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=-id&page=78",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-id&page=76",
"results": [
{
"id": "jvasp-98489",
"created_at": "2022-09-04T14:36:18.721729Z",
"updated_at": "2022-09-04T14:36:18.721751Z",
"structure_string": "Tc8 O28\n1.0\n5.469602 -0.000000 0.000000\n-0.000000 7.146211 0.000000\n0.000000 0.000000 13.777176\nTc O\n8 28\ndirect\n0.798866 0.982868 0.891718 Tc\n0.798866 0.482868 0.608282 Tc\n0.298866 0.517132 0.891718 Tc\n0.701134 0.982868 0.391718 Tc\n0.298866 0.017132 0.608282 Tc\n0.201134 0.517132 0.391718 Tc\n0.701134 0.482868 0.108282 Tc\n0.201134 0.017132 0.108282 Tc\n0.935869 0.556394 0.710979 O\n0.198913 0.739564 0.876914 O\n0.564130 0.056394 0.289021 O\n0.064130 0.943605 0.210979 O\n0.064130 0.443606 0.289021 O\n0.564130 0.556394 0.210979 O\n0.435870 0.943605 0.710979 O\n0.935869 0.056394 0.789021 O\n0.698913 0.260435 0.623086 O\n0.435870 0.443606 0.789021 O\n0.551807 0.620237 0.586854 O\n0.301087 0.739564 0.376914 O\n0.051807 0.379763 0.913146 O\n0.948192 0.120237 0.413146 O\n0.448193 0.879763 0.086854 O\n0.448193 0.379763 0.413146 O\n0.948192 0.620237 0.086854 O\n0.051807 0.879763 0.586854 O\n0.301087 0.239565 0.123086 O\n0.551807 0.120237 0.913146 O\n0.500000 0.000000 0.500000 O\n0.500000 0.500000 0.000000 O\n0.000000 0.500000 0.500000 O\n0.698913 0.760435 0.876914 O\n0.198913 0.239565 0.623086 O\n0.801087 0.260435 0.123086 O\n0.000000 0.000000 0.000000 O\n0.801087 0.760435 0.376914 O\n",
"nsites": 36,
"nelements": 2,
"elements": [
"Tc",
"O"
],
"chemical_system": "O-Tc",
"density": 3.7989372131366386,
"density_atomic": 0.06685143492033109,
"volume": 538.5075136068853,
"volume_molar": 9.00824457571744,
"formula_full": "Tc8 O28",
"formula_reduced": "Tc2O7",
"formula_anonymous": "A2B7",
"energy_above_hull": 3.490059722222222,
"spacegroup": 61
},
{
"id": "jvasp-98488",
"created_at": "2022-09-04T14:36:15.137523Z",
"updated_at": "2022-09-04T14:36:15.137546Z",
"structure_string": "Li40 Tl8 O32\n1.0\n4.742515 -0.000000 0.000000\n0.000000 13.298863 0.000000\n-0.000000 0.000000 13.298863\nLi Tl O\n40 8 32\ndirect\n0.750001 0.879778 0.120222 Li\n0.816031 0.390422 0.141599 Li\n0.316030 0.141599 0.109578 Li\n0.750001 0.250000 0.750000 Li\n0.250000 0.750000 0.250000 Li\n0.250000 0.250000 0.750000 Li\n0.750001 0.750000 0.250000 Li\n0.157641 0.750000 0.750000 Li\n0.657642 0.750000 0.750000 Li\n0.842360 0.250000 0.250000 Li\n0.342359 0.250000 0.250000 Li\n0.750001 0.487964 0.512036 Li\n0.250000 0.987964 0.487964 Li\n0.250000 0.512036 0.012036 Li\n0.750001 0.012036 0.987964 Li\n0.250000 0.512036 0.487964 Li\n0.750001 0.012036 0.512036 Li\n0.750001 