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=density&page=1183",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=density&page=1181",
"results": [
{
"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-20470",
"created_at": "2022-09-04T14:37:43.920758Z",
"updated_at": "2022-09-04T14:37:43.920788Z",
"structure_string": "Nd1 Al4\n1.0\n3.987604 0.000000 -1.580480\n-0.626420 3.938094 -1.580480\n0.246441 0.288740 6.442447\nNd Al\n1 4\ndirect\n0.000000 0.000000 0.000000 Nd\n0.611468 0.611468 0.222936 Al\n0.250000 0.749999 0.500000 Al\n0.749999 0.250000 0.500000 Al\n0.388531 0.388531 0.777064 Al\n",
"nsites": 5,
"nelements": 2,
"elements": [
"Nd",
"Al"
],
"chemical_system": "Al-Nd",
"density": 3.995227538479708,
"density_atomic": 0.04770591011088369,
"volume": 104.80881694486933,
"volume_molar": 12.623468970621527,
"formula_full": "Nd1 Al4",
"formula_reduced": "NdAl4",
"formula_anonymous": "AB4",
"energy_above_hull": 1.71856054,
"spacegroup": 139
},
{
"id": "jvasp-13751",
"created_at": "2022-09-04T14:37:04.401235Z",
"updated_at": "2022-09-04T14:37:04.401260Z",
"structure_string": "Nd1 Al4\n1.0\n3.987604 0.000000 -1.580480\n-0.626420 3.938094 -1.580480\n0.246441 0.288740 6.442447\nNd Al\n1 4\ndirect\n0.000000 0.000000 0.000000 Nd\n0.611468 0.611468 0.222936 Al\n0.250000 0.749999 0.500000 Al\n0.749999 0.250000 0.500000 Al\n0.388531 0.388531 0.777064 Al\n",
"nsites": 5,
"nelements": 2,
"elements": [
"Nd",
"Al"
],
"chemical_system": "Al-Nd",
"density": 3.995227538479708,
"density_atomic": 0.04770591011088369,
"volume": 104.80881694486933,
"volume_molar": 12.623468970621527,
"formula_full": "Nd1 Al4",
"formula_reduced": "NdAl4",
"formula_anonymous": "AB4",
"energy_above_hull": 1.71856054,
"spacegroup": 139
},
{
"id": "jvasp-115920",
"created_at": "2022-09-04T14:38:40.236505Z",
"updated_at": "2022-09-04T14:38:40.236523Z",
"structure_string": "Rb1 Pd1 Cl1\n1.0\n4.494613 -0.886180 0.000000\n-1.153995 5.941931 0.000000\n0.000000 0.000000 3.678667\nRb Pd Cl\n1 1 1\ndirect\n0.108811 0.442541 0.000000 Rb\n-0.169277 -0.113220 0.000000 Pd\n0.388271 0.002241 0.000000 Cl\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Rb",
"Pd",
"Cl"
],
"chemical_system": "Cl-Pd-Rb",
"density": 3.99551518195209,
"density_atomic": 0.03175174211062993,
"volume": 94.48300472923192,
"volume_molar": 18.966331796906008,
"formula_full": "Rb1 Pd1 Cl1",
"formula_reduced": "RbPdCl",
"formula_anonymous": "ABC",
"energy_above_hull": 0.1638780916666667,
"spacegroup": 38
},
{
"id": "jvasp-98086",
"created_at": "2022-09-04T14:35:45.052269Z",
"updated_at": "2022-09-04T14:35:45.052297Z",
