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=structure_string&page=433",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=structure_string&page=431",
"results": [
{
"id": "jvasp-64730",
"created_at": "2022-09-04T14:38:12.201674Z",
"updated_at": "2022-09-04T14:38:12.201700Z",
"structure_string": "Ba4 Li1 Ta1\n1.0\n0.000000 5.050172 5.050172\n5.050172 0.000000 5.050172\n5.050172 5.050172 0.000000\nBa Li Ta\n4 1 1\ndirect\n0.121943 0.626019 0.626019 Ba\n0.626019 0.626019 0.626019 Ba\n0.626019 0.121943 0.626019 Ba\n0.626019 0.626019 0.121943 Ba\n0.250000 0.250000 0.250000 Li\n0.000000 0.000000 0.000000 Ta\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Li",
"Ta"
],
"chemical_system": "Ba-Li-Ta",
"density": 4.752083698495307,
"density_atomic": 0.023291783556270457,
"volume": 257.60156947640536,
"volume_molar": 25.85521518973054,
"formula_full": "Ba4 Li1 Ta1",
"formula_reduced": "Ba4LiTa",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.3681221799999996,
"spacegroup": 216
},
{
"id": "jvasp-64126",
"created_at": "2022-09-04T14:36:12.965341Z",
"updated_at": "2022-09-04T14:36:12.965367Z",
"structure_string": "Ba4 Li1 Tc1\n1.0\n0.000000 4.900481 4.900481\n4.900481 -0.000000 4.900481\n4.900481 4.900481 -0.000000\nBa Li Tc\n4 1 1\ndirect\n0.121360 0.626213 0.626213 Ba\n0.626213 0.626213 0.626213 Ba\n0.626213 0.121360 0.626213 Ba\n0.626213 0.626213 0.121360 Ba\n0.250000 0.250000 0.250000 Li\n0.000000 0.000000 0.000000 Tc\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Li",
"Tc"
],
"chemical_system": "Ba-Li-Tc",
"density": 4.615789981628846,
"density_atomic": 0.02549207136509746,
"volume": 235.367299662236,
"volume_molar": 23.623583481118096,
"formula_full": "Ba4 Li1 Tc1",
"formula_reduced": "Ba4LiTc",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.14464423,
"spacegroup": 216
},
{
"id": "jvasp-64671",
"created_at": "2022-09-04T14:35:50.682276Z",
"updated_at": "2022-09-04T14:35:50.682295Z",
"structure_string": "Ba4 Li1 Ti1\n1.0\n0.000000 5.135485 5.135485\n5.135485 -0.000000 5.135485\n5.135485 5.135485 0.000000\nBa Li Ti\n4 1 1\ndirect\n0.122565 0.625811 0.625811 Ba\n0.625811 0.625811 0.625811 Ba\n0.625811 0.122565 0.625811 Ba\n0.625811 0.625811 0.122565 Ba\n0.250000 0.250000 0.250000 Li\n0.000000 0.000000 0.000000 Ti\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Li",
"Ti"
],
"chemical_system": "Ba-Li-Ti",
"density": 3.703352439533036,
"density_atomic": 0.02215015958769289,
"volume": 270.87840953226043,
"volume_molar": 27.187798517469968,
"formula_full": "Ba4 Li1 Ti1",
"formula_reduced": "Ba4LiTi",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.7981570355555555,
"spacegroup": 216
},
{
"id": "jvasp-64758",
"created_at": "2022-09-04T14:36:06.871462Z",
