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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_full&page=892",
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"results": [
{
"id": "jvasp-51677",
"created_at": "2022-09-04T14:38:11.824637Z",
"updated_at": "2022-09-04T14:38:11.824670Z",
"structure_string": "Sr4 H8 Cl8 O4\n1.0\n4.045157 0.000000 0.000000\n0.000000 8.110961 0.000000\n0.000000 0.000000 12.091593\nSr H Cl O\n4 8 8 4\ndirect\n0.750000 0.288208 0.483348 Sr\n0.750000 0.788208 0.016651 Sr\n0.250000 0.711792 0.516651 Sr\n0.250000 0.211792 -0.016651 Sr\n0.750000 0.100981 0.245094 H\n0.250000 0.399019 0.745094 H\n0.250000 0.899019 0.754906 H\n0.750000 0.600981 0.254906 H\n0.750000 0.058244 0.832062 H\n0.250000 0.441756 0.332063 H\n0.250000 0.941756 0.167937 H\n0.750000 0.558244 0.667937 H\n0.250000 0.257289 0.694170 Cl\n0.250000 0.757288 0.805830 Cl\n0.750000 0.742711 0.305830 Cl\n0.750000 0.242711 0.194170 Cl\n0.250000 0.542898 0.114802 Cl\n0.250000 0.042898 0.385198 Cl\n0.750000 0.457102 0.885197 Cl\n0.750000 -0.042898 0.614802 Cl\n0.750000 0.555918 0.587006 O\n0.250000 0.444082 0.412994 O\n0.250000 0.944082 0.087006 O\n0.750000 0.055918 0.912993 O\n",
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"density": 2.9557258112512392,
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"volume": 396.7265044567436,
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"formula_full": "Sr4 H8 Cl8 O4",
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"formula_anonymous": "ABC2D2",
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{
"id": "jvasp-99352",
"created_at": "2022-09-04T14:35:57.597467Z",
"updated_at": "2022-09-04T14:35:57.597487Z",
"structure_string": "Sr4 H8 Br8 O4\n1.0\n11.399353 0.000000 0.000000\n0.000000 4.283267 0.000000\n0.000000 0.000000 9.205218\nSr H Br O\n4 8 8 4\ndirect\n0.689418 0.250000 0.386427 Sr\n0.189419 0.250000 0.113573 Sr\n0.310581 0.750001 0.613574 Sr\n0.810581 0.750001 0.886427 Sr\n0.125589 0.250000 0.522174 H\n0.374411 0.750001 0.022174 H\n0.874411 0.750001 0.477826 H\n0.625589 0.250000 0.977826 H\n0.115514 0.250000 0.691241 H\n0.384486 0.750001 0.191241 H\n0.884486 0.750001 0.308759 H\n0.615514 0.250000 0.808759 H\n0.600795 0.750001 0.616370 Br\n0.100795 0.750001 0.883631 Br\n0.399205 0.250000 0.383631 Br\n0.899205 0.250000 0.116370 Br\n0.614387 0.750001 0.152040 Br\n0.114387 0.750001 0.347960 Br\n0.385612 0.250000 0.847960 Br\n0.885612 0.250000 0.652040 Br\n0.173421 0.250000 0.611464 O\n0.826579 0.750001 0.388537 O\n0.326579 0.750001 0.111463 O\n0.673421 0.250000 0.888537 O\n",
"nsites": 24,
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"elements": [
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"Br",
"O"
],
"chemical_system": "Br-H-O-Sr",
"density": 3.922756910622477,
"density_atomic": 0.05339760936768497,
"volume": 449.4583237751512,
"volume_molar": 11.277922048031728,
"formula_full": "Sr4 H8 Br8 O4",
"formula_reduced": "SrH2Br2O",
"formula_anonymous": "ABC2D2",
"energy_above_hull": 0.9844380033333336,
"spacegroup": 62
},
{
"id": "jvasp-12560",
