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=-created_at&page=520",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-created_at&page=518",
"results": [
{
"id": "jvasp-115874",
"created_at": "2022-09-04T14:38:39.984474Z",
"updated_at": "2022-09-04T14:38:39.984501Z",
"structure_string": "Pb2 I2 Cl2\n1.0\n4.701744 0.000000 0.000000\n0.000000 4.701744 0.000000\n0.000000 -0.000000 8.415489\nPb I Cl\n2 2 2\ndirect\n0.000000 0.500000 0.780397 Pb\n0.500000 0.000000 0.219603 Pb\n0.500000 0.000000 0.639570 I\n0.000000 0.500000 0.360431 I\n0.000000 0.000000 0.000000 Cl\n0.500000 0.500000 0.000000 Cl\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Pb",
"I",
"Cl"
],
"chemical_system": "Cl-I-Pb",
"density": 6.597262485196755,
"density_atomic": 0.03225179834431597,
"volume": 186.03613776648317,
"volume_molar": 18.672263467941896,
"formula_full": "Pb2 I2 Cl2",
"formula_reduced": "PbICl",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0009933333333333,
"spacegroup": 129
},
{
"id": "jvasp-110736",
"created_at": "2022-09-04T14:38:39.983104Z",
"updated_at": "2022-09-04T14:38:39.983132Z",
"structure_string": "Ta2 O5\n1.0\n5.132060 -0.182271 2.076006\n-0.340946 5.123965 2.076006\n0.217727 0.224570 3.830694\nTa O\n2 5\ndirect\n0.200247 0.231471 0.970031 Ta\n0.768528 0.799754 0.029969 Ta\n0.484801 0.515199 0.500000 O\n-0.015155 0.515942 -0.000607 O\n0.864378 0.895858 0.393740 O\n0.104143 0.135622 0.606261 O\n0.484059 0.015155 0.000608 O\n",
"nsites": 7,
"nelements": 2,
"elements": [
"Ta",
"O"
],
"chemical_system": "O-Ta",
"density": 7.679880947793931,
"density_atomic": 0.07326331138022725,
"volume": 95.54577684416819,
"volume_molar": 8.219858816844704,
"formula_full": "Ta2 O5",
"formula_reduced": "Ta2O5",
"formula_anonymous": "A2B5",
"energy_above_hull": 3.7248137,
"spacegroup": 12
},
{
"id": "jvasp-34134",
"created_at": "2022-09-04T14:38:39.982950Z",
"updated_at": "2022-09-04T14:38:39.982975Z",
"structure_string": "Te7 Mo8 S9\n1.0\n-1.842386 -2.802569 -0.000059\n0.107490 -0.070510 14.266992\n-7.719368 9.088451 -0.102039\nTe Mo S\n7 8 9\ndirect\n0.812428 0.606972 0.812439 Te\n0.039163 0.600069 0.539182 Te\n0.544293 0.893469 0.044278 Te\n0.453155 0.400629 0.953139 Te\n0.320946 0.886149 0.320935 Te\n0.179846 0.119176 0.179855 Te\n0.955003 0.110804 0.455015 Te\n0.364426 0.243916 0.364424 Mo\n0.857513 0.266597 0.857512 Mo\n0.887469 0.745846 0.387474 Mo\n0.117688 0.253064 0.617691 Mo\n0.386837 0.747209 0.886832 Mo\n0.612291 0.258915 0.112285 Mo\n0.137561 0.761182 0.137562 Mo\n0.636445 0.733495 0.636445 Mo\n0.292087 0.648201 0.292104 S\n0.208415 0.356915 0.208396 S\n0.560310 0.654809 0.060322 S\n0.946261 0.349095 0.446247 S\n0.064115 0.839865 0.564106 S\n0.702764 0.149810 0.702777 S\n0.688050 0.365593 0.688037 S\n0.796517 0.845377 0.796500 S\n0.436440 0.162837 0.936448 S\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Te",
"Mo",
"S"
],
"chemical_system": "Mo-S-Te",
"density": 5.91212268869155,
"density_atomic": 0.04383548191872779,
"volume": 547.5016801342956,
