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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=chemical_system&page=1585",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=chemical_system&page=1583",
"results": [
{
"id": "jvasp-31901",
"created_at": "2022-09-04T14:38:15.703760Z",
"updated_at": "2022-09-04T14:38:15.703801Z",
"structure_string": "Sb1 I3 Br2 Cl6\n1.0\n7.146852 -0.032621 0.857734\n1.059731 7.154389 0.286108\n-0.003664 0.053322 7.707742\nSb I Br Cl\n1 3 2 6\ndirect\n0.000000 0.500000 0.500000 Sb\n0.336375 0.771364 0.825302 I\n0.000000 0.000000 0.000000 I\n0.663625 0.228636 0.174697 I\n0.513408 0.747676 0.093491 Br\n0.486593 0.252324 0.906509 Br\n0.840421 0.218313 0.500056 Cl\n0.903117 0.526845 0.805713 Cl\n0.159579 0.781687 0.499943 Cl\n0.288695 0.298892 0.557616 Cl\n0.711305 0.701108 0.442384 Cl\n0.096884 0.473155 0.194286 Cl\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Sb",
"I",
"Br",
"Cl"
],
"chemical_system": "Br-Cl-I-Sb",
"density": 3.6846031928329035,
"density_atomic": 0.030430922114089123,
"volume": 394.3357337319777,
"volume_molar": 19.789544126932082,
"formula_full": "Sb1 I3 Br2 Cl6",
"formula_reduced": "SbI3(BrCl3)2",
"formula_anonymous": "AB2C3D6",
"energy_above_hull": 0.0792881283333333,
"spacegroup": 2
},
{
"id": "jvasp-108115",
"created_at": "2022-09-04T14:38:19.967339Z",
"updated_at": "2022-09-04T14:38:19.967363Z",
"structure_string": "K5 Br4 Cl1\n1.0\n7.855589 -0.003100 -1.331646\n-5.606136 5.502865 -1.331646\n0.001268 0.003100 7.967657\nK Br Cl\n5 4 1\ndirect\n0.597035 0.207973 0.805008 K\n0.402965 0.792028 0.194992 K\n0.792027 0.597035 0.389061 K\n0.000000 0.000000 0.000000 K\n0.207973 0.402966 0.610938 K\n0.902556 0.299992 0.202547 Br\n0.299992 0.097444 0.397437 Br\n0.700009 0.902556 0.602563 Br\n0.097445 0.700009 0.797453 Br\n0.500000 0.500000 -0.000000 Cl\n",
"nsites": 10,
"nelements": 3,
"elements": [
"K",
"Br",
"Cl"
],
"chemical_system": "Br-Cl-K",
"density": 2.65490338316783,
"density_atomic": 0.029039863708279233,
"volume": 344.3542332173209,
"volume_molar": 20.73749663736574,
"formula_full": "K5 Br4 Cl1",
"formula_reduced": "K5Br4Cl",
"formula_anonymous": "AB4C5",
"energy_above_hull": 0.0,
"spacegroup": 87
},
{
"id": "jvasp-105474",
"created_at": "2022-09-04T14:36:59.233697Z",
"updated_at": "2022-09-04T14:36:59.233720Z",
"structure_string": "K2 Br1 Cl1\n1.0\n4.337586 0.000688 6.553259\n1.972849 3.862968 6.553259\n0.001125 0.000688 7.858744\nK Br Cl\n2 1 1\ndirect\n0.254184 0.254185 0.254184 K\n0.745816 0.745817 0.745815 K\n0.500000 0.500001 0.499999 Br\n0.000000 0.000000 0.000000 Cl\n",
"nsites": 4,
"nelements": 3,
"elements": [
"K",
"Br",
"Cl"
],
"chemical_system": "Br-Cl-K",
"density": 2.4416998998294592,
"density_atomic": 0.03038798657432852,
"volume": 131.63096509260544,
"volume_molar": 19.81750500405791,
"formula_full": "K2 Br1 Cl1",
"formula_reduced": "K2BrCl",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 166
},
{
"id": "jvasp-106361",
"created_at": "2022-09-04T14:37:48.921397Z",
"updated_at": "2022-09-04T14:37:48.921432Z",
"structure_string": "K3 Br1 Cl2\n1.0\n4.495456 0.000000 0.000000\n-2.247728 3.893178 0.000000\n0.000000 0.000000 11.019879\nK Br Cl\n3 1 2\ndirect\n-0.000000 0.000000 0.500000 K\n0.333333 0.666667 0.177678 K\n0.666668 0.333333 0.822322 K\n0.000000 0.000000 0.000000 Br\n0.333333 0.666667 0.661059 Cl\n0.666668 0.333333 0.338941 Cl\n",
"nsites": 6,
"nelements": 3,
"elements": [
"K",
"Br",
"Cl"
],
"chemical_system": "Br-Cl-K",
"density": 2.3083359275931374,
"density_atomic": 0.031109742228810373,
"volume": 192.86562890397303,
"volume_molar": 19.357732750427502,
"formula_full": "K3 Br1 Cl2",
