000 0.000000 0.000000 Ba\n0.000000 0.000000 0.500000 V\n0.333333 0.666667 0.092820 V\n0.666667 0.333333 0.907180 V\n0.000000 0.000000 0.720446 V\n0.000000 0.000000 0.279553 V\n0.833297 0.666595 0.804933 O\n0.500000 0.500000 0.000000 O\n0.500000 -0.000000 0.000000 O\n0.833298 0.166702 0.804933 O\n0.166702 0.833298 0.195066 O\n0.166702 0.333404 0.195066 O\n0.151892 0.848107 0.604283 O\n0.303786 0.151892 0.395717 O\n0.848107 0.696214 0.395717 O\n0.848107 0.151892 0.395717 O\n0.333404 0.166702 0.804933 O\n0.151892 0.303786 0.604283 O\n0.696214 0.848107 0.604283 O\n0.666595 0.833297 0.195066 O\n-0.000000 0.500000 0.000000 O\n",
"nsites": 25,
"nelements": 3,
"elements": [
"Ba",
"V",
"O"
],
"chemical_system": "Ba-O-V",
"density": 6.056435279246112,
"density_atomic": 0.07718545560600412,
"volume": 323.8952183895031,
"volume_molar": 7.802170386530113,
"formula_full": "Ba5 V5 O15",
"formula_reduced": "BaVO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.833360134,
"spacegroup": 164
},
{
"id": "jvasp-89043",
"created_at": "2022-09-04T14:36:05.267495Z",
"updated_at": "2022-09-04T14:36:05.267521Z",
"structure_string": "Ba5 V5 O14\n1.0\n5.816155 0.000000 0.000000\n-2.908078 5.036938 0.000000\n0.000000 0.000000 11.989799\nBa V O\n5 5 14\ndirect\n0.000000 0.000000 0.000000 Ba\n0.666665 0.333333 0.233694 Ba\n0.333333 0.666666 0.425144 Ba\n0.666665 0.333333 0.574855 Ba\n0.333333 0.666666 0.766306 Ba\n0.000000 0.000000 0.706751 V\n0.000000 0.000000 0.293249 V\n0.333333 0.666666 0.135145 V\n0.666665 0.333333 0.864854 V\n0.000000 0.000000 0.500000 V\n0.167417 0.832583 0.191875 O\n0.167418 0.334835 0.191875 O\n0.846631 0.153368 0.398935 O\n0.665164 0.832583 0.191875 O\n0.334835 0.167419 0.808124 O\n0.832582 0.665165 0.808124 O\n0.832582 0.167419 0.808124 O\n0.153368 0.846633 0.601067 O\n0.153368 0.306736 0.601067 O\n0.693264 0.846633 0.601067 O\n0.306737 0.153368 0.398935 O\n0.846631 0.693265 0.398935 O\n0.333333 0.666666 0.991193 O\n0.666665 0.333333 0.008808 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Ba",
"V",
"O"
],
"chemical_system": "Ba-O-V",
"density": 5.509156032963111,
"density_atomic": 0.068327693719641,
"volume": 351.2485010613073,
"volume_molar": 8.813616313042509,
"formula_full": "Ba5 V5 O14",
"formula_reduced": "Ba5V5O14",
"formula_anonymous": "A5B5C14",
"energy_above_hull": 2.7663491604166675,
"spacegroup": 164
},
{
"id": "jvasp-23239",
"created_at": "2022-09-04T14:37:43.168393Z",
"updated_at": "2022-09-04T14:37:43.168418Z",
"structure_string": "Ba5 Sm8 Mn4 O21\n1.0\n5.517835 -0.000000 1.615078\n2.758918 9.839567 0.807538\n-0.005164 -0.000000 10.250893\nBa Sm Mn O\n5 8 4 21\ndirect\n0.862910 0.675821 0.598361 Ba\n0.461272 0.401639 0.675821 Ba\n0.137092 0.324179 0.401639 Ba\n0.538732 0.598361 0.324179 Ba\n0.000000 0.000000 0.000000 Ba\n0.589912 0.055220 0.764959 Sm\n0.249575 0.914944 0.585911 Sm\n0.645131 0.764960 0.944780 Sm\n0.410091 0.944781 0.235041 Sm\n0.750427 0.085057 0.414089 Sm\n0.164517 0.585910 0.085057 Sm\n0.354870 