"volume_molar": 13.7380507671051,
"formula_full": "Te7 Mo8 S9",
"formula_reduced": "Te7Mo8S9",
"formula_anonymous": "A7B8C9",
"energy_above_hull": 3.766038398611111,
"spacegroup": 6
},
{
"id": "jvasp-115810",
"created_at": "2022-09-04T14:38:39.974665Z",
"updated_at": "2022-09-04T14:38:39.974686Z",
"structure_string": "Ca1 Y1 O1\n1.0\n3.261800 1.481705 0.000000\n0.434755 7.525519 0.000000\n0.000000 0.000000 3.585789\nCa Y O\n1 1 1\ndirect\n-0.035689 -0.109570 0.000000 Ca\n-0.018794 0.378980 0.000000 Y\n0.282951 0.075375 0.000000 O\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ca",
"Y",
"O"
],
"chemical_system": "Ca-O-Y",
"density": 2.808909810139724,
"density_atomic": 0.03500194042688099,
"volume": 85.70953391189829,
"volume_molar": 17.20516258971483,
"formula_full": "Ca1 Y1 O1",
"formula_reduced": "CaYO",
"formula_anonymous": "ABC",
"energy_above_hull": 0.8886564566666666,
"spacegroup": 25
},
{
"id": "jvasp-110510",
"created_at": "2022-09-04T14:38:39.972087Z",
"updated_at": "2022-09-04T14:38:39.972107Z",
"structure_string": "Sr3 Nb1 O6\n1.0\n5.310626 -0.000000 3.066092\n1.770209 5.006907 3.066092\n-0.000000 -0.000000 6.132183\nSr Nb O\n3 1 6\ndirect\n0.250000 0.250000 0.250000 Sr\n0.750000 0.750001 0.749999 Sr\n0.500000 0.500000 0.499999 Sr\n0.000000 0.000000 0.000000 Nb\n0.769844 0.230157 0.230156 O\n0.230157 0.769844 0.769842 O\n0.230157 0.769844 0.230156 O\n0.769844 0.230157 0.769842 O\n0.230157 0.230157 0.769843 O\n0.769844 0.769844 0.230156 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Sr",
"Nb",
"O"
],
"chemical_system": "Nb-O-Sr",
"density": 4.600755942679727,
"density_atomic": 0.06132953205839256,
"volume": 163.0535838831916,
"volume_molar": 9.819316335670472,
"formula_full": "Sr3 Nb1 O6",
"formula_reduced": "Sr3NbO6",
"formula_anonymous": "AB3C6",
"energy_above_hull": 1.916328933,
"spacegroup": 225
},
{
"id": "jvasp-112381",
"created_at": "2022-09-04T14:38:39.971714Z",
"updated_at": "2022-09-04T14:38:39.971736Z",
"structure_string": "Al4 In1 Ag1 Te8\n1.0\n7.399828 -0.061981 0.017665\n-2.159840 7.077880 0.017665\n-0.000154 -0.000206 8.760142\nAl In Ag Te\n4 1 1 8\ndirect\n0.987760 0.012240 0.500000 Al\n0.512205 0.487795 0.000001 Al\n0.989894 0.488840 0.754489 Al\n0.511160 0.010106 0.245512 Al\n0.503319 0.496681 0.500000 In\n0.996823 0.003178 0.000001 Ag\n0.392755 0.117599 0.988002 Te\n0.907436 0.631004 0.486756 Te\n0.882400 0.607246 0.011999 Te\n0.368996 0.092564 0.513245 Te\n0.879224 0.158244 0.258279 Te\n0.372260 0.645982 0.765407 Te\n0.841756 0.120776 0.741722 Te\n0.354018 0.627741 0.234594 Te\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Al",
"In",
"Ag",
"Te"
],
"chemical_system": "Ag-Al-In-Te",
"density": 4.903570549581796,
"density_atomic": 0.03059169082354802,
"volume": 457.64060838453133,
"volume_molar": 19.685544008454883,
"formula_full": "Al4 In1 Ag1 Te8",
"formula_reduced": "Al4InAgTe8",
"formula_anonymous": "ABC4D8",
"energy_above_hull": 1.1422186116666668,
"spacegroup": 5
},
{
"id": "jvasp-115861",
