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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-density_atomic&page=4089",
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"results": [
{
"id": "jvasp-29210",
"created_at": "2022-09-04T14:37:41.086755Z",
"updated_at": "2022-09-04T14:37:41.086780Z",
"structure_string": "Te2 Mo2 W2 Se6\n1.0\n3.386453 0.000001 -0.000013\n-1.693226 2.932755 -0.000006\n-0.000138 -0.000177 36.159863\nTe Mo W Se\n2 2 2 6\ndirect\n0.666661 0.333374 0.416165 Te\n0.666666 0.333364 0.520874 Te\n0.333333 0.666635 0.096707 Mo\n0.666616 0.333305 0.277163 Mo\n0.333331 0.666703 0.468522 W\n0.666717 0.333362 0.660521 W\n0.333289 0.666643 0.322923 Se\n0.333389 0.666697 0.706415 Se\n0.666654 0.333285 0.051025 Se\n0.666676 0.333315 0.142449 Se\n0.333278 0.666636 0.231435 Se\n0.333374 0.666683 0.614550 Se\n",
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{
"id": "jvasp-35764",
"created_at": "2022-09-04T14:37:33.074705Z",
"updated_at": "2022-09-04T14:37:33.074726Z",
"structure_string": "Tb1 Sb2\n1.0\n3.419961 0.000000 0.000000\n-1.709980 3.145096 0.000000\n0.000000 0.000000 8.347151\nTb Sb\n1 2\ndirect\n0.000000 0.000000 0.000000 Tb\n0.000000 0.500001 0.697393 Sb\n0.500000 0.500001 0.302607 Sb\n",
"nsites": 3,
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"elements": [
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"Sb"
],
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"volume": 89.78283812645867,
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{
"id": "jvasp-103262",
"created_at": "2022-09-04T14:38:39.795616Z",
"updated_at": "2022-09-04T14:38:39.795633Z",
"structure_string": "K1 Hg3\n1.0\n4.512017 -0.206912 -3.635374\n-1.160764 4.365058 -3.635374\n0.166760 0.206912 5.791928\nK Hg\n1 3\ndirect\n0.000000 0.000000 0.000000 K\n0.750001 0.250000 0.500001 Hg\n0.250001 0.750000 0.500002 Hg\n0.500001 0.500000 0.000002 Hg\n",
"nsites": 4,
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"elements": [
"K",
"Hg"
],
"chemical_system": "Hg-K",
"density": 8.888893489698868,
"density_atomic": 0.033411025519042264,
"volume": 119.72095851174164,
"volume_molar": 18.02441160199571,
"formula_full": "K1 Hg3",
"formula_reduced": "KHg3",
"formula_anonymous": "AB3",
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"spacegroup": 139
},
{
"id": "jvasp-36969",
"created_at": "2022-09-04T14:38:34.199750Z",
"updated_at": "2022-09-04T14:38:34.199777Z",
"structure_string": "Tl2 Ag2 Br6\n1.0\n6.492793 -0.055255 3.575430\n2.087553 6.148295 3.575430\n-0.077811 -0.055255 7.411748\nTl Ag Br\n2 2 6\ndirect\n0.255485 0.255486 0.255485 Tl\n0.755484 0.755487 0.755485 Tl\n0.005763 0.005763 0.005763 Ag\n0.505762 0.505764 0.505763 Ag\n0.255718 0.812323 0.699211 Br\n0.812321 0.699212 0.255718 Br\n0.699210 0.255720 0.812322 Br\n0.199211 0.312323 0.755718 Br\n0.755718 0.199212 0.312322 Br\n0.312321 0.755719 0.199211 Br\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Tl",
"Ag",
"Br"
],
"chemical_system": "Ag-Br-Tl",
"density": 6.124155568107286,
"density_atomic": 0.03340848342329245,
"volume": 299.3251705950825,
"volume_molar": 18.025783103345997,
"formula_full": "Tl2 Ag2 Br6",
"formula_reduced": "TlAgBr3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.0,
"spacegroup": 167
},
{
"id": "jvasp-41635",
"created_at": "2022-09-04T14:37:46.741709Z",
"updated_at": "2022-09-04T14:37:46.741723Z",
"structure_string": "Ac2 Zn1 Ga1\n1.0\n-0.000000 3.911992 3.911992\n3.911992 0.000000 3.911992\n3.911992 3.911992 0.000000\nAc Zn Ga\n2 1 1\ndirect\n0.500000 0.500000 0.500000 Ac\n0.000000 0.000000 0.000000 Ac\n0.750000 0.750000 0.750000 Zn\n0.250000 0.250000 0.250000 Ga\n",