"updated_at": "2022-09-04T14:36:06.871481Z",
"structure_string": "Ba4 Li1 V1\n1.0\n-0.000000 5.076868 5.076868\n5.076868 0.000000 5.076868\n5.076868 5.076868 0.000000\nBa Li V\n4 1 1\ndirect\n0.122054 0.625983 0.625983 Ba\n0.625983 0.625983 0.625983 Ba\n0.625983 0.122054 0.625983 Ba\n0.625983 0.625983 0.122054 Ba\n0.250000 0.250000 0.250000 Li\n0.000000 0.000000 0.000000 V\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Li",
"V"
],
"chemical_system": "Ba-Li-V",
"density": 3.8526224810311196,
"density_atomic": 0.02292628249347868,
"volume": 261.7083690609973,
"volume_molar": 26.267410609255915,
"formula_full": "Ba4 Li1 V1",
"formula_reduced": "Ba4LiV",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.93386968,
"spacegroup": 216
},
{
"id": "jvasp-64096",
"created_at": "2022-09-04T14:35:52.990060Z",
"updated_at": "2022-09-04T14:35:52.990079Z",
"structure_string": "Ba4 Li1 W1\n1.0\n-0.000000 4.887125 4.887125\n4.887125 0.000000 4.887125\n4.887125 4.887125 0.000000\nBa Li W\n4 1 1\ndirect\n0.121107 0.626299 0.626299 Ba\n0.626299 0.626299 0.626299 Ba\n0.626299 0.121107 0.626299 Ba\n0.626299 0.626299 0.121107 Ba\n0.250000 0.250000 0.250000 Li\n0.000000 0.000000 0.000000 W\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Li",
"W"
],
"chemical_system": "Ba-Li-W",
"density": 5.264325194412961,
"density_atomic": 0.02570164453582603,
"volume": 233.44809674091016,
"volume_molar": 23.430954978797637,
"formula_full": "Ba4 Li1 W1",
"formula_reduced": "Ba4LiW",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.63104898,
"spacegroup": 216
},
{
"id": "jvasp-62587",
"created_at": "2022-09-04T14:35:53.505541Z",
"updated_at": "2022-09-04T14:35:53.505568Z",
"structure_string": "Ba4 Li2 B10 O20\n1.0\n0.000000 4.442765 -0.018776\n14.682084 0.000000 0.000000\n0.000000 -1.657670 -6.506141\nBa Li B O\n4 2 10 20\ndirect\n0.335424 0.910741 0.696595 Ba\n0.664577 0.410741 0.303405 Ba\n0.664577 0.089259 0.303405 Ba\n0.335424 0.589259 0.696595 Ba\n0.988143 0.750000 0.978191 Li\n0.011859 0.250000 0.021810 Li\n0.558362 0.663649 0.175747 B\n0.441639 0.163649 0.824253 B\n0.441639 0.336350 0.824253 B\n0.233121 0.250000 0.496133 B\n0.558362 0.836350 0.175747 B\n0.953157 0.420630 0.823113 B\n0.046844 0.920630 0.176887 B\n0.046844 0.579370 0.176887 B\n0.953157 0.079370 0.823113 B\n0.766880 0.750000 0.503867 B\n0.665696 0.831968 0.403624 O\n0.780894 0.354376 0.894553 O\n0.219108 0.854376 0.105447 O\n0.219108 0.645623 0.105447 O\n0.780894 0.145623 0.894553 O\n0.665696 0.668031 0.403624 O\n0.334306 0.168031 0.596377 O\n0.334306 0.331969 0.596377 O\n0.378159 0.250000 0.917291 O\n0.279053 0.413080 0.897543 O\n0.830724 0.487337 0.692062 O\n0.169277 0.987337 0.307938 O\n0.169277 0.512663 0.307938 O\n0.830724 0.012663 0.692062 O\n0.720948 0.586920 0.102457 O\n0.279053 0.086920 0.897543 O\n0.950838 0.750000 0.695461 O\n0.720948 0.913080 0.102457 O\n0.621843 0.750000 0.082710 O\n0.049164 0.250000 0.304540 O\n",