"formula_reduced": "K3BrCl2",
"formula_anonymous": "AB2C3",
"energy_above_hull": 0.0,
"spacegroup": 164
},
{
"id": "jvasp-108774",
"created_at": "2022-09-04T14:38:20.052200Z",
"updated_at": "2022-09-04T14:38:20.052226Z",
"structure_string": "K2 Pd1 Br3 Cl1\n1.0\n7.281064 -0.206641 0.000000\n-0.240116 7.280037 0.000000\n-0.000000 -0.000000 4.188056\nK Pd Br Cl\n2 1 3 1\ndirect\n0.510028 0.012489 0.500001 K\n0.987511 0.489972 0.500001 K\n0.998407 0.001593 -0.000000 Pd\n0.230182 0.769818 -0.000000 Br\n0.247838 0.249992 -0.000000 Br\n0.750007 0.752162 -0.000000 Br\n0.776024 0.223975 -0.000000 Cl\n",
"nsites": 7,
"nelements": 4,
"elements": [
"K",
"Pd",
"Br",
"Cl"
],
"chemical_system": "Br-Cl-K-Pd",
"density": 3.4424408818205903,
"density_atomic": 0.03156195134565277,
"volume": 221.78603354840274,
"volume_molar": 19.080381609008054,
"formula_full": "K2 Pd1 Br3 Cl1",
"formula_reduced": "K2PdBr3Cl",
"formula_anonymous": "ABC2D3",
"energy_above_hull": 0.0,
"spacegroup": 38
},
{
"id": "jvasp-113086",
"created_at": "2022-09-04T14:38:46.342000Z",
"updated_at": "2022-09-04T14:38:46.342010Z",
"structure_string": "La4 Br1 Cl3 O4\n1.0\n4.123224 0.000000 0.000000\n0.000000 4.123224 0.000000\n-0.000000 -0.000000 14.146752\nLa Br Cl O\n4 1 3 4\ndirect\n0.000000 0.000000 0.081317 La\n0.000000 0.000000 0.592928 La\n0.500000 0.500000 0.420775 La\n0.500000 0.500000 0.909610 La\n0.000000 0.000000 0.314881 Br\n0.000000 0.000000 0.813943 Cl\n0.500000 0.500000 0.177179 Cl\n0.500000 0.500000 0.686577 Cl\n0.500000 -0.000000 0.994969 O\n0.500000 -0.000000 0.506425 O\n-0.000000 0.500000 0.994969 O\n-0.000000 0.500000 0.506425 O\n",
"nsites": 12,
"nelements": 4,
"elements": [
"La",
"Br",
"Cl",
"O"
],
"chemical_system": "Br-Cl-La-O",
"density": 5.564039613509533,
"density_atomic": 0.04989426710209635,
"volume": 240.5085934110416,
"volume_molar": 12.069805029257509,
"formula_full": "La4 Br1 Cl3 O4",
"formula_reduced": "La4BrCl3O4",
"formula_anonymous": "AB3C4D4",
"energy_above_hull": 1.4879975256250002,
"spacegroup": 99
},
{
"id": "jvasp-111351",
"created_at": "2022-09-04T14:38:47.184409Z",
"updated_at": "2022-09-04T14:38:47.184428Z",
"structure_string": "Na5 Br1 Cl4\n1.0\n3.982563 -0.000314 16.059393\n1.961307 3.466134 16.059393\n-0.000539 -0.000314 16.545843\nNa Br Cl\n5 1 4\ndirect\n0.601486 0.601488 0.601486 Na\n0.000000 0.000000 0.000000 Na\n0.398513 0.398514 0.398513 Na\n0.202929 0.202929 0.202929 Na\n0.797070 0.797072 0.797071 Na\n0.499999 0.500001 0.500000 Br\n0.097791 0.097791 0.097791 Cl\n0.699254 0.699256 0.699255 Cl\n0.300745 0.300745 0.300745 Cl\n0.902208 0.902210 0.902208 Cl\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Na",
"Br",
"Cl"
],
"chemical_system": "Br-Cl-Na",
"density": 2.4471138007426743,
"density_atomic": 0.04377309934935851,
"volume": 228.45080994125559,
"volume_molar": 13.757629342022485,
"formula_full": "Na5 Br1 Cl4",
"formula_reduced": "Na5BrCl4",
"formula_anonymous": "AB4C5",
"energy_above_hull": 0.0,
"spacegroup": 166
},
{
"id": "jvasp-107308",
"created_at": "2022-09-04T14:37:00.814445Z",
"updated_at": "2022-09-04T14:37:00.814471Z",
"structure_string": "Na5 Br4 Cl1\n1.0\n4.120071 -0.002870 -14.407379\n-0.083715 4.119222 -14.407379\n0.002815 0.002870 14.984911\nNa Br Cl\n5 4 1\ndirect\n0.800144 0.800143 0.000000 Na\n0.199856 0.199856 0.000000 Na\n0.596188 0.596187 0.000000 Na\n0.000000 0.000000 0.000000 Na\n0.403813 0.403812 0.000000 Na\n0.901450 0.901449 0.000000 Br\n0.301165 0.301165 0.000000 Br\n0.698836 0.698835 0.000000 Br\n0.098551 0.098551 0.000000 Br\n0.500000 0.500000 0.000000 Cl\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Na",
"Br",
"Cl"
],