"created_at": "2022-09-04T14:38:11.287252Z",
"updated_at": "2022-09-04T14:38:11.287277Z",
"structure_string": "Sr4 H8\n1.0\n3.835763 0.000000 0.000000\n0.000000 6.340436 0.000000\n0.000000 0.000000 7.312160\nSr H\n4 8\ndirect\n0.250000 0.760138 0.387536 Sr\n0.749999 0.239863 0.612464 Sr\n0.250000 0.260138 0.112464 Sr\n0.749999 0.739863 0.887536 Sr\n0.250000 0.527511 0.677405 H\n0.749999 0.472490 0.322595 H\n0.250000 0.027511 0.822595 H\n0.749999 0.972490 0.177405 H\n0.749999 0.355088 0.928236 H\n0.250000 0.644912 0.071764 H\n0.749999 0.855089 0.571764 H\n0.250000 0.144912 0.428236 H\n",
"nsites": 12,
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"elements": [
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"chemical_system": "H-Sr",
"density": 3.34791482714765,
"density_atomic": 0.06747838370708797,
"volume": 177.83472781579846,
"volume_molar": 8.924548024358547,
"formula_full": "Sr4 H8",
"formula_reduced": "SrH2",
"formula_anonymous": "AB2",
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"spacegroup": 62
},
{
"id": "jvasp-122036",
"created_at": "2022-09-04T14:38:54.034052Z",
"updated_at": "2022-09-04T14:38:54.034081Z",
"structure_string": "Sr4 H4 N4\n1.0\n3.950152 -0.000000 0.000000\n0.000000 5.599184 0.000000\n0.000000 -0.000000 7.526595\nSr H N\n4 4 4\ndirect\n0.750000 0.190233 0.351821 Sr\n0.750000 0.309767 0.851821 Sr\n0.250000 0.690232 0.148179 Sr\n0.250000 0.809767 0.648178 Sr\n0.250000 0.106382 0.016240 H\n0.250000 0.393617 0.516239 H\n0.750000 0.606382 0.483760 H\n0.750000 0.893617 0.983760 H\n0.250000 0.235296 0.115413 N\n0.250000 0.264704 0.615412 N\n0.750000 0.735296 0.384587 N\n0.750000 0.764704 0.884587 N\n",
"nsites": 12,
"nelements": 3,
"elements": [
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"density": 4.095113636350452,
"density_atomic": 0.07208487530570666,
"volume": 166.47042738312138,
"volume_molar": 8.354236217320961,
"formula_full": "Sr4 H4 N4",
"formula_reduced": "SrHN",
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"spacegroup": 62
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{
"id": "jvasp-51762",
"created_at": "2022-09-04T14:37:03.421335Z",
"updated_at": "2022-09-04T14:37:03.421362Z",
"structure_string": "Sr4 H4 I4 O4\n1.0\n4.245796 -0.000000 0.000000\n-0.000000 7.710893 0.000000\n0.000000 0.000000 10.748293\nSr H I O\n4 4 4 4\ndirect\n0.750001 0.320864 0.419355 Sr\n0.750001 0.820863 0.080645 Sr\n0.250000 0.679136 0.580645 Sr\n0.250000 0.179136 0.919354 Sr\n0.750001 0.221968 0.099325 H\n0.750001 0.721968 0.400675 H\n0.250000 0.778031 0.900675 H\n0.250000 0.278032 0.599325 H\n0.250000 0.473832 0.179513 I\n0.250000 0.973832 0.320487 I\n0.750001 0.526168 0.820486 I\n0.750001 0.026168 0.679513 I\n0.750001 0.134426 0.033507 O\n0.750001 0.634425 0.466493 O\n0.250000 0.865574 0.966493 O\n0.250000 0.365574 0.533507 O\n",
"nsites": 16,
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"elements": [
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"I",
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],
"chemical_system": "H-I-O-Sr",
"density": 4.370352411992661,