"nsites": 36,
"nelements": 4,
"elements": [
"Ba",
"Li",
"B",
"O"
],
"chemical_system": "B-Ba-Li-O",
"density": 3.874512299214354,
"density_atomic": 0.08473651493917035,
"volume": 424.84636081438157,
"volume_molar": 7.10690162832765,
"formula_full": "Ba4 Li2 B10 O20",
"formula_reduced": "Ba2Li(BO2)5",
"formula_anonymous": "AB2C5D10",
"energy_above_hull": 3.103930547592593,
"spacegroup": 11
},
{
"id": "jvasp-10695",
"created_at": "2022-09-04T14:37:12.720696Z",
"updated_at": "2022-09-04T14:37:12.720718Z",
"structure_string": "Ba4 Li2 Re2 N8\n1.0\n0.000000 6.554247 -0.015595\n6.030661 0.000000 0.000000\n0.000000 -2.552557 -7.079889\nBa Li Re N\n4 2 2 8\ndirect\n0.265984 0.250000 0.945752 Ba\n0.734017 0.750000 0.054249 Ba\n0.812216 0.750000 0.579257 Ba\n0.187784 0.250000 0.420743 Ba\n0.348630 0.750000 0.634776 Li\n0.651370 0.250000 0.365225 Li\n0.706187 0.250000 0.785433 Re\n0.293813 0.750000 0.214567 Re\n0.471772 0.506671 0.266397 N\n0.528228 0.006671 0.733603 N\n0.528228 0.493329 0.733603 N\n0.471772 0.993329 0.266397 N\n0.119872 0.750000 0.367538 N\n0.880129 0.250000 0.632463 N\n0.127907 0.750000 0.964434 N\n0.872094 0.250000 0.035567 N\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Ba",
"Li",
"Re",
"N"
],
"chemical_system": "Ba-Li-N-Re",
"density": 6.211291283122095,
"density_atomic": 0.057125947135779835,
"volume": 280.08288356200717,
"volume_molar": 10.54186593298186,
"formula_full": "Ba4 Li2 Re2 N8",
"formula_reduced": "Ba2LiReN4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 3.9220041174999993,
"spacegroup": 11
},
{
"id": "jvasp-96785",
"created_at": "2022-09-04T14:36:03.295033Z",
"updated_at": "2022-09-04T14:36:03.295050Z",
"structure_string": "Ba4 Li4 Al4 F24\n1.0\n5.403288 -0.011770 0.000000\n-0.070590 8.502301 0.000000\n0.000000 0.000000 10.074523\nBa Li Al F\n4 4 4 24\ndirect\n0.698433 0.500824 0.807897 Ba\n0.301567 0.499176 0.192103 Ba\n0.698433 0.000824 0.692102 Ba\n0.301567 -0.000824 0.307897 Ba\n0.234181 0.179797 0.915568 Li\n0.765820 0.320203 0.415568 Li\n0.765820 0.820203 0.084432 Li\n0.234181 0.679797 0.584432 Li\n0.234654 0.770170 0.915724 Al\n0.765346 0.729830 0.415724 Al\n0.765346 0.229830 0.084276 Al\n0.234654 0.270170 0.584276 Al\n0.675871 0.526465 0.403253 F\n0.378272 0.746253 0.750474 F\n0.621728 0.753746 0.250474 F\n0.621728 0.253746 0.249525 F\n0.525801 0.207832 0.507167 F\n0.474199 0.292168 0.007167 F\n0.474199 0.792168 0.492832 F\n0.525801 0.707832 0.992832 F\n0.927167 0.305936 0.646724 F\n0.324130 0.973535 0.903253 F\n0.072833 0.194064 0.146724 F\n0.927167 0.805936 0.853276 F\n0.166318 0.057641 0.589901 F\n0.833683 0.442359 0.089901 F\n0.378272 0.246253 0.749525 F\n0.166318 0.557641 0.910098 F\n0.113150 0.292269 0.413486 F\n0.886851 0.207731 0.913486 F\n0.886851 0.707731 0.586513 F\n0.113150 0.792269 0.086513 F\n0.324130 0.473535 0.596747 F\n0.675871 0.026465 0.096747 F\n0.072833 0.694064 0.353276 F\n0.833683 0.942359 0.410098 F\n",