0.487964 0.987964 Li\n0.816031 0.109578 0.358401 Li\n0.316030 0.358401 0.390422 Li\n0.683971 0.641599 0.890422 Li\n0.683971 0.858401 0.609577 Li\n0.250000 0.379778 0.879778 Li\n0.250000 0.120222 0.620221 Li\n0.750001 0.620221 0.379778 Li\n0.250000 0.120222 0.879778 Li\n0.750001 0.620221 0.120222 Li\n0.250000 0.379778 0.620221 Li\n0.816031 0.109578 0.141599 Li\n0.816031 0.390422 0.358401 Li\n0.750001 0.879778 0.379778 Li\n0.316030 0.358401 0.109578 Li\n0.683971 0.641599 0.609577 Li\n0.183970 0.890422 0.641599 Li\n0.183970 0.609577 0.858401 Li\n0.683971 0.858401 0.890422 Li\n0.183970 0.890422 0.858401 Li\n0.183970 0.609577 0.641599 Li\n0.316030 0.141599 0.390422 Li\n0.250000 0.987964 0.012036 Li\n0.210813 0.750000 0.477000 Tl\n0.789188 0.250000 0.977000 Tl\n0.289188 0.977000 0.250000 Tl\n0.710813 0.023000 0.750000 Tl\n0.710813 0.477000 0.750000 Tl\n0.210813 0.750000 0.023000 Tl\n0.289188 0.523000 0.250000 Tl\n0.789188 0.250000 0.523000 Tl\n0.531743 0.489670 0.386362 O\n0.968258 0.613637 0.510330 O\n0.968258 0.886362 0.989670 O\n0.468258 0.510330 0.886362 O\n0.468258 0.989670 0.613637 O\n0.531743 0.010330 0.113637 O\n0.974648 0.863850 0.250000 O\n0.586019 0.250000 0.134345 O\n0.586019 0.250000 0.365654 O\n0.086019 0.365654 0.250000 O\n0.913982 0.634345 0.750000 O\n0.913982 0.865654 0.750000 O\n0.413982 0.750000 0.634345 O\n0.413982 0.750000 0.865654 O\n0.031743 0.113637 0.489670 O\n0.974648 0.636150 0.250000 O\n0.474647 0.250000 0.863850 O\n0.086019 0.134345 0.250000 O\n0.025353 0.136150 0.750000 O\n0.025353 0.363850 0.750000 O\n0.525354 0.750000 0.136150 O\n0.525354 0.750000 0.363850 O\n0.468258 0.510330 0.613637 O\n0.968258 0.886362 0.510330 O\n0.968258 0.613637 0.989670 O\n0.468258 0.989670 0.886362 O\n0.531743 0.010330 0.386362 O\n0.031743 0.386362 0.010330 O\n0.031743 0.113637 0.010330 O\n0.031743 0.386362 0.489670 O\n0.474647 0.250000 0.636150 O\n0.531743 0.489670 0.113637 O\n",
"nsites": 80,
"nelements": 3,
"elements": [
"Li",
"Tl",
"O"
],
"chemical_system": "Li-O-Tl",
"density": 4.800285630583386,
"density_atomic": 0.09537888686200348,
"volume": 838.7600509088135,
"volume_molar": 6.31391386304705,
"formula_full": "Li40 Tl8 O32",
"formula_reduced": "Li5TlO4",
"formula_anonymous": "AB4C5",
"energy_above_hull": 1.31382466,
"spacegroup": 137
},
{
"id": "jvasp-98487",
"created_at": "2022-09-04T14:36:06.451506Z",
"updated_at": "2022-09-04T14:36:06.451525Z",
