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_atomic&page=462",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=density_atomic&page=460",
"results": [
{
"id": "jvasp-100850",
"created_at": "2022-09-04T14:36:38.466859Z",
"updated_at": "2022-09-04T14:36:38.466880Z",
"structure_string": "Bi2 Te1 Se2\n1.0\n4.146808 -0.022000 9.368534\n1.963047 3.652800 9.368534\n-0.037022 -0.022000 10.245198\nBi Te Se\n2 1 2\ndirect\n0.395586 0.395586 0.395585 Bi\n0.601283 0.601283 0.601281 Bi\n0.789617 0.789616 0.789614 Te\n0.997516 0.997514 0.997512 Se\n0.216002 0.216002 0.216001 Se\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Bi",
"Te",
"Se"
],
"chemical_system": "Bi-Se-Te",
"density": 7.423666310610928,
"density_atomic": 0.031775112763005375,
"volume": 157.35585384991367,
"volume_molar": 18.952382025883363,
"formula_full": "Bi2 Te1 Se2",
"formula_reduced": "Bi2TeSe2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.09741662,
"spacegroup": 160
},
{
"id": "jvasp-29023",
"created_at": "2022-09-04T14:38:34.741837Z",
"updated_at": "2022-09-04T14:38:34.741874Z",
"structure_string": "Te6 Mo1 W3 Se2\n1.0\n3.504538 0.000000 0.000000\n-1.752268 3.035226 -0.004906\n0.000000 -0.058261 35.503220\nTe Mo W Se\n6 1 3 2\ndirect\n0.334918 0.669835 0.724353 Te\n0.665369 0.330737 0.032978 Te\n0.665989 0.331977 0.417075 Te\n0.666881 0.333762 0.136275 Te\n0.668128 0.336253 0.520885 Te\n0.332376 0.664754 0.620587 Te\n0.332788 0.665577 0.084596 Mo\n0.333593 0.667187 0.468968 W\n0.666508 0.333015 0.276840 W\n0.667115 0.334231 0.672520 W\n0.334041 0.668084 0.322522 Se\n0.332297 0.664597 0.231147 Se\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Te",
"Mo",
"W",
"Se"
],
"chemical_system": "Mo-Se-Te-W",
"density": 6.907666387234046,
"density_atomic": 0.031775533224932054,
"volume": 377.6490520254884,
"volume_molar": 18.95213124315045,
"formula_full": "Te6 Mo1 W3 Se2",
"formula_reduced": "Te6MoW3Se2",
"formula_anonymous": "AB2C3D6",
"energy_above_hull": 3.8517349361111113,
"spacegroup": 156
},
{
"id": "jvasp-121154",
"created_at": "2022-09-04T14:38:52.736145Z",
"updated_at": "2022-09-04T14:38:52.736173Z",
"structure_string": "Rb1 In1 S1\n1.0\n5.656067 -0.000000 0.000000\n-2.828033 4.898297 -0.000000\n0.000000 -0.000000 3.407658\nRb In S\n1 1 1\ndirect\n0.333335 0.666668 0.000000 Rb\n0.000000 0.000000 0.000000 In\n0.666668 0.333334 0.000000 S\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Rb",
"In",
"S"
],
"chemical_system": "In-Rb-S",
"density": 4.086745644215969,
"density_atomic": 0.03177646583737667,
"volume": 94.40949208616168,
"volume_molar": 18.951575014099056,
"formula_full": "Rb1 In1 S1",
"formula_reduced": "RbInS",
"formula_anonymous": "ABC",
"energy_above_hull": null,
"spacegroup": 187
},
{
"id": "jvasp-110455",
"created_at": "2022-09-04T14:38:39.599972Z",
"updated_at": "2022-09-04T14:38:39.599997Z",
"structure_string": "Pb4\n1.0\n3.539629 0.000000 0.000000\n-1.769814 3.065408 -0.000000\n0.000000 0.000000 11.601051\nPb\n4\ndirect\n0.000000 0.000000 0.000000 Pb\n0.333334 0.666667 0.250000 Pb\n0.000000 0.000000 0.500000 Pb\n0.666668 0.333333 0.750000 Pb\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Pb"
],
"chemical_system": "Pb",
"density": 10.933405932528048,
"density_atomic": 0.03177727294143665,
"volume": 125.87612559994457,
"volume_molar": 18.95109366715764,
"formula_full": "Pb4",
"formula_reduced": "Pb",
"formula_anonymous": "A",
"energy_above_hull": 0.0098908199999999,
"spacegroup": 194
},
{
"id": "jvasp-85191",
"created_at": "2022-09-04T14:37:09.753677Z",
"updated_at": "2022-09-04T14:37:09.753697Z",