"structure_string": "Ba4 Na2 Ca1 Ti3 Si4 S2 O26\n1.0\n5.448050 0.003106 -0.459791\n-0.095689 7.084608 -1.104709\n0.024422 0.025087 14.759913\nBa Na Ca Ti Si S O\n4 2 1 3 4 2 26\ndirect\n0.415060 0.167827 0.618901 Ba\n0.933045 0.704918 0.705194 Ba\n0.001518 0.996448 0.016279 Ba\n0.483234 0.458242 0.930332 Ba\n0.708850 0.577144 0.317726 Na\n0.207903 0.317827 0.318120 Na\n0.209770 0.856863 0.317493 Ca\n0.391019 0.643591 0.520381 Ti\n0.709211 0.093660 0.318054 Ti\n0.025519 0.520693 0.114877 Ti\n0.529373 0.241088 0.128412 Si\n0.885816 0.922871 0.508026 Si\n0.530708 0.804939 0.125376 Si\n0.887422 0.358462 0.509195 Si\n0.953091 0.283132 0.795009 S\n0.462878 0.880151 0.840528 S\n0.247871 0.785142 0.872329 O\n0.168290 0.377799 0.763172 O\n0.546625 0.838391 0.235861 O\n0.967334 0.051335 0.242995 O\n0.271880 0.696922 0.078779 O\n0.546153 0.273679 0.238897 O\n0.368960 0.611867 0.403810 O\n0.439578 0.850921 0.737388 O\n0.692385 0.785237 0.872113 O\n0.870843 0.889355 0.397665 O\n0.451174 0.096092 0.393233 O\n0.762292 0.323091 0.081790 O\n0.047602 0.562740 0.231423 O\n0.976187 0.312747 0.898191 O\n0.870492 0.324090 0.398571 O\n0.654220 0.841368 0.555408 O\n0.143267 0.841865 0.553749 O\n0.273073 0.322291 0.082551 O\n0.763649 0.695940 0.076947 O\n0.653147 0.467521 0.556715 O\n0.145114 0.466793 0.555805 O\n0.471634 0.081469 0.879648 O\n0.943911 0.081757 0.756123 O\n0.899998 0.153545 0.551020 O\n0.723819 0.378245 0.763298 O\n0.516876 0.010869 0.084514 O\n",
"nsites": 42,
"nelements": 7,
"elements": [
"Ba",
"Na",
"Ca",
"Ti",
"Si",
"S",
"O"
],
"chemical_system": "Ba-Ca-Na-O-S-Si-Ti",
"density": 3.9957652648864115,
"density_atomic": 0.07369342661798843,
"volume": 569.9287158638906,
"volume_molar": 8.171883214519987,
"formula_full": "Ba4 Na2 Ca1 Ti3 Si4 S2 O26",
"formula_reduced": "Ba4Na2CaTi3Si4(SO13)2",
"formula_anonymous": "AB2C2D3E4F4G26",
"energy_above_hull": 2.642633873809524,
"spacegroup": 1
},
{
"id": "jvasp-107724",
"created_at": "2022-09-04T14:38:48.149540Z",
"updated_at": "2022-09-04T14:38:48.149568Z",
"structure_string": "Zn4 Fe1 S5\n1.0\n3.800460 0.002022 15.360699\n1.873715 3.306463 15.360699\n0.003468 0.002022 15.823860\nZn Fe S\n4 1 5\ndirect\n0.000341 0.000341 0.000341 Zn\n0.600028 0.600027 0.600029 Zn\n0.199726 0.199726 0.199726 Zn\n0.799407 0.799405 0.799409 Zn\n0.400393 0.400393 0.400394 Fe\n0.950268 0.950266 0.950270 S\n0.549985 0.549984 0.549986 S\n0.149694 0.149694 0.149694 S\n0.749254 0.749252 0.749255 S\n0.350905 0.350904 0.350906 S\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Zn",
"Fe",
"S"
],
"chemical_system": "Fe-S-Zn",
"density": 3.9960878151921464,
"density_atomic": 0.05036563651508002,
"volume": 198.5480715012088,
"volume_molar": 11.956844342068239,
"formula_full": "Zn4 Fe1 S5",
"formula_reduced": "Zn4FeS5",
"formula_anonymous": "AB4C5",
"energy_above_hull": 0.7153807099999999,
"spacegroup": 160
},
{
"id": "jvasp-40945",
"created_at": "2022-09-04T14:37:36.806996Z",
"updated_at": "2022-09-04T14:37:36.807021Z",
"structure_string": "K1 Na2 Bi1\n1.0\n-0.000000 3.938570 3.938570\n3.938570 0.000000 3.938570\n3.938570 3.938570 -0.000000\nK Na Bi\n1 2 1\ndirect\n0.750000 0.750000 0.750000 K\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Na\n0.250000 0.250000 0.250000 Bi\n",