0.235041 0.055220 Sm\n0.835485 0.414089 0.914943 Sm\n0.041521 0.199159 0.717800 Mn\n0.759322 0.282199 0.199159 Mn\n0.240680 0.717801 0.800842 Mn\n0.958481 0.800841 0.282199 Mn\n0.968992 0.396821 0.665200 O\n0.031010 0.603179 0.334800 O\n0.093137 0.875351 0.407524 O\n0.365813 0.665200 0.603179 O\n0.500662 0.592477 0.875351 O\n0.968489 0.407524 0.124650 O\n0.376014 0.124649 0.592477 O\n0.906864 0.124649 0.592476 O\n0.499339 0.407524 0.124649 O\n0.031513 0.592477 0.875350 O\n0.623990 0.875351 0.407523 O\n0.936486 0.861373 0.772859 O\n0.709345 0.227141 0.861373 O\n0.797859 0.772860 0.138627 O\n0.570717 0.138627 0.227141 O\n0.063517 0.138627 0.227141 O\n0.290658 0.772860 0.138627 O\n0.202144 0.227141 0.861373 O\n0.429285 0.861373 0.772859 O\n0.500001 0.000000 0.000000 O\n0.634190 0.334801 0.396821 O\n",
"nsites": 38,
"nelements": 4,
"elements": [
"Ba",
"Sm",
"Mn",
"O"
],
"chemical_system": "Ba-Mn-O-Sm",
"density": 7.294621268937678,
"density_atomic": 0.06826736917222391,
"volume": 556.6348968880602,
"volume_molar": 8.82140447628417,
"formula_full": "Ba5 Sm8 Mn4 O21",
"formula_reduced": "Ba5Sm8Mn4O21",
"formula_anonymous": "A4B5C8D21",
"energy_above_hull": 2.6043816661978223,
"spacegroup": 87
},
{
"id": "jvasp-23235",
"created_at": "2022-09-04T14:37:50.087905Z",
"updated_at": "2022-09-04T14:37:50.087937Z",
"structure_string": "Ba5 Nd8 Mn4 O21\n1.0\n5.572026 0.000000 1.624234\n2.786012 9.945663 0.812117\n0.002711 0.000000 10.360387\nBa Nd Mn O\n5 8 4 21\ndirect\n0.863484 0.674298 0.598733 Ba\n0.462218 0.401267 0.674298 Ba\n0.136516 0.325702 0.401267 Ba\n0.537782 0.598733 0.325702 Ba\n0.000000 0.000000 0.000000 Ba\n0.590903 0.054442 0.763753 Nd\n0.249927 0.913992 0.586155 Nd\n0.645345 0.763753 0.945558 Nd\n0.409097 0.945558 0.236247 Nd\n0.750073 0.086008 0.413845 Nd\n0.163919 0.586154 0.086008 Nd\n0.354656 0.236247 0.054442 Nd\n0.836081 0.413845 0.913992 Nd\n0.041776 0.200470 0.715978 Mn\n0.757755 0.284022 0.200469 Mn\n0.242246 0.715978 0.799531 Mn\n0.958224 0.799530 0.284022 Mn\n0.029030 0.603987 0.337953 O\n0.970971 0.396013 0.662048 O\n0.091668 0.872463 0.408003 O\n0.366983 0.662047 0.603987 O\n0.499671 0.591997 0.872464 O\n0.964133 0.408002 0.127536 O\n0.372134 0.127536 0.591997 O\n0.908332 0.127536 0.591997 O\n0.500329 0.408002 0.127536 O\n0.035867 0.591997 0.872464 O\n0.627866 0.872463 0.408003 O\n0.939014 0.858735 0.773812 O\n0.712826 0.226188 0.858736 O\n0.797750 0.773811 0.141264 O\n0.571561 0.141264 0.226188 O\n0.060986 0.141264 0.226189 O\n0.287174 0.773811 0.141265 O\n0.202250 0.226188 0.858736 O\n0.428439 0.858735 0.773812 O\n0.500000 -0.000000 -0.000000 O\n0.633017 0.337952 0.396013 O\n",
"nsites": 38,
"nelements": 4,
"elements": [
"Ba",
"Nd",
"Mn",
"O"
],
"chemical_system": "Ba-Mn-Nd-O",
"density": 6.931105003716537,
"density_atomic": 0.06619022726292599,
"volume": 574.1028784967519,
"volume_molar": 9.098232486917414,
"formula_full": "Ba5 Nd8 Mn4 O21",
"formula_reduced": "Ba5Nd8Mn4O21",
"formula_anonymous": "A4B5C8D21",