"nsites": 36,
"nelements": 4,
"elements": [
"Ba",
"Li",
"Al",
"F"
],
"chemical_system": "Al-Ba-F-Li",
"density": 4.093626559873309,
"density_atomic": 0.07778417864376744,
"volume": 462.8190543075761,
"volume_molar": 7.742115254028632,
"formula_full": "Ba4 Li4 Al4 F24",
"formula_reduced": "BaLiAlF6",
"formula_anonymous": "ABCD6",
"energy_above_hull": 0.0,
"spacegroup": 14
},
{
"id": "jvasp-56863",
"created_at": "2022-09-04T14:37:57.582866Z",
"updated_at": "2022-09-04T14:37:57.582874Z",
"structure_string": "Ba4 Li6 Nb2 N8\n1.0\n5.681033 -0.000104 0.000035\n2.840398 5.648501 0.007530\n2.840503 0.322490 9.740222\nBa Li Nb N\n4 6 2 8\ndirect\n0.631607 0.193056 0.611458 Ba\n0.063875 0.693051 0.111458 Ba\n0.368392 0.806945 0.388542 Ba\n0.936123 0.306950 0.888542 Ba\n0.387515 0.249992 0.249991 Li\n0.529412 0.811419 0.043334 Li\n0.884176 0.688575 0.456666 Li\n0.470587 0.188581 0.956666 Li\n0.115823 0.311425 0.543334 Li\n0.612483 0.750009 0.750010 Li\n0.865413 0.249996 0.250001 Nb\n0.134586 0.750004 0.750000 Nb\n0.738157 0.005562 0.338682 N\n0.785900 0.889375 0.887549 N\n0.937159 0.389378 0.387554 N\n0.582416 0.494423 0.161318 N\n0.214099 0.110626 0.112452 N\n0.261842 0.994439 0.661318 N\n0.417582 0.505577 0.838683 N\n0.062840 0.610623 0.612446 N\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Ba",
"Li",
"Nb",
"N"
],
"chemical_system": "Ba-Li-N-Nb",
"density": 4.7222570564584565,
"density_atomic": 0.0639906509538636,
"volume": 312.5456563087588,
"volume_molar": 9.410969681089638,
"formula_full": "Ba4 Li6 Nb2 N8",
"formula_reduced": "Ba2Li3NbN4",
"formula_anonymous": "AB2C3D4",
"energy_above_hull": 3.223200434,
"spacegroup": 15
},
{
"id": "jvasp-55074",
"created_at": "2022-09-04T14:38:32.514194Z",
"updated_at": "2022-09-04T14:38:32.514219Z",
"structure_string": "Ba4 Li6 Ta2 N8\n1.0\n5.675742 0.000128 -0.000024\n2.837672 5.644427 0.007763\n2.837754 0.318950 9.736830\nBa Li Ta N\n4 6 2 8\ndirect\n0.067227 0.692634 0.111091 Ba\n0.932771 0.307367 0.888909 Ba\n0.370945 0.807369 0.388912 Ba\n0.629053 0.192632 0.611089 Ba\n0.111970 0.312216 0.544458 Li\n0.888028 0.687785 0.455542 Li\n0.468645 0.187783 0.955540 Li\n0.611316 0.750005 0.750001 Li\n0.388682 0.249996 0.249999 Li\n0.531353 0.812218 0.044460 Li\n0.867289 0.250005 0.250000 Ta\n0.132709 0.749996 0.750000 Ta\n0.938398 0.388787 0.386648 N\n0.061600 0.611214 0.613352 N\n0.741351 0.006462 0.338092 N\n0.258647 0.993539 0.661908 N\n0.585910 0.493539 0.161910 N\n0.213834 0.111223 0.113356 N\n0.414088 0.506462 0.838090 N\n0.786164 0.888778 0.886644 N\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Ba",