"density_atomic": 0.04546913429290006,
"volume": 351.88706028428555,
"volume_molar": 13.244458804091083,
"formula_full": "Sr4 H4 I4 O4",
"formula_reduced": "SrHIO",
"formula_anonymous": "ABCD",
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"spacegroup": 62
},
{
"id": "jvasp-95169",
"created_at": "2022-09-04T14:35:47.016850Z",
"updated_at": "2022-09-04T14:35:47.016876Z",
"structure_string": "Sr4 H16 N8\n1.0\n6.361483 0.000000 -4.406018\n0.000000 7.695736 0.000000\n-0.026043 0.000000 6.597189\nSr H N\n4 16 8\ndirect\n0.250307 0.378511 0.252716 Sr\n0.749692 0.878511 0.247283 Sr\n0.749693 0.621490 0.747283 Sr\n0.250307 0.121490 0.752716 Sr\n0.544844 0.402467 0.901842 H\n0.455156 0.902467 0.598158 H\n0.455156 0.597534 0.098158 H\n0.544844 0.097534 0.401841 H\n0.626721 0.262815 0.789780 H\n0.373279 0.762816 0.710220 H\n0.626721 0.237185 0.289779 H\n0.373279 0.737185 0.210220 H\n0.106487 0.821084 0.874423 H\n0.106487 0.678917 0.374423 H\n0.893513 0.178917 0.125577 H\n0.066090 0.469710 0.682152 H\n0.933910 0.969710 0.817848 H\n0.933910 0.530291 0.317847 H\n0.066090 0.030290 0.182152 H\n0.893513 0.321084 0.625577 H\n0.489452 0.854845 0.763882 N\n0.023562 0.113958 0.269141 N\n0.976437 0.613958 0.230859 N\n0.976438 0.886042 0.730859 N\n0.023563 0.386042 0.769141 N\n0.510548 0.145156 0.236118 N\n0.489451 0.645156 0.263882 N\n0.510549 0.354845 0.736118 N\n",
"nsites": 28,
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"elements": [
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],
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"density": 2.4677343288413547,
"density_atomic": 0.08693198959656843,
"volume": 322.0908681595995,
"volume_molar": 6.927416234170394,
"formula_full": "Sr4 H16 N8",
"formula_reduced": "Sr(H2N)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 3.1791389728571424,
"spacegroup": 14
},
{
"id": "jvasp-23539",
"created_at": "2022-09-04T14:37:37.295808Z",
"updated_at": "2022-09-04T14:37:37.295830Z",
"structure_string": "Sr4 Ge4 Pt4\n1.0\n6.656613 0.000000 0.000000\n0.000000 6.656613 -0.000000\n-0.000000 -0.000000 6.656613\nSr Ge Pt\n4 4 4\ndirect\n0.131006 0.131006 0.131006 Sr\n0.368993 0.868993 0.631006 Sr\n0.631006 0.368993 0.868993 Sr\n0.868993 0.631006 0.368993 Sr\n0.169526 0.330474 0.669525 Ge\n0.330474 0.669525 0.169526 Ge\n0.669525 0.169526 0.330474 Ge\n0.830474 0.830474 0.830474 Ge\n0.581010 0.918990 0.081010 Pt\n0.918990 0.081010 0.581010 Pt\n0.081010 0.581010 0.918990 Pt\n0.418990 0.418990 0.418990 Pt\n",
"nsites": 12,
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"elements": [
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],
"chemical_system": "Ge-Pt-Sr",
"density": 8.001992667927741,
"density_atomic": 0.04068378210134568,
"volume": 294.95782791548976,
"volume_molar": 14.80231298309114,
"formula_full": "Sr4 Ge4 Pt4",
"formula_reduced": "SrGePt",
"formula_anonymous": "ABC",
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"spacegroup": 198
},
{
"id": "jvasp-13102",
"created_at": "2022-09-04T14:36:33.891055Z",
"updated_at": "2022-09-04T14:36:33.891070Z",