"structure_string": "La2 Sb2 Te2\n1.0\n4.428984 -0.000000 0.000000\n-0.000000 4.428984 -0.000000\n0.000000 -0.000000 9.625435\nLa Sb Te\n2 2 2\ndirect\n0.749999 0.749999 0.722463 La\n0.250000 0.250000 0.277538 La\n0.749999 0.250000 0.000000 Sb\n0.250000 0.749999 0.000000 Sb\n0.749999 0.749999 0.372137 Te\n0.250000 0.250000 0.627863 Te\n",
"nsites": 6,
"nelements": 3,
"elements": [
"La",
"Sb",
"Te"
],
"chemical_system": "La-Sb-Te",
"density": 6.8293484731246945,
"density_atomic": 0.03177771473094996,
"volume": 188.8115634116474,
"volume_molar": 18.950830199676773,
"formula_full": "La2 Sb2 Te2",
"formula_reduced": "LaSbTe",
"formula_anonymous": "ABC",
"energy_above_hull": 0.8609296222222225,
"spacegroup": 129
},
{
"id": "jvasp-31871",
"created_at": "2022-09-04T14:37:32.133540Z",
"updated_at": "2022-09-04T14:37:32.133564Z",
"structure_string": "Ta2 Te4 Br10 O1\n1.0\n6.922785 0.020359 0.439596\n2.329350 8.389399 1.236490\n-0.007549 -0.011804 9.216561\nTa Te Br O\n2 4 10 1\ndirect\n0.508891 0.643762 0.633634 Ta\n0.491109 0.356239 0.366366 Ta\n0.921451 0.805136 0.004808 Te\n0.820882 0.098142 0.837726 Te\n0.078550 0.194864 0.995192 Te\n0.179118 0.901859 0.162274 Te\n0.159841 0.805387 0.574362 Br\n0.374549 0.475403 0.840201 Br\n0.840160 0.194613 0.425639 Br\n0.866246 0.478818 0.710010 Br\n0.625451 0.524598 0.159799 Br\n0.479825 0.157094 0.178798 Br\n0.520175 0.842907 0.821203 Br\n0.336143 0.196668 0.559368 Br\n0.663857 0.803333 0.440632 Br\n0.133754 0.521183 0.289990 Br\n0.500000 0.500000 0.500000 O\n",
"nsites": 17,
"nelements": 4,
"elements": [
"Ta",
"Te",
"Br",
"O"
],
"chemical_system": "Br-O-Ta-Te",
"density": 5.23757132035248,
"density_atomic": 0.03177813586390443,
"volume": 534.9590068091328,
"volume_molar": 18.950579057849392,
"formula_full": "Ta2 Te4 Br10 O1",
"formula_reduced": "Ta2Te4Br10O",
"formula_anonymous": "AB2C4D10",
"energy_above_hull": 1.3245649421568628,
"spacegroup": 2
},
{
"id": "jvasp-28471",
"created_at": "2022-09-04T14:36:43.403874Z",
"updated_at": "2022-09-04T14:36:43.403900Z",
"structure_string": "Te2 W3 Se2 S2\n1.0\n3.353284 0.000000 0.000000\n-1.676642 2.904175 0.000440\n-0.000001 0.004532 29.081155\nTe W Se S\n2 3 2 2\ndirect\n0.333235 0.666470 0.409883 Te\n0.333388 0.666776 0.278568 Te\n0.333555 0.667111 0.112333 W\n0.333076 0.666151 0.584393 W\n0.666656 0.333313 0.344250 W\n0.666561 0.333121 0.526826 Se\n0.666354 0.332709 0.641861 Se\n0.666958 0.333916 0.059991 S\n0.666811 0.333622 0.164738 S\n",
"nsites": 9,
"nelements": 4,
"elements": [
"Te",
"W",
"Se",
"S"
],
"chemical_system": "S-Se-Te-W",
"density": 6.032017996064909,
"density_atomic": 0.03177881869274808,
"volume": 283.207506453152,
"volume_molar": 18.950171868327665,
"formula_full": "Te2 W3 Se2 S2",
"formula_reduced": "Te2W3(SeS)2",
"formula_anonymous": "A2B2C2D3",
"energy_above_hull": 4.190073585185185,
"spacegroup": 156
},
{
"id": "jvasp-51438",
"created_at": "2022-09-04T14:37:18.475931Z",
"updated_at": "2022-09-04T14:37:18.475958Z",
"structure_string": "K2 N6\n1.0\n6.311878 -0.916426 -3.409923\n-3.870248 6.100744 -0.330636\n-0.581372 0.916427 7.150482\nK N\n2 6\ndirect\n-0.000000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 K\n0.500000 0.942055 0.557943 N\n0.500000 0.057944 0.442056 N\n0.384112 0.442056 0.942056 N\n-0.000000 0.750000 0.749999 N\n-0.000000 0.250000 0.250000 N\n0.615888 0.557943 0.057944 N\n",
"nsites": 8,
"nelements": 2,
"elements": [
"K",
"N"
],
"chemical_system": "K-N",
"density": 1.0702399790069288,
"density_atomic": 0.03178137538603557,
"volume": 251.71975419022053,
"volume_molar": 18.948647397576345,
"formula_full": "K2 N6",
"formula_reduced": "KN3",
