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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-spacegroup&page=4571",
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"results": [
{
"id": "jvasp-117445",
"created_at": "2022-09-04T14:38:27.510073Z",
"updated_at": "2022-09-04T14:38:27.510091Z",
"structure_string": "Li4 V4 O4 F16\n1.0\n5.071488 0.019780 -0.133363\n-0.204619 6.961758 -2.783560\n-0.166650 -0.080659 9.541291\nLi V O F\n4 4 4 16\ndirect\n0.056761 0.611565 0.373957 Li\n0.292330 0.645725 0.764151 Li\n0.016824 0.101269 0.383104 Li\n0.511428 0.145031 0.890676 Li\n0.560037 0.942276 0.496471 V\n0.534777 0.455176 0.477949 V\n0.956400 0.559177 0.004870 V\n0.012362 0.054225 0.006451 V\n0.811259 0.363600 0.410190 O\n0.151700 0.247347 0.001494 O\n0.835030 0.756239 0.002733 O\n0.670229 0.734786 0.490472 O\n0.688531 0.379460 0.914943 F\n0.136639 0.057630 0.189078 F\n0.362283 0.243622 0.484456 F\n0.113049 0.468662 0.820801 F\n0.701693 0.144018 0.086330 F\n0.629519 0.549363 0.678333 F\n0.363547 0.447357 0.305901 F\n0.226432 0.872084 0.404369 F\n0.279293 0.892191 0.909072 F\n0.862379 0.558454 0.189230 F\n0.822875 0.964384 0.824797 F\n0.277893 0.638867 0.090437 F\n0.834586 0.109386 0.579852 F\n0.666311 0.949180 0.320303 F\n0.216403 0.617893 0.563591 F\n0.400740 0.042695 0.673508 F\n",
"nsites": 28,
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"elements": [
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],
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"density": 2.9661283354786274,
"density_atomic": 0.08342730186311512,
"volume": 335.62154564151575,
"volume_molar": 7.218429249792758,
"formula_full": "Li4 V4 O4 F16",
"formula_reduced": "LiVOF4",
"formula_anonymous": "ABCD4",
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{
"id": "jvasp-117452",
"created_at": "2022-09-04T14:38:27.578131Z",
"updated_at": "2022-09-04T14:38:27.578149Z",
"structure_string": "Li3 V6 O3 F15\n1.0\n5.246977 0.017781 1.446895\n1.481729 6.702839 -2.991696\n0.026191 0.014439 8.672300\nLi V O F\n3 6 3 15\ndirect\n0.412248 0.721991 0.006694 Li\n0.902808 0.467071 0.349681 Li\n0.438663 0.209357 0.982881 Li\n0.647085 0.329152 0.674792 V\n0.667673 0.826426 0.655294 V\n0.018664 0.493633 0.985808 V\n0.357728 0.667467 0.343473 V\n0.006535 0.001344 0.010439 V\n0.327033 0.148271 0.327554 V\n0.228391 0.015536 0.136080 O\n0.572370 0.679748 0.468943 O\n0.365599 0.383463 0.866818 O\n0.303944 0.989881 0.809135 F\n0.718995 0.038400 0.576659 F\n0.747620 0.009196 0.879417 F\n0.622485 0.633684 0.766451 F\n0.947930 0.303716 0.461284 F\n0.424862 0.331845 0.527574 F\n0.626509 0.629451 0.114113 F\n0.037764 0.679400 0.527722 F\n0.374274 0.366537 0.233586 F\n0.944648 0.307420 0.103349 F\n0.277470 0.958451 0.428677 F\n0.061791 0.708452 0.906292 F\n0.101921 0.664600 0.204015 F\n0.699449 0.022880 0.205485 F\n0.907380 0.321422 0.791081 F\n",
"nsites": 27,
"nelements": 4,
"elements": [
"Li",
"V",
"O",
"F"
],
"chemical_system": "F-Li-O-V",
"density": 3.592928506132725,
"density_atomic": 0.08858982434072145,
"volume": 304.7754096018577,
"volume_molar": 6.797779321514973,
"formula_full": "Li3 V6 O3 F15",
"formula_reduced": "LiV2OF5",
"formula_anonymous": "ABC2D5",
"energy_above_hull": 1.131315923611111,
"spacegroup": 1
},
{
"id": "jvasp-118633",
"created_at": "2022-09-04T14:38:27.719778Z",
"updated_at": "2022-09-04T14:38:27.719789Z",
"structure_string": "Al1 N3\n1.0\n4.153797 -0.229447 0.155991\n-0.482465 -3.188059 -0.144443\n0.455001 -0.820778 -4.044015\nAl N\n1 3\ndirect\n0.177671 0.501898 0.605256 Al\n0.153849 -0.049111 0.772271 N\n0.572981 0.613199 0.279605 N\n-0.151381 0.621236 0.272300 N\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Al",
"N"
],
"chemical_system": "Al-N",
"density": 2.1292864485440823,
"density_atomic": 0.07433367077125769,
"volume": 53.81141491463468,
"volume_molar": 8.101497877767335,
"formula_full": "Al1 N3",
"formula_reduced": "AlN3",
