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=-nelements&page=549",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-nelements&page=547",
"results": [
{
"id": "jvasp-47635",
"created_at": "2022-09-04T14:36:34.194937Z",
"updated_at": "2022-09-04T14:36:34.194950Z",
"structure_string": "Li1 Sb1 Te3 O12\n1.0\n0.000000 4.815987 -0.009497\n8.538039 0.000000 0.000000\n0.000000 -0.031960 -5.232938\nLi Sb Te O\n1 1 3 12\ndirect\n0.500000 0.793482 0.500000 Li\n0.000000 0.902577 0.000000 Sb\n0.500000 0.583777 0.000000 Te\n0.500000 0.397961 0.500000 Te\n-0.000000 0.086759 0.500000 Te\n0.783268 0.070171 0.806575 O\n0.246234 0.248293 0.645407 O\n0.222217 0.922140 0.676783 O\n0.289145 0.572892 0.677940 O\n0.710856 0.572892 0.322061 O\n0.753767 0.248293 0.354594 O\n0.738824 0.741913 0.851224 O\n0.216732 0.070171 0.193426 O\n0.261176 0.741913 0.148777 O\n0.284503 0.418673 0.183241 O\n0.777784 0.922140 0.323218 O\n0.715497 0.418673 0.816760 O\n",
"nsites": 17,
"nelements": 4,
"elements": [
"Li",
"Sb",
"Te",
"O"
],
"chemical_system": "Li-O-Sb-Te",
"density": 5.428940873899726,
"density_atomic": 0.07900501528767952,
"volume": 215.17621303025143,
"volume_molar": 7.622479076893649,
"formula_full": "Li1 Sb1 Te3 O12",
"formula_reduced": "LiSb(TeO4)3",
"formula_anonymous": "ABC3D12",
"energy_above_hull": 2.4350800823529406,
"spacegroup": 3
},
{
"id": "jvasp-102867",
"created_at": "2022-09-04T14:36:34.164143Z",
"updated_at": "2022-09-04T14:36:34.164169Z",
"structure_string": "K2 Tb1 Cu1 Cl6\n1.0\n6.283013 -0.000000 3.627498\n2.094338 5.923681 3.627498\n0.000000 0.000000 7.254998\nTb K Cu Cl\n1 2 1 6\ndirect\n0.000000 0.000000 0.000000 Tb\n0.750000 0.750000 0.750001 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Cu\n0.744362 0.255637 0.255638 Cl\n0.255637 0.255637 0.744363 Cl\n0.255637 0.744363 0.744363 Cl\n0.255637 0.744363 0.255638 Cl\n0.744362 0.255637 0.744363 Cl\n0.744363 0.744363 0.255638 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Tb",
"K",
"Cu",
"Cl"
],
"chemical_system": "Cl-Cu-K-Tb",
"density": 3.1571568471789178,
"density_atomic": 0.03703420972404812,
"volume": 270.0206126852091,
"volume_molar": 16.261021376917707,
"formula_full": "K2 Tb1 Cu1 Cl6",
"formula_reduced": "K2TbCuCl6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-32441",
"created_at": "2022-09-04T14:36:39.470788Z",
"updated_at": "2022-09-04T14:36:39.470809Z",
"structure_string": "Sb1 S2 N1 Cl6\n1.0\n6.087097 -0.000000 3.512825\n2.590431 5.991066 2.541585\n0.014937 -0.016331 7.004453\nSb S N Cl\n1 2 1 6\ndirect\n0.000000 0.000000 0.000000 Sb\n0.500000 0.688623 0.311377 S\n0.500000 0.311378 0.688622 S\n0.500000 0.500000 0.499999 N\n0.937313 0.815257 0.815255 Cl\n-0.000000 0.696008 0.303992 Cl\n0.567826 0.184744 0.184744 Cl\n0.000000 0.303993 0.696007 Cl\n0.062688 0.184744 0.184744 Cl\n0.432175 0.815257 0.815255 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Sb",
"S",
"N",
"Cl"
],
"chemical_system": "Cl-N-S-Sb",
"density": 2.6844972009532437,
"density_atomic": 0.039180426726321695,
"volume": 255.2294815431892,
"volume_molar": 15.370278639549072,
"formula_full": "Sb1 S2 N1 Cl6",
"formula_reduced": "SbS2NCl6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 1.2988223755000003,
"spacegroup": 71
},
{
"id": "jvasp-99968",
"created_at": "2022-09-04T14:36:34.919133Z",
"updated_at": "2022-09-04T14:36:34.919168Z",