"formula_anonymous": "AB3",
"energy_above_hull": 3.840654437500001,
"spacegroup": 140
},
{
"id": "jvasp-13062",
"created_at": "2022-09-04T14:36:50.501228Z",
"updated_at": "2022-09-04T14:36:50.501247Z",
"structure_string": "Sn4 Br8\n1.0\n4.224787 -0.000000 0.000000\n-0.000000 8.585659 0.000000\n0.000000 0.000000 10.407649\nSn Br\n4 8\ndirect\n0.250000 0.868295 0.831421 Sn\n0.750001 0.131705 0.168580 Sn\n0.250000 0.368295 0.668580 Sn\n0.750001 0.631705 0.331420 Sn\n0.250000 0.167842 0.948508 Br\n0.750001 0.832158 0.051492 Br\n0.250000 0.667842 0.551492 Br\n0.750001 0.332158 0.448508 Br\n0.250000 0.489078 0.178447 Br\n0.750001 0.510922 0.821554 Br\n0.250000 0.989078 0.321553 Br\n0.750001 0.010922 0.678447 Br\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Sn",
"Br"
],
"chemical_system": "Br-Sn",
"density": 4.900397007660301,
"density_atomic": 0.03178704489858263,
"volume": 377.5122864766543,
"volume_molar": 18.945267731598808,
"formula_full": "Sn4 Br8",
"formula_reduced": "SnBr2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0,
"spacegroup": 62
},
{
"id": "jvasp-105690",
"created_at": "2022-09-04T14:36:06.986356Z",
"updated_at": "2022-09-04T14:36:06.986386Z",
"structure_string": "K1 Rb2 As1 Cl6\n1.0\n6.610920 -0.000000 3.816816\n2.203640 6.232835 3.816816\n-0.000000 -0.000000 7.633632\nK Rb As Cl\n1 2 1 6\ndirect\n0.500000 0.500000 0.500000 K\n0.750000 0.749999 0.750001 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 As\n0.768419 0.231581 0.231581 Cl\n0.231581 0.231581 0.768419 Cl\n0.231581 0.768419 0.768420 Cl\n0.231581 0.768419 0.231581 Cl\n0.768419 0.231581 0.768420 Cl\n0.768420 0.768419 0.231582 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Rb",
"As",
"Cl"
],
"chemical_system": "As-Cl-K-Rb",
"density": 2.627331435117829,
"density_atomic": 0.03179224879548574,
"volume": 314.54207798662935,
"volume_molar": 18.942166685783793,
"formula_full": "K1 Rb2 As1 Cl6",
"formula_reduced": "KRb2AsCl6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-116424",
"created_at": "2022-09-04T14:38:42.456552Z",
"updated_at": "2022-09-04T14:38:42.456577Z",
"structure_string": "Cd1 As1 I2\n1.0\n4.459118 0.000000 0.000000\n0.000000 4.459118 0.000000\n0.000000 0.000000 6.325993\nCd As I\n1 1 2\ndirect\n0.500000 0.500000 0.502368 Cd\n0.000000 0.000000 0.002573 As\n0.000000 0.000000 0.502588 I\n0.500000 0.500000 0.002472 I\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Cd",
"As",
"I"
],
"chemical_system": "As-Cd-I",
"density": 5.8237190477746275,
"density_atomic": 0.03180045648343327,
"volume": 125.78435790957388,
"volume_molar": 18.937277718441834,
"formula_full": "Cd1 As1 I2",
"formula_reduced": "CdAsI2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.4247568604166667,
"spacegroup": 123
},
{
"id": "jvasp-93407",
"created_at": "2022-09-04T14:36:13.487418Z",
"updated_at": "2022-09-04T14:36:13.487440Z",
"structure_string": "Rb2 Mn2 Sb2\n1.0\n4.726808 0.000000 0.000000\n0.000000 4.726808 -0.000000\n-0.000000 -0.000000 8.443872\nRb Mn Sb\n2 2 2\ndirect\n0.250000 0.250000 0.649507 Rb\n0.750000 0.750000 0.350493 Rb\n0.250000 0.750000 0.000000 Mn\n0.750000 0.250000 0.000000 Mn\n0.250000 0.250000 0.177449 Sb\n0.750000 0.750000 0.822551 Sb\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Rb",
"Mn",
"Sb"
],
"chemical_system": "Mn-Rb-Sb",
"density": 4.615063055935482,
"density_atomic": 0.03180340980197906,
"volume": 188.65901604131244,
"volume_molar": 18.93551917073136,
"formula_full": "Rb2 Mn2 Sb2",
"formula_reduced": "RbMnSb",
"formula_anonymous": "ABC",
"energy_above_hull": 1.4206644471264371,
"spacegroup": 129
}
]
}