"chemical_system": "Br-Cl-Na",
"density": 3.0648807568131016,
"density_atomic": 0.039269026650563844,
"volume": 254.65362533645623,
"volume_molar": 15.33559976820442,
"formula_full": "Na5 Br4 Cl1",
"formula_reduced": "Na5Br4Cl",
"formula_anonymous": "AB4C5",
"energy_above_hull": 0.0,
"spacegroup": 139
},
{
"id": "jvasp-101145",
"created_at": "2022-09-04T14:36:49.398687Z",
"updated_at": "2022-09-04T14:36:49.398730Z",
"structure_string": "Na3 Br1 Cl2\n1.0\n3.952828 0.001104 -8.132400\n-0.208397 3.947331 -8.132400\n-0.001047 -0.001104 9.042167\nNa Br Cl\n3 1 2\ndirect\n0.670973 0.670972 -0.000001 Na\n0.000000 0.000000 0.000000 Na\n0.329027 0.329027 -0.000000 Na\n0.500000 0.499999 -0.000001 Br\n0.832491 0.832490 -0.000001 Cl\n0.167509 0.167509 -0.000000 Cl\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Na",
"Br",
"Cl"
],
"chemical_system": "Br-Cl-Na",
"density": 2.587998342508231,
"density_atomic": 0.042548019093671924,
"volume": 141.0171408166066,
"volume_molar": 14.153751192839103,
"formula_full": "Na3 Br1 Cl2",
"formula_reduced": "Na3BrCl2",
"formula_anonymous": "AB2C3",
"energy_above_hull": 0.0,
"spacegroup": 139
},
{
"id": "jvasp-110562",
"created_at": "2022-09-04T14:38:38.427922Z",
"updated_at": "2022-09-04T14:38:38.427950Z",
"structure_string": "Na2 Br1 Cl1\n1.0\n3.910353 0.000113 5.897011\n1.777614 3.482951 5.897011\n0.000185 0.000113 7.075705\nNa Br Cl\n2 1 1\ndirect\n0.254244 0.254244 0.254245 Na\n0.745754 0.745754 0.745759 Na\n0.499999 0.499999 0.500002 Br\n0.000000 0.000000 0.000000 Cl\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Na",
"Br",
"Cl"
],
"chemical_system": "Br-Cl-Na",
"density": 2.7802171619402216,
"density_atomic": 0.04151039621351773,
"volume": 96.36140256106283,
"volume_molar": 14.507548251343621,
"formula_full": "Na2 Br1 Cl1",
"formula_reduced": "Na2BrCl",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 166
},
{
"id": "jvasp-110560",
"created_at": "2022-09-04T14:38:39.109092Z",
"updated_at": "2022-09-04T14:38:39.109112Z",
"structure_string": "Na3 Br1 Cl2\n1.0\n4.045913 -0.000000 0.000000\n-2.022956 3.503863 -0.000000\n0.000000 0.000000 9.908687\nNa Br Cl\n3 1 2\ndirect\n0.000000 0.000000 0.500000 Na\n0.333332 0.666666 0.178262 Na\n0.666666 0.333333 0.821739 Na\n0.000000 0.000000 0.000000 Br\n0.333332 0.666666 0.660822 Cl\n0.666666 0.333333 0.339179 Cl\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Na",
"Br",
"Cl"
],
"chemical_system": "Br-Cl-Na",
"density": 2.59810160960611,
"density_atomic": 0.042714121982660794,
"volume": 140.46876586707359,
"volume_molar": 14.098711340583343,
"formula_full": "Na3 Br1 Cl2",
"formula_reduced": "Na3BrCl2",
"formula_anonymous": "AB2C3",
"energy_above_hull": 0.0027183333333333,
"spacegroup": 164
},
{
"id": "jvasp-100806",
"created_at": "2022-09-04T14:36:42.266471Z",
"updated_at": "2022-09-04T14:36:42.266501Z",
"structure_string": "Sr4 Br1 N2 Cl1\n1.0\n3.859758 -0.006495 13.999188\n1.889078 3.365881 13.999188\n-0.011114 -0.006495 14.521531\nSr Br N Cl\n4 1 2 1\ndirect\n0.383479 0.383480 0.383478 Sr\n0.887394 0.887395 0.887390 Sr\n0.112607 0.112607 0.112607 Sr\n0.616522 0.616522 0.616519 Sr\n0.500001 0.500001 0.499998 Br\n0.748023 0.748024 0.748020 N\n0.251978 0.251978 0.251977 N\n0.000000 0.000000 0.000000 Cl\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Sr",
"Br",
"N",
"Cl"
],
"chemical_system": "Br-Cl-N-Sr",
"density": 4.326607259929073,
"density_atomic": 0.04220782316512852,
"volume": 189.53832252143914,
"volume_molar": 14.267830720479807,
"formula_full": "Sr4 Br1 N2 Cl1",
"formula_reduced": "Sr4BrN2Cl",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 0.9789149890624996,
"spacegroup": 166
}
]
}