"structure_string": "Li2 Nb2 O4 F2\n1.0\n4.706328 -0.005399 2.435144\n1.831871 4.335182 2.435144\n0.011046 0.007315 5.609363\nLi Nb O F\n2 2 4 2\ndirect\n0.727462 0.331676 0.676402 Li\n0.331676 0.727461 0.176403 Li\n0.493266 0.997956 0.520095 Nb\n0.997957 0.493265 0.020096 Nb\n0.621644 0.700534 0.315164 O\n0.241989 0.358308 0.276329 O\n0.358309 0.241989 0.776329 O\n0.700535 0.621644 0.815163 O\n0.921644 0.061522 0.278004 F\n0.061522 0.921644 0.778004 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Li",
"Nb",
"O",
"F"
],
"chemical_system": "F-Li-Nb-O",
"density": 4.381600562416791,
"density_atomic": 0.08746291974933754,
"volume": 114.33416616617971,
"volume_molar": 6.885364423299638,
"formula_full": "Li2 Nb2 O4 F2",
"formula_reduced": "LiNbO2F",
"formula_anonymous": "ABCD2",
"energy_above_hull": 1.7903473364999998,
"spacegroup": 9
},
{
"id": "jvasp-91450",
"created_at": "2022-09-04T14:36:12.370662Z",
"updated_at": "2022-09-04T14:36:12.370681Z",
"structure_string": "Li4 H12 C4 O12\n1.0\n4.799316 0.000000 0.000000\n0.000000 6.281612 0.000000\n0.000000 0.000000 9.939717\nLi H C O\n4 12 4 12\ndirect\n0.727067 0.384447 0.550898 Li\n0.227066 0.884447 0.949103 Li\n0.227066 0.615553 0.449103 Li\n0.727067 0.115553 0.050898 Li\n0.626003 0.395822 0.870815 H\n0.621612 0.658024 0.208916 H\n0.850983 0.479862 0.980571 H\n0.126003 0.604178 0.129186 H\n0.621612 0.841976 0.708917 H\n0.121612 0.158024 0.291084 H\n0.121612 0.341976 0.791084 H\n0.350982 0.979862 0.519429 H\n0.126003 0.895822 0.629186 H\n0.850983 0.020138 0.480571 H\n0.350982 0.520137 0.019429 H\n0.626003 0.104178 0.370815 H\n0.743958 0.611383 0.299089 C\n0.243957 0.388617 0.700911 C\n0.743958 0.888617 0.799089 C\n0.243957 0.111383 0.200911 C\n0.006404 0.903332 0.786207 O\n0.506404 0.096667 0.213794 O\n0.176178 0.896112 0.530675 O\n0.676179 0.396113 0.969325 O\n0.112999 0.421626 0.592428 O\n0.612999 0.578373 0.407572 O\n0.176178 0.603887 0.030675 O\n0.006404 0.596667 0.286206 O\n0.612999 0.921626 0.907572 O\n0.506404 0.403332 0.713794 O\n0.676179 0.103887 0.469325 O\n0.112999 0.078374 0.092428 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Li",
"H",
"C",
"O"
],
"chemical_system": "C-H-Li-O",
"density": 1.5510277877211538,
"density_atomic": 0.10678875056013679,
"volume": 299.6570315894799,
"volume_molar": 5.639302574861295,
"formula_full": "Li4 H12 C4 O12",
"formula_reduced": "LiH3CO3",
"formula_anonymous": "ABC3D3",
"energy_above_hull": 2.9971825625,
"spacegroup": 33
},
{
"id": "jvasp-43103",
"created_at": "2022-09-04T14:36:21.661672Z",
"updated_at": "2022-09-04T14:36:21.661698Z",
"structure_string": "Ti2 Fe2 P4 O16\n1.0\n0.000000 4.888121 -0.030594\n5.881626 0.000000 0.000000\n0.000000 -0.033294 -9.858214\nTi Fe P O\n2 2 4 16\ndirect\n0.552225 0.250000 0.227710 Ti\n0.447776 0.750000 0.772289 Ti\n0.053336 0.750000 0.271451 Fe\n0.946664 0.250000 0.728548 Fe\n0.588179 0.750000 0.092035 P\n0.126202 0.250000 0.407283 P\n0.873798 0.750000 0.592716 P\n0.411822 0.250000 0.907965 P\n0.272602 0.041304 0.835564 O\n0.272602 0.458696 0.835564 O\n0.719417 0.548736 0.665685 O\n0.719417 0.951265 0.665685 O\n0.177281 0.750000 0.632590 O\n0.158196 0.250000 0.559360 O\n0.841804 0.750000 0.440639 O\n0.727398 0.541304 0.164435 O\n0.280584 0.451265 0.334314 O\n0.280584 0.048736 0.334314 O\n0.720021 0.250000 0.889544 O\n0.727398 0.958697 0.164435 O\n0.279980 0.750000 0.110455 O\n0.340933 0.250000 0.060541 O\n0.822720 0.250000 0.367409 O\n0.659068 0.750000 0.939458 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Ti",