"nsites": 4,
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"elements": [
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"Zn",
"Ga"
],
"chemical_system": "Ac-Ga-Zn",
"density": 8.170296942376252,
"density_atomic": 0.03340689574152537,
"volume": 119.73575847779023,
"volume_molar": 18.0266397889654,
"formula_full": "Ac2 Zn1 Ga1",
"formula_reduced": "Ac2ZnGa",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-37573",
"created_at": "2022-09-04T14:37:54.866520Z",
"updated_at": "2022-09-04T14:37:54.866533Z",
"structure_string": "Tl6 Bi2 Cl12\n1.0\n8.969517 0.000000 0.000000\n-0.000000 8.969517 0.000000\n0.000000 0.000000 7.441974\nTl Bi Cl\n6 2 12\ndirect\n0.500000 0.500000 0.000000 Tl\n0.500000 0.500000 0.500000 Tl\n0.266411 0.082168 0.000000 Tl\n0.733589 0.917833 0.000000 Tl\n0.082168 0.733589 0.500000 Tl\n0.917833 0.266411 0.500000 Tl\n0.000000 0.500000 0.000000 Bi\n0.500000 -0.000000 0.500000 Bi\n0.797579 0.934711 0.500000 Cl\n0.202421 0.065289 0.500000 Cl\n0.205768 0.434036 0.257576 Cl\n0.794232 0.565964 0.257576 Cl\n0.565964 0.205768 0.757576 Cl\n0.434036 0.794232 0.242423 Cl\n0.794232 0.565964 0.742423 Cl\n0.205768 0.434036 0.742423 Cl\n0.065289 0.797579 0.000000 Cl\n0.565964 0.205768 0.242423 Cl\n0.434036 0.794232 0.757576 Cl\n0.934711 0.202421 0.000000 Cl\n",
"nsites": 20,
"nelements": 3,
"elements": [
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"Bi",
"Cl"
],
"chemical_system": "Bi-Cl-Tl",
"density": 5.740232994411016,
"density_atomic": 0.033404404393847446,
"volume": 598.7234426991812,
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"formula_full": "Tl6 Bi2 Cl12",
"formula_reduced": "Tl3BiCl6",
"formula_anonymous": "AB3C6",
"energy_above_hull": 0.0,
"spacegroup": 84
},
{
"id": "jvasp-115902",
"created_at": "2022-09-04T14:38:39.862893Z",
"updated_at": "2022-09-04T14:38:39.862909Z",
"structure_string": "P1 Cl2\n1.0\n6.680391 0.000000 0.000000\n0.000000 4.216912 0.000000\n0.000000 0.000000 3.188105\nP Cl\n1 2\ndirect\n0.000000 0.297360 0.000000 P\n0.243808 -0.004680 0.000000 Cl\n0.756192 -0.004680 0.000000 Cl\n",
"nsites": 3,
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"elements": [
"P",
"Cl"
],
"chemical_system": "Cl-P",
"density": 1.8836837117019014,
"density_atomic": 0.03340351873743567,
"volume": 89.81089757582542,
"volume_molar": 18.02846223278545,
"formula_full": "P1 Cl2",
"formula_reduced": "PCl2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.8145312116666666,
"spacegroup": 25
},
{
"id": "jvasp-100495",
"created_at": "2022-09-04T14:36:37.356712Z",
"updated_at": "2022-09-04T14:36:37.356727Z",
"structure_string": "Mg2 Bi6\n1.0\n7.028974 -0.000000 -0.000000\n-3.514487 6.087270 0.000000\n-0.000000 0.000000 5.597793\nMg Bi\n2 6\ndirect\n0.666666 0.333333 0.250000 Mg\n0.333333 0.666667 0.750000 Mg\n0.174179 0.348357 0.250000 Bi\n0.174178 0.825821 0.250000 Bi\n0.651643 0.825821 0.250000 Bi\n0.348356 0.174179 0.750000 Bi\n0.825821 0.174179 0.750000 Bi\n0.825820 0.651643 0.750000 Bi\n",
"nsites": 8,
"nelements": 2,
"elements": [
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],
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"density": 9.030108291294011,
"density_atomic": 0.03340093698942636,
"volume": 239.5142388530159,
"volume_molar": 18.029855754964032,
"formula_full": "Mg2 Bi6",
"formula_reduced": "MgBi3",
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"energy_above_hull": 0.6819341428571429,
"spacegroup": 194
},
{
"id": "jvasp-18718",
"created_at": "2022-09-04T14:36:51.375893Z",
"updated_at": "2022-09-04T14:36:51.375918Z",