"nsites": 4,
"nelements": 3,
"elements": [
"K",
"Na",
"Bi"
],
"chemical_system": "Bi-K-Na",
"density": 3.9961036794887255,
"density_atomic": 0.03273514658266055,
"volume": 122.19282384758759,
"volume_molar": 18.396559626801434,
"formula_full": "K1 Na2 Bi1",
"formula_reduced": "KNa2Bi",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-97532",
"created_at": "2022-09-04T14:35:44.359429Z",
"updated_at": "2022-09-04T14:35:44.359453Z",
"structure_string": "Ba4 Zn2 H12 O12\n1.0\n6.557615 0.000000 -0.597324\n0.000000 5.737722 0.000000\n-0.918860 0.000000 9.848841\nBa Zn H O\n4 2 12 12\ndirect\n0.043701 0.502808 0.280714 Ba\n0.543700 -0.002809 0.780715 Ba\n-0.043701 0.497191 0.719285 Ba\n0.456299 0.002809 0.219286 Ba\n0.500000 0.500000 0.000000 Zn\n-0.000000 0.000000 0.500000 Zn\n0.754351 0.813031 0.106076 H\n0.254352 0.686968 0.606076 H\n0.245648 0.186969 0.893924 H\n0.037705 0.783882 0.988672 H\n0.537705 0.716117 0.488673 H\n0.745648 0.313031 0.393925 H\n0.462294 0.283882 0.511328 H\n-0.135091 0.288473 -0.002441 H\n0.364909 0.211527 0.497559 H\n0.135091 0.711526 0.002441 H\n0.635091 0.788473 0.502441 H\n-0.037705 0.216117 0.011328 H\n0.846330 0.290023 0.479987 O\n0.346330 0.209977 -0.020013 O\n0.581725 0.484198 0.774593 O\n0.081725 0.015802 0.274593 O\n0.418275 0.515802 0.225408 O\n0.629925 0.417398 0.216937 O\n0.129926 0.082601 0.716937 O\n0.870074 0.917398 0.283063 O\n0.370074 0.582601 0.783063 O\n0.653669 0.790023 0.020013 O\n-0.081725 -0.015802 0.725407 O\n0.153670 0.709977 0.520013 O\n",
"nsites": 30,
"nelements": 4,
"elements": [
"Ba",
"Zn",
"H",
"O"
],
"chemical_system": "Ba-H-O-Zn",
"density": 3.9961564632692257,
"density_atomic": 0.08165019288917297,
"volume": 367.42105484943784,
"volume_molar": 7.375537701636651,
"formula_full": "Ba4 Zn2 H12 O12",
"formula_reduced": "Ba2Zn(HO)6",
"formula_anonymous": "AB2C6D6",
"energy_above_hull": 2.2289688893333333,
"spacegroup": 14
},
{
"id": "jvasp-36448",
"created_at": "2022-09-04T14:37:15.896052Z",
"updated_at": "2022-09-04T14:37:15.896062Z",
"structure_string": "Sr3 N2\n1.0\n4.944071 -0.000000 0.000000\n0.000000 4.944071 0.000000\n-0.000000 0.000000 4.944071\nSr N\n3 2\ndirect\n0.000000 0.500000 0.500000 Sr\n0.500000 0.000000 0.500000 Sr\n0.500000 0.500000 0.000000 Sr\n0.000000 0.000000 0.000000 N\n0.500000 0.500000 0.500000 N\n",
"nsites": 5,
"nelements": 2,
"elements": [
"Sr",
"N"
],
"chemical_system": "N-Sr",
"density": 3.9966766043033974,
"density_atomic": 0.04137289468825864,
"volume": 120.85207084673648,
"volume_molar": 14.55576363553079,
"formula_full": "Sr3 N2",
"formula_reduced": "Sr3N2",
"formula_anonymous": "A2B3",
"energy_above_hull": 1.799029086,
"spacegroup": 221
},
{
"id": "jvasp-108190",
"created_at": "2022-09-04T14:38:11.696430Z",
"updated_at": "2022-09-04T14:38:11.696457Z",