"Li",
"Ta",
"N"
],
"chemical_system": "Ba-Li-N-Ta",
"density": 5.669218328837494,
"density_atomic": 0.0641200545882956,
"volume": 311.91489352928244,
"volume_molar": 9.39197696986876,
"formula_full": "Ba4 Li6 Ta2 N8",
"formula_reduced": "Ba2Li3TaN4",
"formula_anonymous": "AB2C3D4",
"energy_above_hull": 3.362950414,
"spacegroup": 15
},
{
"id": "jvasp-96946",
"created_at": "2022-09-04T14:36:31.062046Z",
"updated_at": "2022-09-04T14:36:31.062072Z",
"structure_string": "Ba4 Li8 Ti24 O56\n1.0\n10.093503 0.004226 0.000000\n-3.706096 9.388486 -0.000000\n0.000000 0.000000 11.619882\nBa Li Ti O\n4 8 24 56\ndirect\n0.855088 0.855089 0.379551 Ba\n0.355088 0.355089 0.120449 Ba\n0.644911 0.644912 0.879551 Ba\n0.144911 0.144912 0.620449 Ba\n0.065546 0.444796 0.620732 Li\n0.565546 0.944796 0.879267 Li\n0.944795 0.565547 0.879267 Li\n0.055204 0.434454 0.120732 Li\n0.444795 0.065547 0.620732 Li\n0.934453 0.555205 0.379268 Li\n0.434453 0.055205 0.120732 Li\n0.555204 0.934454 0.379268 Li\n0.493844 0.274920 0.386040 Ti\n0.737536 0.262464 0.000000 Ti\n0.518933 0.740882 0.142946 Ti\n0.742911 0.242912 0.250000 Ti\n0.225080 0.006156 0.886040 Ti\n0.240881 0.018933 0.357054 Ti\n0.762464 0.237537 0.500000 Ti\n0.006156 0.225080 0.886040 Ti\n0.759118 0.981067 0.642946 Ti\n0.274920 0.493844 0.386040 Ti\n0.774920 0.993845 0.113960 Ti\n0.506156 0.725080 0.613960 Ti\n0.237536 0.762464 0.500000 Ti\n0.481067 0.259119 0.857054 Ti\n0.018933 0.240881 0.357054 Ti\n0.242911 0.742912 0.250000 Ti\n0.981066 0.759119 0.642946 Ti\n0.725080 0.506156 0.613960 Ti\n0.262464 0.737537 0.000000 Ti\n0.259119 0.481067 0.857054 Ti\n0.257088 0.757089 0.750000 Ti\n0.740881 0.518934 0.142946 Ti\n0.993844 0.774921 0.113960 Ti\n0.757088 0.257089 0.750000 Ti\n0.869673 0.133737 0.751534 O\n0.121234 0.651677 0.627768 O\n0.369673 0.633737 0.748466 O\n0.859089 0.629746 0.740951 O\n0.145559 0.623905 0.378011 O\n0.136556 0.364750 0.980918 O\n0.096016 0.096016 0.869905 O\n0.403984 0.403985 0.369905 O\n0.866124 0.133876 0.000000 O\n0.354441 0.876096 0.878011 O\n0.876095 0.354441 0.878011 O\n0.126992 0.873008 0.500000 O\n0.097485 0.097485 0.372632 O\n0.363444 0.135250 0.480918 O\n0.854441 0.376096 0.621988 O\n0.870254 0.640911 0.240951 O\n0.402514 0.402515 0.872632 O\n0.133875 0.866125 0.000000 O\n0.366263 0.630328 0.251534 O\n0.902514 0.902515 0.627367 O\n0.370255 0.140911 0.259049 O\n0.130327 0.866264 0.248466 O\n0.878766 0.348324 0.372232 O\n0.636556 0.864751 0.519082 O\n0.378766 0.848324 0.127768 O\n0.373008 0.626992 0.000000 O\n0.635250 0.863445 0.019082 O\n0.376095 0.854441 0.621988 