"structure_string": "Sr4 Ge2 Se8\n1.0\n6.470753 0.012054 0.000000\n-2.179577 6.092638 0.000000\n0.000000 -0.000000 10.340679\nSr Ge Se\n4 2 8\ndirect\n0.747196 0.362456 0.250000 Sr\n0.362456 0.747197 0.750000 Sr\n0.001525 0.001525 0.500000 Sr\n0.001525 0.001525 0.000000 Sr\n0.759984 0.312354 0.750000 Ge\n0.312353 0.759984 0.250000 Ge\n0.264307 0.114348 0.250000 Se\n0.114348 0.264308 0.750000 Se\n0.702065 0.835747 0.250000 Se\n0.835747 0.702066 0.750000 Se\n0.137314 0.571830 0.441324 Se\n0.571830 0.137314 0.558676 Se\n0.137314 0.571830 0.058676 Se\n0.571830 0.137314 0.941324 Se\n",
"nsites": 14,
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"elements": [
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],
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"density": 4.589273700884197,
"density_atomic": 0.03431859177554306,
"volume": 407.94214668146776,
"volume_molar": 17.54775020894547,
"formula_full": "Sr4 Ge2 Se8",
"formula_reduced": "Sr2GeSe4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 0.6581988623809525,
"spacegroup": 40
},
{
"id": "jvasp-9613",
"created_at": "2022-09-04T14:38:11.229378Z",
"updated_at": "2022-09-04T14:38:11.229408Z",
"structure_string": "Sr4 Ge2 S8\n1.0\n0.000000 6.743238 0.007358\n6.682849 0.000000 0.000000\n0.000000 -2.545574 -7.814259\nSr Ge S\n4 2 8\ndirect\n0.764943 0.750000 0.566569 Sr\n0.235058 0.250000 0.433431 Sr\n0.723675 0.750000 0.054799 Sr\n0.276325 0.250000 0.945200 Sr\n0.273861 0.750000 0.199354 Ge\n0.726140 0.250000 0.800645 Ge\n0.503666 0.505970 0.740385 S\n0.496335 0.005970 0.259615 S\n0.496335 0.494030 0.259615 S\n0.503666 0.994030 0.740385 S\n0.082001 0.750000 0.377654 S\n0.918000 0.250000 0.622346 S\n0.903500 0.250000 0.079558 S\n0.096500 0.750000 0.920442 S\n",
"nsites": 14,
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"elements": [
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],
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"density": 3.5486655991090625,
"density_atomic": 0.039770815730240876,
"volume": 352.01691851029096,
"volume_molar": 15.142110236931584,
"formula_full": "Sr4 Ge2 S8",
"formula_reduced": "Sr2GeS4",
"formula_anonymous": "AB2C4",
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"spacegroup": 11
},
{
"id": "jvasp-39644",
"created_at": "2022-09-04T14:38:06.263430Z",
"updated_at": "2022-09-04T14:38:06.263462Z",
"structure_string": "Sr4 Ga8 As8\n1.0\n0.000000 9.655814 -0.005161\n4.096967 0.000000 0.000000\n0.000000 -1.225777 -12.566352\nSr Ga As\n4 8 8\ndirect\n0.500000 0.000000 -0.000000 Sr\n-0.000000 0.000000 0.500000 Sr\n0.201350 0.500000 0.775876 Sr\n0.798649 0.500000 0.224124 Sr\n0.600379 0.000000 0.446399 Ga\n0.107858 0.000000 0.062587 Ga\n0.392874 0.500000 0.218849 Ga\n0.892141 0.000000 0.937413 Ga\n0.194447 0.500000 0.323650 Ga\n0.399620 0.000000 0.553601 Ga\n0.805552 0.500000 0.676350 Ga\n0.607125 0.500000 0.781151 Ga\n0.260631 0.500000 0.031431 As\n0.951361 0.000000 0.742365 As\n0.448766 0.000000 0.754854 As\n0.048639 0.000000 0.257635 As\n0.551233 0.000000 0.245146 As\n0.757926 0.500000 0.475218 As\n0.739368 0.500000 0.968569 As\n0.242073 0.500000 0.524781 As\n",
