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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-density_atomic&page=4050",
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"results": [
{
"id": "jvasp-120426",
"created_at": "2022-09-04T14:38:37.323140Z",
"updated_at": "2022-09-04T14:38:37.323166Z",
"structure_string": "Ba2 La4 Cl16\n1.0\n9.696286 0.161124 -1.583731\n-6.986352 6.723800 -1.583210\n-0.063279 -0.159995 9.824969\nBa La Cl\n2 4 16\ndirect\n0.750002 0.249991 0.500044 Ba\n-0.000147 -0.000042 -0.000196 Ba\n0.296384 0.653673 0.081761 La\n0.346308 0.428074 0.642693 La\n0.785371 0.703619 0.357281 La\n0.571954 0.214669 0.918272 La\n0.544528 -0.003136 0.691200 Cl\n0.251895 0.171204 0.809607 Cl\n0.557723 0.748098 0.919337 Cl\n0.694268 0.762596 0.609511 Cl\n0.828875 0.638525 0.080683 Cl\n0.237456 0.846994 0.931746 Cl\n0.153039 0.084758 0.390518 Cl\n0.915252 0.305674 0.068252 Cl\n0.067469 0.353987 0.774237 Cl\n0.003083 0.694305 0.547728 Cl\n0.579930 0.293291 0.225792 Cl\n0.305729 0.853381 0.308854 Cl\n0.146566 0.455429 0.452319 Cl\n0.361552 0.442154 0.190346 Cl\n0.706734 0.932518 0.286518 Cl\n0.646023 0.420279 0.713499 Cl\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Ba",
"La",
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],
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"density": 3.58830975242568,
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"volume": 646.7231536178466,
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"formula_full": "Ba2 La4 Cl16",
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"formula_anonymous": "AB2C8",
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"spacegroup": 82
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{
"id": "jvasp-28959",
"created_at": "2022-09-04T14:35:42.660132Z",
"updated_at": "2022-09-04T14:35:42.660158Z",
"structure_string": "Te4 Mo2 W2 Se2 S2\n1.0\n3.404395 -0.000140 0.000163\n-1.702318 2.948570 0.001017\n0.001682 0.013335 35.143388\nTe Mo W Se S\n4 2 2 2 2\ndirect\n0.333174 0.666392 0.728524 Te\n0.666769 0.333365 0.413563 Te\n0.666413 0.332613 0.520327 Te\n0.333804 0.667627 0.621293 Te\n0.333202 0.666270 0.466975 Mo\n0.666567 0.333041 0.270455 Mo\n0.333310 0.666916 0.090581 W\n0.666917 0.333759 0.674970 W\n0.333009 0.665973 0.317367 Se\n0.333436 0.666791 0.223552 Se\n0.666958 0.334139 0.047671 S\n0.666448 0.333121 0.133471 S\n",
"nsites": 12,
"nelements": 5,
"elements": [
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"Mo",
"W",
"Se",
"S"
],
"chemical_system": "Mo-S-Se-Te-W",
"density": 6.0817747637456145,
"density_atomic": 0.03401704665804328,
"volume": 352.76431021864204,
"volume_molar": 17.70330276034141,
"formula_full": "Te4 Mo2 W2 Se2 S2",
"formula_reduced": "Te2MoWSeS",
"formula_anonymous": "ABCDE2",
"energy_above_hull": 3.462604133333333,
"spacegroup": 156
},
{
"id": "jvasp-109800",
"created_at": "2022-09-04T14:38:20.662093Z",
"updated_at": "2022-09-04T14:38:20.662120Z",
"structure_string": "K4 Zn2 Se4\n1.0\n6.268991 0.004577 -5.131227\n-1.189816 5.819162 -5.509215\n-0.047401 -0.004577 8.101079\nK Zn Se\n4 2 4\ndirect\n0.817030 0.643645 0.173386 K\n0.182970 0.356355 0.826613 K\n0.470258 0.143645 0.326614 K\n0.529741 0.856355 0.673386 K\n-0.000001 0.749999 0.750000 Zn\n-0.000000 0.250000 0.250000 Zn\n0.699419 0.393804 0.305615 Se\n0.300580 0.606195 0.694385 Se\n0.088187 0.893804 0.194385 Se\n0.911812 0.106196 0.805615 Se\n",
"nsites": 10,
"nelements": 3,
"elements": [
"K",
"Zn",
"Se"
],
"chemical_system": "K-Se-Zn",
"density": 3.4063956487505775,
"density_atomic": 0.03401667070410709,
"volume": 293.9735074894506,
"volume_molar": 17.703498418123857,
"formula_full": "K4 Zn2 Se4",
"formula_reduced": "K2ZnSe2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.0,
"spacegroup": 72
},
{
"id": "jvasp-90574",
"created_at": "2022-09-04T14:35:40.960427Z",
"updated_at": "2022-09-04T14:35:40.960455Z",