"structure_string": "Ag8 P4 S14\n1.0\n6.277961 0.001224 -0.879470\n-3.036002 5.544963 -0.471534\n0.089089 -0.056535 15.931208\nAg P S\n8 4 14\ndirect\n0.204834 0.036709 0.662070 Ag\n0.795165 0.963289 0.337931 Ag\n0.125359 0.457235 0.162070 Ag\n0.193988 0.178472 0.949526 Ag\n0.728948 0.244462 0.550475 Ag\n0.806011 0.821526 0.050475 Ag\n0.271052 0.755536 0.449526 Ag\n0.874640 0.542763 0.837931 Ag\n0.563803 0.929118 0.857215 P\n0.428096 0.293411 0.357215 P\n0.436196 0.070880 0.142785 P\n0.571904 0.706587 0.642785 P\n0.469052 0.377170 0.101004 S\n0.223833 0.631951 0.601004 S\n0.530948 0.622828 0.898996 S\n0.388207 0.585950 0.323386 S\n0.250299 0.000299 0.250000 S\n0.611792 0.414048 0.676614 S\n0.182381 0.762558 0.060504 S\n0.202054 0.121876 0.439496 S\n0.817618 0.237440 0.939496 S\n0.762564 0.064821 0.176614 S\n0.749700 -0.000301 0.750000 S\n0.776166 0.368047 0.398996 S\n0.237435 0.935177 0.823386 S\n0.797945 0.878122 0.560504 S\n",
"nsites": 26,
"nelements": 3,
"elements": [
"Ag",
"P",
"S"
],
"chemical_system": "Ag-P-S",
"density": 4.297589148411602,
"density_atomic": 0.046867320412485876,
"volume": 554.7575532624938,
"volume_molar": 12.849338743922829,
"formula_full": "Ag8 P4 S14",
"formula_reduced": "Ag4P2S7",
"formula_anonymous": "A2B4C7",
"energy_above_hull": 1.6976107723076923,
"spacegroup": 15
},
{
"id": "jvasp-98485",
"created_at": "2022-09-04T14:36:05.237111Z",
"updated_at": "2022-09-04T14:36:05.237138Z",
"structure_string": "Ho4 Mn4 O12\n1.0\n5.245049 -0.000000 0.000000\n-0.000000 5.640878 0.000000\n0.000000 0.000000 7.540811\nHo Mn O\n4 4 12\ndirect\n0.980137 0.075561 0.250000 Ho\n0.519865 0.575561 0.250000 Ho\n0.019864 0.924440 0.750000 Ho\n0.480135 0.424441 0.750000 Ho\n0.499999 0.000000 0.000000 Mn\n0.000000 0.500000 0.000000 Mn\n0.000000 0.500000 0.500000 Mn\n0.499999 0.000000 0.500000 Mn\n0.388658 0.963533 0.250000 O\n0.888659 0.536468 0.750000 O\n0.694554 0.309330 0.444072 O\n0.694554 0.309330 0.055927 O\n0.194554 0.190670 0.944073 O\n0.805446 0.809329 0.444072 O\n0.305447 0.690672 0.555927 O\n0.305447 0.690672 0.944073 O\n0.805446 0.809329 0.055927 O\n0.194554 0.190670 0.555927 O\n0.111341 0.463534 0.250000 O\n0.611340 0.036468 0.750000 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Ho",
"Mn",
"O"
],
"chemical_system": "Ho-Mn-O",
"density": 7.974680357573304,
"density_atomic": 0.08964285566194097,
"volume": 223.1075734068929,
"volume_molar": 6.717926058391708,
"formula_full": "Ho4 Mn4 O12",
"formula_reduced": "HoMnO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.162542661609195,
"spacegroup": 62
},
{
"id": "jvasp-98484",
"created_at": "2022-09-04T14:36:01.755751Z",
"updated_at": "2022-09-04T14:36:01.755775Z",
