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=formula_anonymous&page=4455",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_anonymous&page=4453",
"results": [
{
"id": "jvasp-99108",
"created_at": "2022-09-04T14:35:51.705893Z",
"updated_at": "2022-09-04T14:35:51.705918Z",
"structure_string": "Cu1 Mo1 F6\n1.0\n5.015903 0.029310 0.017017\n2.476033 3.685986 2.332709\n-0.016939 -0.081030 5.538432\nCu Mo F\n1 1 6\ndirect\n0.000000 0.000000 0.000000 Cu\n0.500000 0.000000 0.500000 Mo\n0.737087 0.848990 0.261158 F\n0.262911 0.151011 0.738842 F\n0.585987 0.524294 0.738869 F\n0.414011 0.475707 0.261131 F\n0.110436 0.152519 0.261205 F\n0.889562 0.847482 0.738795 F\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Cu",
"Mo",
"F"
],
"chemical_system": "Cu-F-Mo",
"density": 4.411475586709612,
"density_atomic": 0.07771500600853175,
"volume": 102.94022236994667,
"volume_molar": 7.749006362218996,
"formula_full": "Cu1 Mo1 F6",
"formula_reduced": "CuMoF6",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.3979147556249999,
"spacegroup": 148
},
{
"id": "jvasp-3801",
"created_at": "2022-09-04T14:35:49.787321Z",
"updated_at": "2022-09-04T14:35:49.787348Z",
"structure_string": "Rb1 Bi1 F6\n1.0\n5.131220 -0.029132 -0.604636\n-0.676676 5.086490 -0.604637\n-0.025660 -0.029131 5.166657\nRb Bi F\n1 1 6\ndirect\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Bi\n0.211787 0.926292 0.340981 F\n0.926291 0.340982 0.211787 F\n0.659018 0.788212 0.073708 F\n0.073708 0.659019 0.788212 F\n0.788212 0.073709 0.659019 F\n0.340981 0.211789 0.926292 F\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Rb",
"Bi",
"F"
],
"chemical_system": "Bi-F-Rb",
"density": 5.04012711347182,
"density_atomic": 0.05945050934813056,
"volume": 134.56570999507446,
"volume_molar": 10.129670588245967,
"formula_full": "Rb1 Bi1 F6",
"formula_reduced": "RbBiF6",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0,
"spacegroup": 148
},
{
"id": "jvasp-94088",
"created_at": "2022-09-04T14:35:58.389754Z",
"updated_at": "2022-09-04T14:35:58.389773Z",
"structure_string": "Mg6 Ni1 Mo1\n1.0\n6.128161 -0.152223 0.000000\n-3.195910 5.231031 0.000000\n0.000000 0.000000 4.719114\nMg Ni Mo\n6 1 1\ndirect\n0.176632 0.847462 0.250000 Mg\n0.652538 0.323368 0.250000 Mg\n0.672933 0.827067 0.250000 Mg\n0.322080 0.663956 0.749999 Mg\n0.836044 0.177920 0.749999 Mg\n0.830421 0.669579 0.749999 Mg\n0.196494 0.303506 0.250000 Ni\n0.312859 0.187141 0.749999 Mo\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Mg",
"Ni",
"Mo"
],
"chemical_system": "Mg-Mo-Ni",
"density": 3.348914983509255,
"density_atomic": 0.05369742186485361,
"volume": 148.98294409989566,
"volume_molar": 11.21495325260979,
"formula_full": "Mg6 Ni1 Mo1",
"formula_reduced": "Mg6NiMo",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.3032378249999999,
"spacegroup": 38
},
{
"id": "jvasp-94754",
"created_at": "2022-09-04T14:35:53.035931Z",
"updated_at": "2022-09-04T14:35:53.035960Z",
"structure_string": "Mg6 Al1 Si1\n1.0\n6.140281 -0.041377 0.000000\n-3.105975 5.296952 0.000000\n0.000000 0.000000 5.081168\nMg Al Si\n6 1 1\ndirect\n0.166564 0.846000 0.250000 Mg\n0.654000 0.333435 0.250000 Mg\n0.665817 0.834182 0.250000 Mg\n0.335293 0.657601 0.750000 Mg\n0.842398 0.164706 0.750000 Mg\n0.835105 0.664894 0.750000 Mg\n0.158962 0.341038 0.250000 Al\n0.341860 0.158139 0.750000 Si\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Mg",
"Al",
"Si"
],
"chemical_system": "Al-Mg-Si",
"density": 2.0265822372457842,
"density_atomic": 0.048599475965107226,
"volume": 164.61082843246558,
"volume_molar": 12.391369743006475,
"formula_full": "Mg6 Al1 Si1",