"structure_string": "Y6 Mg2\n1.0\n4.907767 0.000000 0.000000\n0.000000 4.907767 0.000000\n-0.000000 0.000000 9.764062\nY Mg\n6 2\ndirect\n0.500000 0.500000 0.000000 Y\n0.500000 0.000000 0.250000 Y\n0.000000 0.500000 0.250000 Y\n0.000000 0.000000 0.500000 Y\n0.000000 0.500000 0.750000 Y\n0.500000 0.000000 0.750000 Y\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Y",
"Mg"
],
"chemical_system": "Mg-Y",
"density": 4.109673635443296,
"density_atomic": 0.03401665351204323,
"volume": 235.1789248512552,
"volume_molar": 17.703507365496513,
"formula_full": "Y6 Mg2",
"formula_reduced": "Y3Mg",
"formula_anonymous": "AB3",
"energy_above_hull": 2.100112821428571,
"spacegroup": 139
},
{
"id": "jvasp-118559",
"created_at": "2022-09-04T14:38:51.573622Z",
"updated_at": "2022-09-04T14:38:51.573633Z",
"structure_string": "Li1 S1 I1\n1.0\n5.061686 0.000000 -0.000000\n-2.530843 4.383549 0.000000\n-0.000000 -0.000000 3.974746\nLi S I\n1 1 1\ndirect\n0.333334 0.666667 0.000000 Li\n0.666667 0.333333 0.000000 S\n0.000000 0.000000 0.000000 I\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Li",
"S",
"I"
],
"chemical_system": "I-Li-S",
"density": 3.123866344899575,
"density_atomic": 0.03401659253496136,
"volume": 88.19225490962033,
"volume_molar": 17.70353910025116,
"formula_full": "Li1 S1 I1",
"formula_reduced": "LiSI",
"formula_anonymous": "ABC",
"energy_above_hull": 0.6384954250000001,
"spacegroup": 187
},
{
"id": "jvasp-100261",
"created_at": "2022-09-04T14:36:31.716910Z",
"updated_at": "2022-09-04T14:36:31.716927Z",
"structure_string": "Yb3 Pb1\n1.0\n4.899338 0.000000 -0.000000\n0.000000 4.899338 0.000000\n-0.000000 0.000000 4.899338\nYb Pb\n3 1\ndirect\n0.000000 0.500000 0.500000 Yb\n0.500000 0.000000 0.500000 Yb\n0.500000 0.500000 0.000000 Yb\n0.000000 0.000000 0.000000 Pb\n",
"nsites": 4,
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"elements": [
"Yb",
"Pb"
],
"chemical_system": "Pb-Yb",
"density": 10.255690228424129,
"density_atomic": 0.0340132229143463,
"volume": 117.6013225818967,
"volume_molar": 17.70529295375871,
"formula_full": "Yb3 Pb1",
"formula_reduced": "Yb3Pb",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0046999999999999,
"spacegroup": 221
},
{
"id": "jvasp-102874",
"created_at": "2022-09-04T14:36:35.412692Z",
"updated_at": "2022-09-04T14:36:35.412712Z",
"structure_string": "K2 Hg1 As1 Cl6\n1.0\n6.463869 -0.000000 3.731917\n2.154623 6.094194 3.731917\n-0.000000 -0.000000 7.463833\nK Hg As Cl\n2 1 1 6\ndirect\n0.750000 0.749999 0.750001 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Hg\n0.000000 0.000000 0.000000 As\n0.762864 0.237136 0.237137 Cl\n0.237136 0.237136 0.762864 Cl\n0.237136 0.762863 0.762864 Cl\n0.237136 0.762863 0.237137 Cl\n0.762864 0.237136 0.762864 Cl\n0.762864 0.762863 0.237137 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Hg",
"As",
"Cl"
],
"chemical_system": "As-Cl-Hg-K",
"density": 3.1990549182392267,
"density_atomic": 0.03401177244849292,
"volume": 294.0158445180679,
"volume_molar": 17.70604801358079,
"formula_full": "K2 Hg1 As1 Cl6",
"formula_reduced": "K2HgAsCl6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-117816",
"created_at": "2022-09-04T14:38:48.283665Z",
"updated_at": "2022-09-04T14:38:48.283700Z",
"structure_string": "In1 Sb1 Br1\n1.0\n5.589691 -0.000000 -0.000000\n-2.794845 4.840814 0.000000\n0.000000 0.000000 3.259842\nIn Sb Br\n1 1 1\ndirect\n0.333333 0.666666 0.000000 In\n0.666667 0.333333 0.000000 Sb\n0.000000 0.000000 0.000000 Br\n",
"nsites": 3,
"nelements": 3,
"elements": [
"In",
"Sb",
"Br"
],
"chemical_system": "Br-In-Sb",
"density": 5.957929561933524,
"density_atomic": 0.03401092997945666,
"volume": 88.20693823462238,
"volume_molar": 17.706486601917394,
"formula_full": "In1 Sb1 Br1",
"formula_reduced": "InSbBr",
"formula_anonymous": "ABC",
"energy_above_hull": 0.2868667250000001,
"spacegroup": 187
},
{
"id": "jvasp-3918",
"created_at": "2022-09-04T14:35:44.837121Z",
"updated_at": "2022-09-04T14:35:44.837148Z",