"structure_string": "Tb4 Mn4 O12\n1.0\n5.286690 -0.000000 0.000000\n-0.000000 5.647393 0.000000\n0.000000 0.000000 7.587418\nTb Mn O\n4 4 12\ndirect\n0.981541 0.072210 0.250001 Tb\n0.518458 0.572210 0.250001 Tb\n0.018457 0.927789 0.750001 Tb\n0.481541 0.427789 0.750001 Tb\n0.500000 0.000000 0.000000 Mn\n0.000000 0.500000 0.000000 Mn\n0.000000 0.500000 0.500000 Mn\n0.500000 0.000000 0.500000 Mn\n0.395210 0.967506 0.250001 O\n0.895211 0.532494 0.750001 O\n0.696910 0.306513 0.446672 O\n0.696910 0.306513 0.053328 O\n0.196910 0.193487 0.946672 O\n0.803091 0.806513 0.446672 O\n0.303090 0.693486 0.553328 O\n0.303090 0.693486 0.946672 O\n0.803091 0.806513 0.053328 O\n0.196910 0.193487 0.553328 O\n0.104790 0.467506 0.250001 O\n0.604790 0.032494 0.750001 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Tb",
"Mn",
"O"
],
"chemical_system": "Mn-O-Tb",
"density": 7.678122395671563,
"density_atomic": 0.08828849808086917,
"volume": 226.53007395913227,
"volume_molar": 6.820979958775526,
"formula_full": "Tb4 Mn4 O12",
"formula_reduced": "TbMnO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.171231228275862,
"spacegroup": 62
},
{
"id": "jvasp-98483",
"created_at": "2022-09-04T14:35:57.965711Z",
"updated_at": "2022-09-04T14:35:57.965723Z",
"structure_string": "Sm12 Si8 Cl4 O32\n1.0\n6.295936 0.000000 0.000000\n-0.000000 7.045851 0.000000\n0.000000 0.000000 18.065009\nSm Si Cl O\n12 8 4 32\ndirect\n0.116324 0.200479 0.250000 Sm\n0.873525 0.481560 0.408401 Sm\n0.373524 0.018439 0.591599 Sm\n0.626476 0.981560 0.091599 Sm\n0.126476 0.518439 0.908401 Sm\n0.126476 0.518439 0.591599 Sm\n0.616324 0.299521 0.750000 Sm\n0.373524 0.018439 0.908401 Sm\n0.873525 0.481560 0.091599 Sm\n0.883677 0.799521 0.750000 Sm\n0.383676 0.700479 0.250000 Sm\n0.626476 0.981560 0.408401 Sm\n0.377963 0.472461 0.099584 Si\n0.877963 0.027539 0.900416 Si\n0.122037 0.972461 0.400416 Si\n0.622038 0.527539 0.599584 Si\n0.377963 0.472461 0.400416 Si\n0.877963 0.027539 0.599584 Si\n0.622038 0.527539 0.900416 Si\n0.122037 0.972461 0.099584 Si\n0.756339 0.446542 0.250000 Cl\n0.743662 0.946542 0.250000 Cl\n0.243662 0.553458 0.750000 Cl\n0.256338 0.053458 0.750000 Cl\n0.029415 0.840305 0.881500 O\n0.970585 0.159694 0.381500 O\n0.470585 0.340306 0.618500 O\n0.529416 0.659694 0.118500 O\n0.213714 0.485679 0.469660 O\n0.470585 0.340306 0.881500 O\n0.713714 0.014321 0.530340 O\n0.286287 0.985679 0.030340 O\n0.786287 0.514321 0.969660 O\n0.786287 0.514321 0.530340 O\n0.286287 0.985679 0.469660 O\n0.713714 0.014321 0.969660 O\n0.213714 0.485679 0.030340 O\n0.221711 0.462084 0.325374 O\n0.721711 0.037916 0.674626 O\n0.278289 0.962084 0.174626 O\n0.778290 0.537916 0.825374 O\n0.529416 0.659694 0.381500 O\n0.778290 0.537916 0.674626 O\n0.721711 0.037916 0.825374 O\n0.221711 0.462084 0.174626 O\n0.549386 0.300368 0.404501 O\n0.049386 0.199632 0.595500 O\n0.950615 0.800367 0.095499 O\n0.450615 0.699632 0.904501 O\n0.450615 0.699632 0.595500 O\n0.950615 0.800367 0.404501 O\n0.049386 0.199632 0.904501 O\n0.549386 0.300368 0.095499 O\n0.970585 0.159694 0.118500 O\n0.278289 0.962084 0.325374 O\n0.029415 0.840305 0.618500 O\n",