"energy_above_hull": 2.6357324819872963,
"spacegroup": 87
},
{
"id": "jvasp-19055",
"created_at": "2022-09-04T14:37:06.390326Z",
"updated_at": "2022-09-04T14:37:06.390362Z",
"structure_string": "Ba5 Nb4 O15\n1.0\n2.936379 -5.085957 0.000000\n2.936379 5.085957 -0.000000\n-0.000000 0.000000 11.923318\nBa Nb O\n5 4 15\ndirect\n0.666667 0.333333 0.428250 Ba\n0.333333 0.666667 0.571750 Ba\n0.666667 0.333333 0.790821 Ba\n0.333333 0.666667 0.209179 Ba\n0.000000 0.000000 0.000000 Ba\n0.666667 0.333333 0.105286 Nb\n0.333333 0.666667 0.894714 Nb\n0.000000 0.000000 0.682195 Nb\n0.000000 0.000000 0.317805 Nb\n0.168669 0.337337 0.807199 O\n0.500000 -0.000000 0.000000 O\n-0.000000 0.500000 0.000000 O\n0.500000 0.500000 0.000000 O\n0.337337 0.168669 0.192801 O\n0.831332 0.168669 0.192801 O\n0.329529 0.164765 0.611288 O\n0.164765 0.329529 0.388712 O\n0.164765 0.835236 0.388712 O\n0.670471 0.835236 0.388712 O\n0.168669 0.831332 0.807199 O\n0.835236 0.164765 0.611288 O\n0.835236 0.670471 0.611288 O\n0.831332 0.662663 0.192801 O\n0.662663 0.831332 0.807199 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Ba",
"Nb",
"O"
],
"chemical_system": "Ba-Nb-O",
"density": 6.053353287741544,
"density_atomic": 0.06739060039407982,
"volume": 356.1327523371994,
"volume_molar": 8.936173182586808,
"formula_full": "Ba5 Nb4 O15",
"formula_reduced": "Ba5Nb4O15",
"formula_anonymous": "A4B5C15",
"energy_above_hull": 2.8956833312499994,
"spacegroup": 164
},
{
"id": "jvasp-112796",
"created_at": "2022-09-04T14:38:43.450202Z",
"updated_at": "2022-09-04T14:38:43.450221Z",
"structure_string": "Ba5 Mn5 O15\n1.0\n5.535853 -0.016398 11.035322\n2.599842 4.887409 11.035322\n-0.027388 -0.016398 12.345981\nBa Mn O\n5 5 15\ndirect\n0.735590 0.735590 0.735592 Ba\n0.865926 0.865926 0.865927 Ba\n0.000000 0.000000 0.000000 Ba\n0.134074 0.134074 0.134074 Ba\n0.264409 0.264409 0.264409 Ba\n0.569216 0.569216 0.569217 Mn\n0.638975 0.638975 0.638976 Mn\n0.361024 0.361025 0.361025 Mn\n0.430783 0.430783 0.430784 Mn\n0.500000 0.500000 0.500000 Mn\n0.750262 0.308042 0.750263 O\n0.249737 0.691958 0.249738 O\n0.691957 0.249737 0.249738 O\n0.249737 0.249737 0.691958 O\n0.166994 0.615407 0.615408 O\n0.615407 0.615407 0.166995 O\n0.384592 0.833006 0.384593 O\n0.500000 0.500000 0.000000 O\n0.500000 -0.000000 0.500000 O\n-0.000000 0.500000 0.500000 O\n0.750262 0.750262 0.308043 O\n0.384592 0.384592 0.833006 O\n0.833005 0.384592 0.384593 O\n0.615407 0.166994 0.615408 O\n0.308042 0.750262 0.750263 O\n",
"nsites": 25,
"nelements": 3,
"elements": [
"Ba",
"Mn",
"O"
],
"chemical_system": "Ba-Mn-O",
"density": 5.926906052474641,
"density_atomic": 0.07427824120920545,
"volume": 336.5723204132854,
"volume_molar": 8.107543557794505,
"formula_full": "Ba5 Mn5 O15",
"formula_reduced": "BaMnO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.8929887422758624,
"spacegroup": 166
},
{
"id": "jvasp-21541",
"created_at": "2022-09-04T14:38:36.080647Z",
"updated_at": "2022-09-04T14:38:36.080675Z",