"formula_reduced": "Mg6AlSi",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0004525000000001,
"spacegroup": 38
},
{
"id": "jvasp-106163",
"created_at": "2022-09-04T14:35:58.498172Z",
"updated_at": "2022-09-04T14:35:58.498202Z",
"structure_string": "Zn1 Ni1 F6\n1.0\n4.366555 0.093311 2.874904\n1.597068 4.065080 2.874904\n0.133819 0.093311 5.226276\nZn Ni F\n1 1 6\ndirect\n0.500000 0.500000 0.500000 Zn\n0.000000 0.000000 0.000000 Ni\n0.914664 0.229210 0.618551 F\n0.229211 0.618551 0.914664 F\n0.381449 0.085335 0.770790 F\n0.770789 0.381449 0.085335 F\n0.085336 0.770789 0.381448 F\n0.618551 0.914664 0.229210 F\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Zn",
"Ni",
"F"
],
"chemical_system": "F-Ni-Zn",
"density": 4.406690412986757,
"density_atomic": 0.08916761135791414,
"volume": 89.71867562862504,
"volume_molar": 6.753731167954518,
"formula_full": "Zn1 Ni1 F6",
"formula_reduced": "ZnNiF6",
"formula_anonymous": "ABC6",
"energy_above_hull": 1.2499999999804334e-06,
"spacegroup": 148
},
{
"id": "jvasp-93160",
"created_at": "2022-09-04T14:35:47.315839Z",
"updated_at": "2022-09-04T14:35:47.315865Z",
"structure_string": "Li1 Mg6 Sb1\n1.0\n6.372989 0.023311 0.000000\n-3.166308 5.530825 0.000000\n0.000000 0.000000 5.073898\nLi Mg Sb\n1 6 1\ndirect\n0.166690 0.333310 0.250000 Li\n0.163104 0.821549 0.250000 Mg\n0.678451 0.336896 0.250000 Mg\n0.664122 0.835879 0.250000 Mg\n0.332910 0.663809 0.750000 Mg\n0.836192 0.167090 0.750000 Mg\n0.831604 0.668396 0.750000 Mg\n0.326924 0.173076 0.750000 Sb\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Li",
"Mg",
"Sb"
],
"chemical_system": "Li-Mg-Sb",
"density": 2.5436491035442677,
"density_atomic": 0.04463820246423185,
"volume": 179.2186862006892,
"volume_molar": 13.491001939035252,
"formula_full": "Li1 Mg6 Sb1",
"formula_reduced": "LiMg6Sb",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0,
"spacegroup": 38
},
{
"id": "jvasp-94121",
"created_at": "2022-09-04T14:35:50.786835Z",
"updated_at": "2022-09-04T14:35:50.786854Z",
"structure_string": "Mg6 Si1 Ni1\n1.0\n6.020366 -0.158919 0.000000\n-3.147810 5.452168 0.000000\n0.000000 0.000000 4.661460\nMg Si Ni\n6 1 1\ndirect\n0.676698 0.335839 0.250000 Mg\n0.676698 0.840857 0.250000 Mg\n0.318814 0.171764 0.750000 Mg\n0.318814 0.647052 0.750000 Mg\n0.844582 0.172291 0.750000 Mg\n0.835786 0.667894 0.750000 Mg\n0.167980 0.833990 0.250000 Si\n0.160631 0.330316 0.250000 Ni\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Mg",
"Si",
"Ni"
],
"chemical_system": "Mg-Ni-Si",
"density": 2.5634866003301675,
"density_atomic": 0.0530940205603382,
"volume": 150.67610091626938,
"volume_molar": 11.34240861107174,
"formula_full": "Mg6 Si1 Ni1",
"formula_reduced": "Mg6SiNi",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0004825000000001,
"spacegroup": 38
},
{
"id": "jvasp-93163",
"created_at": "2022-09-04T14:35:53.081947Z",
"updated_at": "2022-09-04T14:35:53.081976Z",
"structure_string": "Li1 Mg6 Bi1\n1.0\n6.468075 0.021208 0.000000\n-3.215671 5.612120 0.000000\n0.000000 0.000000 5.112544\nLi Mg Bi\n1 6 1\ndirect\n0.164034 0.335966 0.250000 Li\n0.160680 0.814007 0.250000 Mg\n0.685993 0.339320 0.250000 Mg\n0.664517 0.835482 0.250000 Mg\n0.333203 0.666110 0.749999 Mg\n0.833889 0.166798 0.749999 Mg\n0.830795 0.669205 0.749999 Mg\n0.326887 0.173113 0.749999 Bi\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Li",
"Mg",
"Bi"
],
"chemical_system": "Bi-Li-Mg",
"density": 3.230762978845626,
"density_atomic": 0.04302647492732054,
"volume": 185.93203402122623,
"volume_molar": 13.996361008361664,
"formula_full": "Li1 Mg6 Bi1",
"formula_reduced": "LiMg6Bi",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0,