"nsites": 56,
"nelements": 4,
"elements": [
"Sm",
"Si",
"Cl",
"O"
],
"chemical_system": "Cl-O-Si-Sm",
"density": 5.559105746597366,
"density_atomic": 0.06988051311858547,
"volume": 801.3678993021905,
"volume_molar": 8.617768375255887,
"formula_full": "Sm12 Si8 Cl4 O32",
"formula_reduced": "Sm3Si2ClO8",
"formula_anonymous": "AB2C3D8",
"energy_above_hull": 2.4270811351785717,
"spacegroup": 62
},
{
"id": "jvasp-98482",
"created_at": "2022-09-04T14:35:53.299782Z",
"updated_at": "2022-09-04T14:35:53.299800Z",
"structure_string": "Sr2 Cu1 Cl2 O2\n1.0\n3.858918 -0.000000 -0.951349\n-0.234539 3.851784 -0.951349\n0.005732 0.006092 8.325312\nSr Cu Cl O\n2 1 2 2\ndirect\n0.608492 0.608491 0.216984 Sr\n0.391508 0.391507 0.783016 Sr\n0.000000 0.000000 0.000000 Cu\n0.184511 0.184511 0.369023 Cl\n0.815488 0.815487 0.630976 Cl\n0.500000 0.000000 -0.000000 O\n-0.000000 0.499999 -0.000000 O\n",
"nsites": 7,
"nelements": 4,
"elements": [
"Sr",
"Cu",
"Cl",
"O"
],
"chemical_system": "Cl-Cu-O-Sr",
"density": 4.583502156605083,
"density_atomic": 0.056547459338281106,
"volume": 123.78982330796228,
"volume_molar": 10.649710580229682,
"formula_full": "Sr2 Cu1 Cl2 O2",
"formula_reduced": "Sr2Cu(ClO)2",
"formula_anonymous": "AB2C2D2",
"energy_above_hull": 0.2349740292857145,
"spacegroup": 139
},
{
"id": "jvasp-98480",
"created_at": "2022-09-04T14:35:51.353315Z",
"updated_at": "2022-09-04T14:35:51.353338Z",
"structure_string": "Ba2 Fe4 S6\n1.0\n5.164670 -0.000000 -0.000000\n0.000000 6.693723 -1.477105\n-0.000000 0.172292 6.852597\nBa Fe S\n2 4 6\ndirect\n0.250000 0.320962 0.679038 Ba\n0.750000 0.679037 0.320962 Ba\n0.000000 0.854433 0.854433 Fe\n0.000000 0.145566 0.145566 Fe\n0.500000 0.145566 0.145566 Fe\n0.500000 0.854433 0.854433 Fe\n0.750000 0.178741 0.402868 S\n0.250000 0.821258 0.597132 S\n0.250000 0.402867 0.178741 S\n0.750000 0.597132 0.821258 S\n0.750000 0.112497 0.887503 S\n0.250000 0.887503 0.112496 S\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Ba",
"Fe",
"S"
],
"chemical_system": "Ba-Fe-S",
"density": 4.812786216237074,
"density_atomic": 0.05037474256743704,
"volume": 238.21461685755537,
"volume_molar": 11.954682948380562,
"formula_full": "Ba2 Fe4 S6",
"formula_reduced": "BaFe2S3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 2.0880278283333333,
"spacegroup": 63
},
{
"id": "jvasp-98477",
"created_at": "2022-09-04T14:35:49.683364Z",
"updated_at": "2022-09-04T14:35:49.683391Z",