"structure_string": "Sm2 Br6\n1.0\n4.041974 0.000000 0.000000\n-2.020987 6.372230 0.000000\n0.000000 0.000000 9.132642\nSm Br\n2 6\ndirect\n0.742789 0.485579 0.250000 Sm\n0.257209 0.514420 0.750000 Sm\n0.354448 0.708896 0.434305 Br\n0.645551 0.291104 0.565694 Br\n0.918025 0.836053 0.750000 Br\n0.081973 0.163947 0.250000 Br\n0.354448 0.708896 0.065694 Br\n0.645551 0.291104 0.934305 Br\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Sm",
"Br"
],
"chemical_system": "Br-Sm",
"density": 5.507347472762404,
"density_atomic": 0.034010153722048166,
"volume": 235.2238706528911,
"volume_molar": 17.706890739796794,
"formula_full": "Sm2 Br6",
"formula_reduced": "SmBr3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 63
},
{
"id": "jvasp-87869",
"created_at": "2022-09-04T14:35:51.023558Z",
"updated_at": "2022-09-04T14:35:51.023579Z",
"structure_string": "Ba8 Si16\n1.0\n6.772015 -0.000000 0.000000\n0.000000 8.983549 0.000000\n0.000000 0.000000 11.599846\nBa Si\n8 16\ndirect\n0.749999 0.985090 0.307330 Ba\n0.749999 0.485090 0.192670 Ba\n0.250000 0.514910 0.807330 Ba\n0.749999 0.160166 0.906037 Ba\n0.250000 0.839834 0.093963 Ba\n0.749999 0.660166 0.593963 Ba\n0.250000 0.339834 0.406037 Ba\n0.250000 0.014910 0.692670 Ba\n0.250000 0.918312 0.409529 Si\n0.749999 0.081688 0.590472 Si\n0.250000 0.418312 0.090472 Si\n0.749999 0.581688 0.909529 Si\n0.929236 0.306170 0.645675 Si\n0.250000 0.196876 0.964712 Si\n0.749999 0.803124 0.035288 Si\n0.929236 0.806170 0.854326 Si\n0.429237 0.193830 0.145675 Si\n0.570763 0.306170 0.645675 Si\n0.070763 0.693830 0.354326 Si\n0.070763 0.193830 0.145675 Si\n0.570763 0.806170 0.854326 Si\n0.429237 0.693830 0.354326 Si\n0.749999 0.303124 0.464712 Si\n0.250000 0.696876 0.535288 Si\n",
"nsites": 24,
"nelements": 2,
"elements": [
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],
"chemical_system": "Ba-Si",
"density": 3.642482626795938,
"density_atomic": 0.03400894547023764,
"volume": 705.6966826861244,
"volume_molar": 17.707519820837067,
"formula_full": "Ba8 Si16",
"formula_reduced": "BaSi2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.6478543899999998,
"spacegroup": 62
},
{
"id": "jvasp-92678",
"created_at": "2022-09-04T14:36:21.493825Z",
"updated_at": "2022-09-04T14:36:21.493857Z",
"structure_string": "Rb2 Pd1 Se2\n1.0\n0.000000 -0.000000 3.834337\n-5.051680 3.795546 1.917168\n-5.051680 -3.795546 1.917168\nRb Pd Se\n2 1 2\ndirect\n0.195567 0.304433 0.304433 Rb\n0.804434 0.695567 0.695567 Rb\n0.000000 0.000000 0.000000 Pd\n0.500001 0.216416 0.783584 Se\n0.500001 0.783584 0.216416 Se\n",
"nsites": 5,
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"elements": [
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"Pd",
"Se"
],
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"density": 4.915673766529221,
"density_atomic": 0.034004753956468584,
"volume": 147.0382643085959,
"volume_molar": 17.709702495448973,
"formula_full": "Rb2 Pd1 Se2",
"formula_reduced": "Rb2PdSe2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.3561864866666664,
"spacegroup": 71
},
{
"id": "jvasp-114788",
"created_at": "2022-09-04T14:38:41.283002Z",
"updated_at": "2022-09-04T14:38:41.283020Z",
"structure_string": "Na1 Sn1 Cl3\n1.0\n5.545583 -0.204058 1.140110\n0.021878 5.550615 1.130186\n1.410654 1.374051 5.355463\nNa Sn Cl\n1 1 3\ndirect\n0.965807 0.977953 0.567292 Na\n0.440323 0.451872 0.677117 Sn\n0.461705 -0.039785 0.556134 Cl\n-0.051757 0.473677 0.556818 Cl\n0.623919 0.636281 0.132637 Cl\n",
"nsites": 5,
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"elements": [
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"Cl"
],
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"density": 2.801307582818297,
"density_atomic": 0.0340037738447676,
"volume": 147.04250248298206,
"volume_molar": 17.710212953103348,
"formula_full": "Na1 Sn1 Cl3",
"formula_reduced": "NaSnCl3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.0104739999999999,
"spacegroup": 8
}
]
}