O\n0.864750 0.636557 0.519082 O\n0.348323 0.878767 0.372232 O\n0.597485 0.597486 0.127368 O\n0.633875 0.366125 0.500000 O\n0.151676 0.621234 0.872232 O\n0.629745 0.859090 0.740951 O\n0.364750 0.136556 0.980918 O\n0.633736 0.369673 0.748466 O\n0.645559 0.123905 0.121988 O\n0.596015 0.596016 0.630094 O\n0.129745 0.359090 0.759049 O\n0.903984 0.903985 0.130094 O\n0.135250 0.363444 0.480918 O\n0.133736 0.869673 0.751534 O\n0.866264 0.130328 0.248466 O\n0.630327 0.366264 0.251534 O\n0.366124 0.633876 0.500000 O\n0.140910 0.370255 0.259049 O\n0.640910 0.870255 0.240951 O\n0.863444 0.635251 0.019082 O\n0.873008 0.126992 0.500000 O\n0.123904 0.645559 0.121988 O\n0.626992 0.373008 0.000000 O\n0.651676 0.121234 0.627768 O\n0.621234 0.151677 0.872232 O\n0.359089 0.129746 0.759049 O\n0.848323 0.378767 0.127768 O\n0.623904 0.145559 0.378011 O\n",
"nsites": 92,
"nelements": 4,
"elements": [
"Ba",
"Li",
"Ti",
"O"
],
"chemical_system": "Ba-Li-O-Ti",
"density": 3.995030944866036,
"density_atomic": 0.08353661203528248,
"volume": 1101.3135170138685,
"volume_molar": 7.208983717769752,
"formula_full": "Ba4 Li8 Ti24 O56",
"formula_reduced": "BaLi2Ti6O14",
"formula_anonymous": "AB2C6D14",
"energy_above_hull": 3.0641206508695653,
"spacegroup": 64
},
{
"id": "jvasp-52488",
"created_at": "2022-09-04T14:36:38.376676Z",
"updated_at": "2022-09-04T14:36:38.376692Z",
"structure_string": "Ba4 Lu8 O16\n1.0\n3.380688 0.000000 0.000000\n-0.000000 10.312217 0.000000\n0.000000 0.000000 11.917885\nBa Lu O\n4 8 16\ndirect\n0.250000 0.753417 0.349609 Ba\n0.750000 0.746583 0.849609 Ba\n0.250000 0.253417 0.150391 Ba\n0.750000 0.246583 0.650390 Ba\n0.750000 0.077840 0.392416 Lu\n0.750000 0.072166 0.889911 Lu\n0.250000 0.422161 0.892415 Lu\n0.250000 0.427834 0.389911 Lu\n0.750000 0.572166 0.610089 Lu\n0.250000 0.927834 0.110089 Lu\n0.250000 0.922161 0.607584 Lu\n0.750000 0.577840 0.107584 Lu\n0.750000 0.480926 0.782508 O\n0.250000 0.112233 0.516804 O\n0.250000 0.209492 0.847387 O\n0.750000 0.290508 0.347388 O\n0.750000 0.387767 0.016804 O\n0.250000 0.431604 0.573618 O\n0.250000 0.519074 0.217491 O\n0.250000 0.931604 0.926382 O\n0.250000 0.612233 0.983195 O\n0.250000 0.709492 0.652612 O\n0.750000 0.790508 0.152612 O\n0.750000 0.887767 0.483195 O\n0.750000 0.068397 0.073618 O\n0.750000 0.980926 0.717491 O\n0.750000 0.568397 0.426382 O\n0.250000 0.019074 0.282508 O\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Ba",
"Lu",
"O"
],
"chemical_system": "Ba-Lu-O",
"density": 8.812682844971171,
"density_atomic": 0.06739096969878701,
"volume": 415.4859341711473,
"volume_molar": 8.93612421206694,
"formula_full": "Ba4 Lu8 O16",
"formula_reduced": "BaLu2O4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.4476102099999997,
"spacegroup": 62
}
]
}