"Fe",
"P",
"O"
],
"chemical_system": "Fe-O-P-Ti",
"density": 3.4408782835896603,
"density_atomic": 0.08467680582164933,
"volume": 283.43062503503074,
"volume_molar": 7.111912998565562,
"formula_full": "Ti2 Fe2 P4 O16",
"formula_reduced": "TiFe(PO4)2",
"formula_anonymous": "ABC2D8",
"energy_above_hull": 3.110937736111111,
"spacegroup": 11
},
{
"id": "jvasp-10690",
"created_at": "2022-09-04T14:36:34.117716Z",
"updated_at": "2022-09-04T14:36:34.117735Z",
"structure_string": "Li2 Nd2 Ti2 O8\n1.0\n3.733115 -0.000000 0.000000\n-0.000000 3.733115 -0.000000\n0.000000 -0.000000 12.180060\nLi Nd Ti O\n2 2 2 8\ndirect\n0.000000 0.000000 0.500000 Li\n0.500001 0.500001 0.500000 Li\n0.500001 0.000000 0.116619 Nd\n0.000000 0.500001 0.883381 Nd\n0.500001 0.000000 0.707249 Ti\n0.000000 0.500001 0.292751 Ti\n0.500001 0.000000 0.924344 O\n0.000000 0.500001 0.075656 O\n0.500001 0.000000 0.559599 O\n0.000000 0.500001 0.440401 O\n0.500001 0.500001 0.748641 O\n0.000000 0.000000 0.748641 O\n0.000000 0.000000 0.251358 O\n0.500001 0.500001 0.251358 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Li",
"Nd",
"Ti",
"O"
],
"chemical_system": "Li-Nd-O-Ti",
"density": 5.1466101445125805,
"density_atomic": 0.0824775725627856,
"volume": 169.7431139761367,
"volume_molar": 7.3015494671787025,
"formula_full": "Li2 Nd2 Ti2 O8",
"formula_reduced": "LiNdTiO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.11051769047619,
"spacegroup": 129
},
{
"id": "jvasp-96793",
"created_at": "2022-09-04T14:36:21.607421Z",
"updated_at": "2022-09-04T14:36:21.607440Z",
"structure_string": "Mg8 P4 Cl4 O16\n1.0\n4.831328 0.000000 0.000000\n0.000000 7.936312 0.000000\n0.000000 0.000000 10.979633\nMg P Cl O\n8 4 4 16\ndirect\n0.508116 0.162846 0.373462 Mg\n0.008115 0.837154 0.626538 Mg\n0.000514 0.401894 0.621411 Mg\n0.008115 0.662846 0.126538 Mg\n0.508116 0.337154 0.873462 Mg\n0.500514 0.901894 0.878588 Mg\n0.000514 0.098106 0.121411 Mg\n0.500514 0.598106 0.378589 Mg\n0.953034 0.120698 0.833380 P\n0.453034 0.879302 0.166620 P\n0.953034 0.379302 0.333380 P\n0.453034 0.620698 0.666620 P\n0.758704 0.878735 0.436386 Cl\n0.258704 0.121265 0.563614 Cl\n0.258704 0.378735 0.063614 Cl\n0.758704 0.621265 0.936386 Cl\n0.846691 0.959193 0.770215 O\n0.295262 0.876166 0.041554 O\n0.269991 0.120221 0.848544 O\n0.295262 0.623833 0.541554 O\n0.346590 0.720855 0.233789 O\n0.795262 0.376166 0.458445 O\n0.846691 0.540806 0.270215 O\n0.769991 0.879778 0.151456 O\n0.795262 0.123833 0.958445 O\n0.846590 0.220856 0.266210 O\n0.769991 0.620221 0.651456 O\n0.346590 0.779144 0.733789 O\n0.346690 0.459193 0.729785 O\n0.846590 0.279144 0.766210 O\n0.269991 0.379778 0.348544 O\n0.346690 0.040806 0.229785 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Mg",
"P",
"Cl",
"O"
],
"chemical_system": "Cl-Mg-O-P",
"density": 2.8247004699246823,
"density_atomic": 0.07601107921663945,
"volume": 420.991259824067,
"volume_molar": 7.922714454344577,
"formula_full": "Mg8 P4 Cl4 O16",
"formula_reduced": "Mg2PClO4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 1.2731814584375,
"spacegroup": 33
},
{
"id": "jvasp-52369",
"created_at": "2022-09-04T14:36:21.611882Z",
"updated_at": "2022-09-04T14:36:21.611892Z",