"structure_string": "Yb20 Si16\n1.0\n7.434637 -0.000000 0.000000\n-0.000000 7.797421 0.000000\n0.000000 0.000000 15.335237\nYb Si\n20 16\ndirect\n0.817213 0.318878 0.622675 Yb\n0.317212 0.181122 0.622675 Yb\n0.817213 0.318878 0.877325 Yb\n0.182788 0.681122 0.377325 Yb\n0.682788 0.818878 0.122675 Yb\n0.970100 0.820796 0.597413 Yb\n0.470100 0.679204 0.902588 Yb\n0.682788 0.818878 0.377325 Yb\n0.529900 0.320796 0.402588 Yb\n0.029900 0.179204 0.402588 Yb\n0.529900 0.320796 0.097413 Yb\n0.470100 0.679204 0.597413 Yb\n0.970100 0.820796 0.902588 Yb\n0.359423 0.008693 0.250000 Yb\n0.859424 0.491307 0.250000 Yb\n0.029900 0.179204 0.097413 Yb\n0.182788 0.681122 0.122675 Yb\n0.640577 0.991307 0.750000 Yb\n0.317212 0.181122 0.877325 Yb\n0.140577 0.508693 0.750000 Yb\n0.360297 0.974486 0.037055 Si\n0.639703 0.025514 0.537055 Si\n0.139703 0.474486 0.962945 Si\n0.139703 0.474486 0.537055 Si\n0.639703 0.025514 0.962945 Si\n0.360297 0.974486 0.462945 Si\n0.860297 0.525514 0.037055 Si\n0.973556 0.904476 0.250000 Si\n0.526445 0.404476 0.750000 Si\n0.026445 0.095524 0.750000 Si\n0.251148 0.378097 0.250000 Si\n0.751148 0.121903 0.250000 Si\n0.248852 0.878097 0.750000 Si\n0.748853 0.621903 0.750000 Si\n0.473556 0.595524 0.250000 Si\n0.860297 0.525514 0.462945 Si\n",
"nsites": 36,
"nelements": 2,
"elements": [
"Yb",
"Si"
],
"chemical_system": "Si-Yb",
"density": 7.3037057877483385,
"density_atomic": 0.04049498630727107,
"volume": 888.9989424082364,
"volume_molar": 14.871324351870925,
"formula_full": "Yb20 Si16",
"formula_reduced": "Yb5Si4",
"formula_anonymous": "A4B5",
"energy_above_hull": 1.0747186555555552,
"spacegroup": 62
},
{
"id": "jvasp-98475",
"created_at": "2022-09-04T14:35:47.204228Z",
"updated_at": "2022-09-04T14:35:47.204246Z",
"structure_string": "Ca2 Mn2 Si4 O12\n1.0\n5.196130 -0.021263 0.999014\n1.186152 6.622948 0.601187\n-0.023994 0.025241 6.755043\nCa Mn Si O\n2 2 4 12\ndirect\n0.750001 0.302589 0.697411 Ca\n0.250000 0.697411 0.302588 Ca\n0.250000 0.095700 0.904300 Mn\n0.749999 0.904301 0.095699 Mn\n0.734105 0.805628 0.619746 Si\n0.765895 0.380255 0.194371 Si\n0.234106 0.619746 0.805628 Si\n0.265895 0.194371 0.380255 Si\n0.152404 0.786536 0.973542 O\n0.347598 0.026459 0.213464 O\n0.509603 0.326487 0.372450 O\n0.668563 0.608621 0.117800 O\n0.831435 0.882202 0.391380 O\n0.331436 0.391380 0.882201 O\n0.168564 0.117800 0.608620 O\n0.009602 0.372451 0.326487 O\n0.490398 0.673515 0.627549 O\n-0.009603 0.627550 0.673515 O\n0.847597 0.213465 0.026459 O\n0.652403 0.973542 0.786535 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Ca",
"Mn",
"Si",
"O"
],
"chemical_system": "Ca-Mn-O-Si",
"density": 3.527079927876568,
"density_atomic": 0.08593039798754981,