"structure_string": "Th4 Hg2\n1.0\n5.280116 0.000000 2.863272\n2.640058 5.468773 1.431635\n0.033115 0.000000 6.239061\nTh Hg\n4 2\ndirect\n0.154212 0.500000 0.191576 Th\n0.345788 0.808423 0.500000 Th\n0.654212 0.191576 0.500000 Th\n0.845788 0.500000 0.808424 Th\n0.250000 -0.000000 -0.000000 Hg\n0.750001 -0.000000 -0.000000 Hg\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Th",
"Hg"
],
"chemical_system": "Hg-Th",
"density": 12.288018092860838,
"density_atomic": 0.033400306897938895,
"volume": 179.6390679383325,
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"formula_full": "Th4 Hg2",
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"spacegroup": 140
},
{
"id": "jvasp-82027",
"created_at": "2022-09-04T14:37:18.980451Z",
"updated_at": "2022-09-04T14:37:18.980477Z",
"structure_string": "Li1 Ca1 Tl2\n1.0\n-10.281109 0.000000 -5.935801\n-6.683421 -1.197542 -0.295577\n-5.090317 3.308438 -3.054916\nLi Ca Tl\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.000000 0.000000 Ca\n0.777364 0.000000 0.000000 Tl\n0.222636 0.000000 0.000000 Tl\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Ca-Li-Tl",
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"volume": 119.76823143981568,
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"formula_full": "Li1 Ca1 Tl2",
"formula_reduced": "LiCaTl2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.09507,
"spacegroup": 71
},
{
"id": "jvasp-10081",
"created_at": "2022-09-04T14:38:04.888486Z",
"updated_at": "2022-09-04T14:38:04.888519Z",
"structure_string": "Sr4 Ca4 Si4\n1.0\n4.919385 -0.000000 0.000000\n0.000000 8.047715 0.000000\n0.000000 0.000000 9.076236\nSr Ca Si\n4 4 4\ndirect\n0.250000 0.521532 0.179981 Sr\n0.250000 0.021532 0.320019 Sr\n0.749999 0.978469 0.679981 Sr\n0.749999 0.478468 0.820019 Sr\n0.749999 0.351730 0.425657 Ca\n0.250000 0.148271 0.925658 Ca\n0.749999 0.851730 0.074343 Ca\n0.250000 0.648271 0.574343 Ca\n0.250000 0.767455 0.894598 Si\n0.250000 0.267455 0.605402 Si\n0.749999 0.232545 0.105402 Si\n0.749999 0.732546 0.394598 Si\n",
"nsites": 12,
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"elements": [
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],
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"density": 2.879661004327708,
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"volume": 359.32644473487136,
"volume_molar": 18.0326202415313,
"formula_full": "Sr4 Ca4 Si4",
"formula_reduced": "SrCaSi",
"formula_anonymous": "ABC",
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"spacegroup": 62
},
{
"id": "jvasp-33220",
"created_at": "2022-09-04T14:38:13.642067Z",
"updated_at": "2022-09-04T14:38:13.642093Z",
"structure_string": "Ga4 Se6\n1.0\n4.370479 -0.000000 -2.498488\n-2.846257 9.421937 -4.978813\n1.524930 -1.910171 7.739256\nGa Se\n4 6\ndirect\n0.375630 0.597105 0.751277 Ga\n0.375646 0.097105 0.751277 Ga\n0.004667 0.471926 0.000864 Ga\n-0.003803 0.971926 0.000864 Ga\n0.902362 0.887407 0.186942 Se\n0.198501 0.830748 0.718532 Se\n0.284579 0.387407 0.186942 Se\n0.520029 0.330748 0.718532 Se\n0.902181 0.242617 0.186988 Se\n0.284807 0.742617 0.186988 Se\n",
"nsites": 10,
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"elements": [
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"density": 4.173832435532062,
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"volume": 299.4389614003043,
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"formula_full": "Ga4 Se6",
"formula_reduced": "Ga2Se3",
"formula_anonymous": "A2B3",
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"spacegroup": 46
}
]
}