"structure_string": "Rb2 Fe2 O4\n1.0\n5.095251 -0.000000 2.941750\n1.698418 4.803847 2.941750\n-0.000000 -0.000000 5.883493\nRb Fe O\n2 2 4\ndirect\n0.500000 0.500000 0.500000 Rb\n0.750000 0.750001 0.749999 Rb\n0.250000 0.249999 0.250000 Fe\n0.000000 1.000000 -0.000000 Fe\n0.124999 0.125000 0.124999 O\n0.124999 0.125000 0.625002 O\n0.124999 0.625002 0.124999 O\n0.625002 0.125000 0.124999 O\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Rb",
"Fe",
"O"
],
"chemical_system": "Fe-O-Rb",
"density": 3.9968397314258186,
"density_atomic": 0.055552037985050734,
"volume": 144.00911812007385,
"volume_molar": 10.840539750531892,
"formula_full": "Rb2 Fe2 O4",
"formula_reduced": "RbFeO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.4662856249999998,
"spacegroup": 227
},
{
"id": "jvasp-48724",
"created_at": "2022-09-04T14:35:47.557163Z",
"updated_at": "2022-09-04T14:35:47.557182Z",
"structure_string": "Li2 Ti2 O4\n1.0\n2.868045 -0.000152 0.000071\n-1.433931 2.483934 0.000062\n-0.000042 -0.000236 10.124740\nLi Ti O\n2 2 4\ndirect\n0.000151 0.999516 0.000040 Li\n0.000161 0.999474 0.500053 Li\n0.667029 0.333114 0.750048 Ti\n0.333264 0.665953 0.250046 Ti\n0.666608 0.332635 0.128373 O\n0.666613 0.332641 0.371719 O\n0.333684 0.666423 0.871723 O\n0.333679 0.666427 0.628374 O\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Li",
"Ti",
"O"
],
"chemical_system": "Li-O-Ti",
"density": 3.9970191969303484,
"density_atomic": 0.11091579107929338,
"volume": 72.12679026272123,
"volume_molar": 5.429471044113808,
"formula_full": "Li2 Ti2 O4",
"formula_reduced": "LiTiO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.625563833333333,
"spacegroup": 194
},
{
"id": "jvasp-57726",
"created_at": "2022-09-04T14:38:05.227780Z",
"updated_at": "2022-09-04T14:38:05.227807Z",
"structure_string": "Mg4 Si4 O12\n1.0\n4.815167 -0.000000 0.000000\n-0.000000 4.973330 0.000000\n0.000000 0.000000 6.966198\nMg Si O\n4 4 12\ndirect\n0.514870 0.556643 0.250000 Mg\n0.014870 0.943357 0.750000 Mg\n0.985131 0.056643 0.250000 Mg\n0.485130 0.443357 0.750000 Mg\n0.500000 0.000000 0.500000 Si\n0.000000 0.500000 0.500000 Si\n0.000000 0.500000 0.000000 Si\n0.500000 0.000000 0.000000 Si\n0.605034 0.035812 0.750000 O\n0.105034 0.464188 0.250000 O\n0.195613 0.200986 0.554248 O\n0.695613 0.299014 0.445752 O\n0.304388 0.700986 0.945752 O\n0.695613 0.299014 0.054248 O\n0.804388 0.799014 0.445752 O\n0.304388 0.700986 0.554248 O\n0.394967 0.964188 0.250000 O\n0.195613 0.200986 0.945752 O\n0.804388 0.799014 0.054248 O\n0.894967 0.535812 0.750000 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Mg",
"Si",
"O"
],
"chemical_system": "Mg-O-Si",
"density": 3.9970490114052177,
"density_atomic": 0.11988795441926937,
"volume": 166.8224309679725,
"volume_molar": 5.0231408060725675,
"formula_full": "Mg4 Si4 O12",
"formula_reduced": "MgSiO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.4596576300000002,
"spacegroup": 62
}
]
}