"nsites": 20,
"nelements": 3,
"elements": [
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"As"
],
"chemical_system": "As-Ga-Sr",
"density": 5.035731975291529,
"density_atomic": 0.04022969828717156,
"volume": 497.14516517708006,
"volume_molar": 14.969390814249133,
"formula_full": "Sr4 Ga8 As8",
"formula_reduced": "Sr(GaAs)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.5419728919999998,
"spacegroup": 10
},
{
"id": "jvasp-22374",
"created_at": "2022-09-04T14:37:57.196013Z",
"updated_at": "2022-09-04T14:37:57.196033Z",
"structure_string": "Sr4 Ga4 Sn4\n1.0\n2.301771 -3.986786 -0.000000\n2.301771 3.986786 -0.000000\n-0.000000 0.000000 18.693958\nSr Ga Sn\n4 4 4\ndirect\n0.000000 0.000000 0.000000 Sr\n0.000000 0.000000 0.750000 Sr\n0.000000 0.000000 0.500000 Sr\n0.000000 0.000000 0.250000 Sr\n0.666667 0.333333 0.161793 Ga\n0.333333 0.666667 0.661793 Ga\n0.666667 0.333333 0.338208 Ga\n0.333333 0.666667 0.838208 Ga\n0.333333 0.666667 0.385336 Sn\n0.666667 0.333333 0.885336 Sn\n0.666667 0.333333 0.614664 Sn\n0.333333 0.666667 0.114664 Sn\n",
"nsites": 12,
"nelements": 3,
"elements": [
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],
"chemical_system": "Ga-Sn-Sr",
"density": 5.344231506876646,
"density_atomic": 0.03497558193487491,
"volume": 343.09650722450283,
"volume_molar": 17.21812883975261,
"formula_full": "Sr4 Ga4 Sn4",
"formula_reduced": "SrGaSn",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0,
"spacegroup": 194
},
{
"id": "jvasp-111701",
"created_at": "2022-09-04T14:38:41.683029Z",
"updated_at": "2022-09-04T14:38:41.683055Z",
"structure_string": "Sr4 Ga4 H20\n1.0\n4.718614 0.000000 0.000000\n-0.000000 8.509369 0.000000\n0.000000 0.000000 8.813851\nSr Ga H\n4 4 20\ndirect\n0.749999 0.494188 0.317177 Sr\n0.250000 0.505812 0.682823 Sr\n0.250000 0.005812 0.817177 Sr\n0.749999 0.994188 0.182823 Sr\n0.749999 0.336997 0.916881 Ga\n0.250000 0.663003 0.083119 Ga\n0.250000 0.163003 0.416881 Ga\n0.749999 0.836997 0.583119 Ga\n0.749999 0.974176 0.911689 H\n0.975009 0.725652 0.168861 H\n0.475009 0.274348 0.831139 H\n0.250000 0.714504 0.908403 H\n0.975009 0.225652 0.331139 H\n0.749999 0.285496 0.091596 H\n0.250000 0.025824 0.088311 H\n0.475009 0.774348 0.668861 H\n0.250000 0.525824 0.411689 H\n0.250000 0.475359 0.098222 H\n0.749999 0.024641 0.598222 H\n0.250000 0.975359 0.401778 H\n0.250000 0.214504 0.591596 H\n0.749999 0.524641 0.901778 H\n0.024990 0.274348 0.831139 H\n0.524990 0.725652 0.168861 H\n0.524990 0.225652 0.331139 H\n0.024990 0.774348 0.668861 H\n0.749999 0.474176 0.588311 H\n0.749999 0.785496 0.408403 H\n",
"nsites": 28,
"nelements": 3,
"elements": [
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],
"chemical_system": "Ga-H-Sr",
"density": 3.047693817222709,
"density_atomic": 0.07911895058357596,
"volume": 353.89751498817816,
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"formula_full": "Sr4 Ga4 H20",
"formula_reduced": "SrGaH5",
"formula_anonymous": "ABC5",
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"spacegroup": 62
}
]
}