"volume": 232.7465072708931,
"volume_molar": 7.008161140918409,
"formula_full": "Ca2 Mn2 Si4 O12",
"formula_reduced": "CaMn(SiO3)2",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.659616586137931,
"spacegroup": 15
},
{
"id": "jvasp-98474",
"created_at": "2022-09-04T14:35:46.224622Z",
"updated_at": "2022-09-04T14:35:46.224647Z",
"structure_string": "Li1 La4 Ni1 O8\n1.0\n4.914294 0.000000 -2.024847\n0.000000 5.315423 0.000000\n0.001006 0.000000 6.978349\nLi La Ni O\n1 4 1 8\ndirect\n0.500000 0.000000 -0.000000 Li\n0.364106 0.500000 0.728212 La\n0.635894 0.500000 0.271788 La\n0.137176 0.000000 0.274353 La\n0.862824 0.000000 0.725647 La\n0.000000 0.500000 0.000000 Ni\n0.176523 0.500000 0.353046 O\n0.320248 0.000000 0.640496 O\n0.679752 0.000000 0.359504 O\n0.823477 0.500000 0.646954 O\n0.753029 0.744633 -0.000000 O\n0.246970 0.255367 -0.000000 O\n0.246970 0.744633 -0.000000 O\n0.753029 0.255367 -0.000000 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Li",
"La",
"Ni",
"O"
],
"chemical_system": "La-Li-Ni-O",
"density": 6.824946630236045,
"density_atomic": 0.07679811993345916,
"volume": 182.29612928194257,
"volume_molar": 7.841521075278685,
"formula_full": "Li1 La4 Ni1 O8",
"formula_reduced": "LiLa4NiO8",
"formula_anonymous": "ABC4D8",
"energy_above_hull": 2.2984507428571432,
"spacegroup": 65
},
{
"id": "jvasp-98473",
"created_at": "2022-09-04T14:35:44.702762Z",
"updated_at": "2022-09-04T14:35:44.702787Z",
"structure_string": "Ba2 Co2 P4 O14\n1.0\n5.337110 0.079890 -0.132058\n-0.614607 7.115121 -1.501083\n-0.099164 -0.128155 7.620346\nBa Co P O\n2 2 4 14\ndirect\n0.795589 0.227201 0.071631 Ba\n0.204412 0.772798 0.928371 Ba\n0.202170 0.613344 0.395396 Co\n0.797829 0.386655 0.604606 Co\n0.707828 0.814319 0.598215 P\n0.292171 0.185680 0.401785 P\n0.294858 0.269354 0.788439 P\n0.705141 0.730646 0.211561 P\n0.461894 0.603526 0.201916 O\n0.295888 0.152479 0.930423 O\n0.704113 0.847520 0.069578 O\n0.564903 0.267842 0.396735 O\n0.060222 0.384706 0.800692 O\n0.270949 0.123341 0.592805 O\n0.729052 0.876659 0.407196 O\n0.892836 0.654077 0.589067 O\n0.107163 0.345922 0.410933 O\n0.211381 0.017070 0.255097 O\n0.788620 0.982928 0.744903 O\n0.435098 0.732158 0.603265 O\n0.939779 0.615293 0.199309 O\n0.538105 0.396473 0.798085 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Ba",
"Co",
"P",
"O"
],
"chemical_system": "Ba-Co-O-P",
"density": 4.259659346569766,
"density_atomic": 0.07622157422526658,
"volume": 288.6321913921748,
"volume_molar": 7.9008349292315305,
"formula_full": "Ba2 Co2 P4 O14",
"formula_reduced": "BaCoP2O7",
"formula_anonymous": "ABC2D7",
"energy_above_hull": 2.630716579090909,
"spacegroup": 2
}
]
}