"structure_string": "Li1 Sn1 P1 O4\n1.0\n-0.000000 5.252996 -0.000000\n5.252996 0.000000 -0.000000\n2.626498 2.626498 -3.745146\nLi Sn P O\n1 1 1 4\ndirect\n0.500000 0.500000 -0.000000 Li\n0.000000 0.000000 0.000000 Sn\n0.750001 0.250000 0.500001 P\n0.073812 0.234666 0.267967 O\n0.765334 0.341778 0.732034 O\n0.658222 0.497368 0.267967 O\n0.502633 0.926189 0.732034 O\n",
"nsites": 7,
"nelements": 4,
"elements": [
"Li",
"Sn",
"P",
"O"
],
"chemical_system": "Li-O-P-Sn",
"density": 3.5449958762191014,
"density_atomic": 0.06773531378161919,
"volume": 103.34343504435844,
"volume_molar": 8.89069589227205,
"formula_full": "Li1 Sn1 P1 O4",
"formula_reduced": "LiSnPO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 1.9393201714285715,
"spacegroup": 82
},
{
"id": "jvasp-100308",
"created_at": "2022-09-04T14:36:21.585695Z",
"updated_at": "2022-09-04T14:36:21.585716Z",
"structure_string": "Cr1 Fe1 Co1 Si1\n1.0\n3.438067 -0.000000 1.984969\n1.146022 3.241441 1.984969\n-0.000000 0.000000 3.969938\nCr Fe Co Si\n1 1 1 1\ndirect\n0.250000 0.250000 0.250000 Cr\n0.000000 0.000000 0.000000 Fe\n0.500000 0.500000 0.500000 Co\n0.750000 0.750000 0.750001 Si\n",
"nsites": 4,
"nelements": 4,
"elements": [
"Cr",
"Fe",
"Co",
"Si"
],
"chemical_system": "Co-Cr-Fe-Si",
"density": 7.313666580542306,
"density_atomic": 0.09041152821689931,
"volume": 44.24214565208885,
"volume_molar": 6.660810716032526,
"formula_full": "Cr1 Fe1 Co1 Si1",
"formula_reduced": "CrFeCoSi",
"formula_anonymous": "ABCD",
"energy_above_hull": 3.5965706000000006,
"spacegroup": 216
},
{
"id": "jvasp-103556",
"created_at": "2022-09-04T14:36:38.838248Z",
"updated_at": "2022-09-04T14:36:38.838276Z",
"structure_string": "Na2 Sc1 Cu1 F6\n1.0\n5.091839 -0.000000 2.939775\n1.697280 4.800632 2.939775\n-0.000000 -0.000000 5.879549\nNa Sc Cu F\n2 1 1 6\ndirect\n0.750000 0.750000 0.749999 Na\n0.250000 0.250000 0.250000 Na\n0.000000 0.000000 0.000000 Sc\n0.500000 0.500000 0.499999 Cu\n0.758617 0.241383 0.241382 F\n0.241383 0.241383 0.758617 F\n0.241383 0.758617 0.758616 F\n0.241383 0.758617 0.241382 F\n0.758617 0.241383 0.758616 F\n0.758617 0.758617 0.241382 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Na",
"Sc",
"Cu",
"F"
],
"chemical_system": "Cu-F-Na-Sc",
"density": 3.101921421076112,
"density_atomic": 0.06957975689346597,
"volume": 143.719961760014,
"volume_molar": 8.655018397406216,
"formula_full": "Na2 Sc1 Cu1 F6",
"formula_reduced": "Na2ScCuF6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-100126",
"created_at": "2022-09-04T14:36:21.570587Z",
"updated_at": "2022-09-04T14:36:21.570612Z",
"structure_string": "Rb2 Li1 Er1 Cl6\n1.0\n6.270355 -0.000000 3.620191\n2.090118 5.911747 3.620191\n-0.000000 -0.000000 7.240381\nRb Li Er Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Er\n0.746830 0.253170 0.253170 Cl\n0.253169 0.253170 0.746830 Cl\n0.253169 0.746831 0.746830 Cl\n0.253169 0.746831 0.253169 Cl\n0.746830 0.253170 0.746830 Cl\n0.746830 0.746831 0.253169 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Li",
"Er",
"Cl"
],
"chemical_system": "Cl-Er-Li-Rb",
"density": 3.4514369836912837,
"density_atomic": 0.03725894992385387,
"volume": 268.39189028238866,
"volume_molar": 16.162937421230204,
"formula_full": "Rb2 Li1 Er1 Cl6",
"formula_reduced": "Rb2LiErCl6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
}
]
}