"created_at": "2022-09-04T14:38:39.968790Z",
"updated_at": "2022-09-04T14:38:39.968809Z",
"structure_string": "Hf1 N1 Cl2\n1.0\n3.183796 0.000000 -0.000000\n0.000000 3.183796 0.000000\n-0.000000 0.000000 7.310834\nHf N Cl\n1 1 2\ndirect\n0.500000 0.500000 0.746187 Hf\n0.000000 0.000000 0.763180 N\n0.000000 0.000000 0.437975 Cl\n0.500000 0.500000 0.062657 Cl\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Hf",
"N",
"Cl"
],
"chemical_system": "Cl-Hf-N",
"density": 5.902172949881589,
"density_atomic": 0.05397623685153493,
"volume": 74.10668533640562,
"volume_molar": 11.157022258821566,
"formula_full": "Hf1 N1 Cl2",
"formula_reduced": "HfNCl2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.45405109625,
"spacegroup": 99
},
{
"id": "jvasp-114169",
"created_at": "2022-09-04T14:38:39.968060Z",
"updated_at": "2022-09-04T14:38:39.968093Z",
"structure_string": "Ca1 N1\n1.0\n3.909280 0.000000 0.000000\n-1.954640 3.385536 -0.000000\n-0.000000 -0.000000 3.759307\nCa N\n1 1\ndirect\n0.000000 0.000000 0.000000 Ca\n0.333333 0.666668 0.000000 N\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ca",
"N"
],
"chemical_system": "Ca-N",
"density": 1.8050594718154214,
"density_atomic": 0.04019740230860214,
"volume": 49.75445887387617,
"volume_molar": 14.98141773880567,
"formula_full": "Ca1 N1",
"formula_reduced": "CaN",
"formula_anonymous": "AB",
"energy_above_hull": 1.6471718349999998,
"spacegroup": 187
},
{
"id": "jvasp-5545",
"created_at": "2022-09-04T14:38:39.967863Z",
"updated_at": "2022-09-04T14:38:39.967882Z",
"structure_string": "W2 S16 Cl12\n1.0\n7.934060 0.000255 -0.060608\n-0.015015 7.954894 -0.060661\n-2.326220 -1.484950 12.031917\nW S Cl\n2 16 12\ndirect\n0.712505 0.224145 0.894401 W\n0.287496 0.775854 0.105599 W\n0.379436 0.508368 0.598211 S\n0.620565 0.491631 0.401789 S\n0.762053 0.598650 0.302520 S\n0.019944 0.590118 0.374620 S\n0.980057 0.409881 0.625380 S\n0.122714 0.383397 0.294426 S\n0.877287 0.616602 0.705574 S\n0.237948 0.401349 0.697480 S\n0.870318 0.815571 0.610986 S\n0.917759 0.025733 0.324006 S\n0.082242 0.974266 0.675994 S\n0.728503 0.085215 0.415942 S\n0.271498 0.914784 0.584058 S\n0.555291 0.242932 0.333627 S\n0.444709 0.757067 0.666373 S\n0.129683 0.184428 0.389014 S\n0.007383 0.687582 0.100190 Cl\n0.992618 0.312416 0.899810 Cl\n0.372503 0.497423 0.105176 Cl\n0.627498 0.502576 0.894824 Cl\n0.567467 0.864190 0.110692 Cl\n0.240113 0.742600 0.914236 Cl\n0.342259 0.811797 0.298388 Cl\n0.657742 0.188202 0.701612 Cl\n0.759888 0.257399 0.085764 Cl\n0.801425 0.947116 0.893780 Cl\n0.432534 0.135809 0.889309 Cl\n0.198576 0.052883 0.106220 Cl\n",
"nsites": 30,
"nelements": 3,
"elements": [
"W",
"S",
"Cl"
],
"chemical_system": "Cl-S-W",
"density": 2.863067455124102,
"density_atomic": 0.03960123115330187,
"volume": 757.5522054823455,
"volume_molar": 15.20695338154376,
"formula_full": "W2 S16 Cl12",
"formula_reduced": "W(S4Cl3)2",
"formula_anonymous": "AB6C8",
"energy_above_hull": 1.9296389603333337,
"spacegroup": 2
},
{
"id": "jvasp-114140",