"spacegroup": 38
},
{
"id": "jvasp-91953",
"created_at": "2022-09-04T14:35:53.194800Z",
"updated_at": "2022-09-04T14:35:53.194825Z",
"structure_string": "Mg6 Fe1 Si1\n1.0\n6.038016 -0.023396 0.000000\n-3.039269 5.264169 0.000000\n0.000000 0.000000 4.804767\nMg Fe Si\n6 1 1\ndirect\n0.667533 0.332225 0.250000 Mg\n0.667533 0.835306 0.250000 Mg\n0.325427 0.170002 0.750001 Mg\n0.325427 0.655424 0.750001 Mg\n0.847891 0.173945 0.750001 Mg\n0.839611 0.669805 0.750001 Mg\n0.165132 0.332565 0.250000 Fe\n0.161450 0.830725 0.250000 Si\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Mg",
"Fe",
"Si"
],
"chemical_system": "Fe-Mg-Si",
"density": 2.5038061487232577,
"density_atomic": 0.052500836544404045,
"volume": 152.37852435425057,
"volume_molar": 11.470561530779813,
"formula_full": "Mg6 Fe1 Si1",
"formula_reduced": "Mg6FeSi",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.2324685499999998,
"spacegroup": 38
},
{
"id": "jvasp-24414",
"created_at": "2022-09-04T14:38:31.358017Z",
"updated_at": "2022-09-04T14:38:31.358044Z",
"structure_string": "Mn1 Sn1 F6\n1.0\n4.685943 0.085355 3.216416\n1.738391 4.352395 3.216417\n0.123565 0.085355 5.682265\nMn Sn F\n1 1 6\ndirect\n0.500000 0.500002 0.500000 Mn\n0.000000 0.000000 0.000000 Sn\n0.243893 0.897436 0.615933 F\n0.897433 0.615935 0.243894 F\n0.384066 0.756109 0.102567 F\n0.102566 0.384068 0.756106 F\n0.756107 0.102568 0.384066 F\n0.615933 0.243895 0.897433 F\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Mn",
"Sn",
"F"
],
"chemical_system": "F-Mn-Sn",
"density": 4.244059416341191,
"density_atomic": 0.07108457703367894,
"volume": 112.54199340891773,
"volume_molar": 8.471796571493686,
"formula_full": "Mn1 Sn1 F6",
"formula_reduced": "MnSnF6",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.2325575795474136,
"spacegroup": 148
},
{
"id": "jvasp-106382",
"created_at": "2022-09-04T14:38:39.795970Z",
"updated_at": "2022-09-04T14:38:39.795983Z",
"structure_string": "Al1 Cu1 Ni6\n1.0\n3.554931 -0.000000 -0.000000\n-0.000000 3.554931 -0.000000\n0.000000 -0.000000 7.107434\nAl Cu Ni\n1 1 6\ndirect\n0.000000 0.000000 0.000000 Al\n0.000000 0.000000 0.500000 Cu\n0.500000 0.500000 0.000000 Ni\n0.500000 0.500000 0.500000 Ni\n0.500000 0.000000 0.250890 Ni\n0.500000 0.000000 0.749109 Ni\n0.000000 0.500000 0.250890 Ni\n0.000000 0.500000 0.749109 Ni\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Al",
"Cu",
"Ni"
],
"chemical_system": "Al-Cu-Ni",
"density": 8.18411267887203,
"density_atomic": 0.08906658486475454,
"volume": 89.82044177564242,
"volume_molar": 6.761391793728788,
"formula_full": "Al1 Cu1 Ni6",
"formula_reduced": "AlCuNi6",
"formula_anonymous": "ABC6",
"energy_above_hull": 1.06580720625,
"spacegroup": 123
},
{
"id": "jvasp-110525",
"created_at": "2022-09-04T14:38:39.205054Z",
"updated_at": "2022-09-04T14:38:39.205070Z",
"structure_string": "V6 Ga1 Si1\n1.0\n4.738906 0.000000 -0.000000\n0.000000 4.738906 -0.000000\n0.000000 0.000000 4.738906\nV Ga Si\n6 1 1\ndirect\n0.000000 0.500000 0.757780 V\n0.500000 0.242220 0.000000 V\n0.757780 0.000000 0.500000 V\n0.000000 0.500000 0.242220 V\n0.500000 0.757780 0.000000 V\n0.242220 0.000000 0.500000 V\n0.500000 0.500000 0.500000 Ga\n0.000000 0.000000 0.000000 Si\n",
"nsites": 8,
"nelements": 3,
"elements": [
"V",
"Ga",
"Si"
],
"chemical_system": "Ga-Si-V",
"density": 6.295244582599623,
"density_atomic": 0.07517193064081061,
"volume": 106.4227023544986,
"volume_molar": 8.011156170479676,
"formula_full": "V6 Ga1 Si1",
"formula_reduced": "V6GaSi",
"formula_anonymous": "ABC6",
"energy_above_hull": 4.163758265625,
"spacegroup": 200
}
]
}