"structure_string": "Ba5 Mg18 Si13\n1.0\n7.286059 -12.619825 0.000000\n7.286059 12.619825 0.000000\n0.000000 0.000000 4.502571\nBa Mg Si\n5 18 13\ndirect\n0.180048 0.000000 0.500000 Ba\n0.819952 0.819952 0.500000 Ba\n0.000000 0.180048 0.500000 Ba\n0.666667 0.333333 0.000000 Ba\n0.333333 0.666667 0.000000 Ba\n0.195325 0.373020 0.000000 Mg\n0.557823 0.000000 0.000000 Mg\n0.442177 0.442177 0.000000 Mg\n0.000000 0.557823 0.000000 Mg\n0.122209 0.483514 0.500000 Mg\n0.516487 0.638695 0.500000 Mg\n0.638695 0.516487 0.500000 Mg\n0.877792 0.361305 0.500000 Mg\n0.361305 0.877792 0.500000 Mg\n0.721902 0.000000 0.500000 Mg\n0.278098 0.278098 0.500000 Mg\n0.000000 0.721902 0.500000 Mg\n0.177694 0.804675 0.000000 Mg\n0.804675 0.177694 0.000000 Mg\n0.822306 0.626980 0.000000 Mg\n0.373020 0.195325 0.000000 Mg\n0.626980 0.822306 0.000000 Mg\n0.483514 0.122209 0.500000 Mg\n0.629285 0.629285 0.000000 Si\n0.000000 0.370715 0.000000 Si\n0.832692 0.000000 0.000000 Si\n0.167307 0.167307 0.000000 Si\n0.000000 0.832692 0.000000 Si\n0.833271 0.524866 0.500000 Si\n0.524866 0.833271 0.500000 Si\n0.308405 0.475134 0.500000 Si\n0.475134 0.308405 0.500000 Si\n0.166730 0.691595 0.500000 Si\n0.370715 0.000000 0.000000 Si\n0.000000 0.000000 0.000000 Si\n0.691595 0.166730 0.500000 Si\n",
"nsites": 36,
"nelements": 3,
"elements": [
"Ba",
"Mg",
"Si"
],
"chemical_system": "Ba-Mg-Si",
"density": 2.9865939954286413,
"density_atomic": 0.04347763567624562,
"volume": 828.0119063527851,
"volume_molar": 13.851122919478916,
"formula_full": "Ba5 Mg18 Si13",
"formula_reduced": "Ba5Mg18Si13",
"formula_anonymous": "A5B13C18",
"energy_above_hull": 0.8596679041666665,
"spacegroup": 189
},
{
"id": "jvasp-34667",
"created_at": "2022-09-04T14:38:31.899788Z",
"updated_at": "2022-09-04T14:38:31.899814Z",
"structure_string": "Ba5 Hf4 S13\n1.0\n4.950425 0.010255 -0.573759\n-0.076774 4.949841 -0.573759\n0.165430 0.168366 23.074064\nBa Hf S\n5 4 13\ndirect\n0.710948 0.710947 0.421882 Ba\n0.607128 0.607127 0.214292 Ba\n0.289052 0.289052 0.578118 Ba\n0.500000 0.499999 -0.000000 Ba\n0.392872 0.392872 0.785707 Ba\n0.833918 0.833918 0.667855 Hf\n0.055090 0.055090 0.110235 Hf\n0.166081 0.166082 0.332145 Hf\n0.944910 0.944910 0.889765 Hf\n0.163081 0.663077 0.326139 S\n0.445505 0.945518 0.890966 S\n0.663077 0.163080 0.326139 S\n0.336923 0.836920 0.673861 S\n0.220673 0.220673 0.441325 S\n0.836919 0.336922 0.673861 S\n0.109677 0.109677 0.219348 S\n0.554495 0.054481 0.109034 S\n0.945518 0.445504 0.890966 S\n0.000000 0.000000 0.000000 S\n0.890323 0.890323 0.780651 S\n0.779327 0.779326 0.558674 S\n0.054482 0.554496 0.109034 S\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Ba",
"Hf",
"S"
],
"chemical_system": "Ba-Hf-S",
"density": 5.328498964623501,
"density_atomic": 0.038843502835992236,
"volume": 566.375285279753,
"volume_molar": 15.50359859518104,
"formula_full": "Ba5 Hf4 S13",
"formula_reduced": "Ba5Hf4S13",
"formula_anonymous": "A4B5C13",
"energy_above_hull": 2.525546447727273,
"spacegroup": 139
}
]
}