"created_at": "2022-09-04T14:38:39.958919Z",
"updated_at": "2022-09-04T14:38:39.958935Z",
"structure_string": "Sn1 C1 I1\n1.0\n5.147516 0.000000 0.000000\n-2.573758 4.457879 -0.000000\n0.000000 -0.000000 3.432895\nSn C I\n1 1 1\ndirect\n0.666667 0.333333 0.000000 Sn\n0.000000 0.000000 0.000000 C\n0.333333 0.666667 0.000000 I\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Sn",
"C",
"I"
],
"chemical_system": "C-I-Sn",
"density": 5.430638413267321,
"density_atomic": 0.03808331571716461,
"volume": 78.77465350654496,
"volume_molar": 15.813068391221378,
"formula_full": "Sn1 C1 I1",
"formula_reduced": "SnCI",
"formula_anonymous": "ABC",
"energy_above_hull": 2.495409325,
"spacegroup": 187
},
{
"id": "jvasp-106255",
"created_at": "2022-09-04T14:38:39.955988Z",
"updated_at": "2022-09-04T14:38:39.956008Z",
"structure_string": "Li2 Sc1 In1\n1.0\n4.024046 0.000000 2.323284\n1.341348 3.793907 2.323284\n0.000000 0.000000 4.646568\nLi Sc In\n2 1 1\ndirect\n0.250000 0.250000 0.249999 Li\n0.750001 0.750001 0.749998 Li\n0.000000 0.000000 0.000000 Sc\n0.500001 0.500000 0.499999 In\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Sc",
"In"
],
"chemical_system": "In-Li-Sc",
"density": 4.064964488823078,
"density_atomic": 0.05638688153514453,
"volume": 70.93848588712784,
"volume_molar": 10.680038682838932,
"formula_full": "Li2 Sc1 In1",
"formula_reduced": "Li2ScIn",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.8038663050000001,
"spacegroup": 225
},
{
"id": "jvasp-112405",
"created_at": "2022-09-04T14:38:39.955466Z",
"updated_at": "2022-09-04T14:38:39.955486Z",
"structure_string": "Li4 Mn8 O12 F4\n1.0\n5.867974 0.040253 -0.298586\n-0.157473 6.055480 -0.084399\n-0.028492 0.036834 8.360033\nLi Mn O F\n4 8 12 4\ndirect\n0.209060 0.003244 0.106174 Li\n0.709062 0.503244 0.606171 Li\n0.790941 0.996755 0.893825 Li\n0.290939 0.496754 0.393828 Li\n0.250003 0.749994 0.749998 Mn\n0.749996 0.250005 0.250002 Mn\n0.000001 0.500003 0.000000 Mn\n0.500000 -0.000003 0.500000 Mn\n0.750000 0.750003 0.249995 Mn\n-0.000001 -0.000001 0.500000 Mn\n0.500001 0.500002 0.000001 Mn\n0.249999 0.249996 0.750002 Mn\n0.241778 0.287022 0.979375 O\n0.226733 0.725033 0.975894 O\n0.726724 0.225041 0.475893 O\n0.456778 0.501975 0.764451 O\n0.956774 0.001986 0.264450 O\n0.741783 0.787030 0.479372 O\n0.543222 0.498023 0.235547 O\n0.258216 0.212969 0.520626 O\n0.773267 0.274966 0.024106 O\n0.273278 0.774958 0.524107 O\n0.043225 0.998012 0.735549 O\n0.758223 0.712977 0.020625 O\n0.472882 0.993847 0.233307 F\n0.527118 0.006151 0.766692 F\n0.027114 0.506157 0.266693 F\n0.972886 0.493841 0.733306 F\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Mn",
"O",
"F"
],
"chemical_system": "F-Li-Mn-O",
"density": 4.1097055115471735,
"density_atomic": 0.09425009233678996,
"volume": 297.08193706533234,
"volume_molar": 6.389533008074617,
"formula_full": "Li4 Mn8 O12 F4",
"formula_reduced": "LiMn2O3F",
"formula_anonymous": "ABC2D3",
"energy_above_hull": 2.343736466465517,
"spacegroup": 12
}
]
}