"formula_anonymous": "AB3",
"energy_above_hull": 4.2974531375,
"spacegroup": 1
},
{
"id": "jvasp-117739",
"created_at": "2022-09-04T14:38:28.007950Z",
"updated_at": "2022-09-04T14:38:28.007970Z",
"structure_string": "Bi1 N3\n1.0\n6.211843 0.579731 0.185114\n1.383515 -3.439732 0.587407\n0.519171 1.130502 -3.179695\nBi N\n1 3\ndirect\n0.927430 0.036783 -0.142011 Bi\n0.791550 0.475694 0.592942 N\n0.356212 0.441867 0.996700 N\n0.369007 0.118314 0.774264 N\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Bi",
"N"
],
"chemical_system": "Bi-N",
"density": 6.205745006745616,
"density_atomic": 0.059556646244456356,
"volume": 67.16294909524606,
"volume_molar": 10.111618332707161,
"formula_full": "Bi1 N3",
"formula_reduced": "BiN3",
"formula_anonymous": "AB3",
"energy_above_hull": 4.2368385125,
"spacegroup": 1
},
{
"id": "jvasp-53354",
"created_at": "2022-09-04T14:38:28.257094Z",
"updated_at": "2022-09-04T14:38:28.257105Z",
"structure_string": "Nd2 O6\n1.0\n4.152714 0.023144 0.095174\n-2.092368 -3.683361 -0.227427\n-1.984493 -0.067754 -7.436144\nNd O\n2 6\ndirect\n0.270593 0.784018 0.746691 Nd\n0.767796 0.181323 0.355097 Nd\n0.910685 0.131512 0.665369 O\n0.307173 0.437495 0.182116 O\n0.119847 0.821954 0.415927 O\n0.430523 0.772377 0.092924 O\n0.660850 0.437877 0.865495 O\n0.532677 0.436898 0.674499 O\n",
"nsites": 8,
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"elements": [
"Nd",
"O"
],
"chemical_system": "Nd-O",
"density": 5.6676579087729335,
"density_atomic": 0.07101830671826796,
"volume": 112.6470113084542,
"volume_molar": 8.479701978660287,
"formula_full": "Nd2 O6",
"formula_reduced": "NdO3",
"formula_anonymous": "AB3",
"energy_above_hull": 1.75744675,
"spacegroup": 1
},
{
"id": "jvasp-52210",
"created_at": "2022-09-04T14:38:28.279346Z",
"updated_at": "2022-09-04T14:38:28.279366Z",
"structure_string": "Cu6 O1 F11\n1.0\n4.621900 0.006927 0.010040\n0.065170 5.441001 -0.019780\n0.264553 0.382677 8.160592\nCu O F\n6 1 11\ndirect\n0.003261 0.998950 -0.000567 Cu\n0.523179 0.496878 0.984134 Cu\n0.983027 0.343218 0.674114 Cu\n0.506768 0.820184 0.668703 Cu\n0.495383 0.169627 0.335682 Cu\n0.002156 0.665915 0.330406 Cu\n0.696873 0.541632 0.764650 O\n0.704185 0.197571 0.092675 F\n0.309171 0.464021 0.229991 F\n0.696982 0.872008 0.427792 F\n0.793770 0.373892 0.414869 F\n0.789313 0.047410 0.756692 F\n0.287440 0.126383 0.583274 F\n0.299758 0.800539 0.906213 F\n0.205027 0.962228 0.250635 F\n0.203100 0.292685 0.913853 F\n0.193452 0.623299 0.574343 F\n0.807145 0.703566 0.092536 F\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Cu",
"O",
"F"
],
"chemical_system": "Cu-F-O",
"density": 4.905116630766099,
"density_atomic": 0.08770318825038648,
"volume": 205.2376927120512,
"volume_molar": 6.8665015264977685,
"formula_full": "Cu6 O1 F11",
"formula_reduced": "Cu6OF11",
"formula_anonymous": "AB6C11",
"energy_above_hull": 0.0004155555555555,
"spacegroup": 1
},
{
"id": "jvasp-51704",
"created_at": "2022-09-04T14:38:28.506075Z",
"updated_at": "2022-09-04T14:38:28.506101Z",
"structure_string": "Li8 H12 Ru2\n1.0\n4.040980 2.333061 3.279682\n-4.040980 2.333061 3.279682\n0.000000 -4.666123 3.279682\nLi H Ru\n8 12 2\ndirect\n0.250000 0.250000 0.250000 Li\n0.749999 0.749999 0.749999 Li\n0.625788 0.874211 0.250000 Li\n0.874211 0.250000 0.625789 Li\n0.250000 0.625789 0.874210 Li\n0.125789 0.750000 0.374211 Li\n0.750000 0.374211 0.125789 Li\n0.374211 0.125789 0.750000 Li\n0.293141 0.953148 0.059581 H\n0.059581 0.293141 0.953147 H\n0.953148 0.059581 0.293141 H\n0.559581 0.453148 0.793140 H\n0.793140 0.559581 0.453148 H\n0.453148 0.793140 0.559581 H\n0.440418 0.546852 0.206859 H\n0.940418 0.706859 0.046852 H\n0.046852 0.940418 0.706859 H\n0.500000 0.500000 0.500000 H\n0.206859 0.440418 0.546852 H\n0.546852 0.206859 0.440418 H\n0.706859 0.046852 0.940418 Ru\n0.000000 0.000000 0.000000 Ru\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Li",
"H",
"Ru"
],
"chemical_system": "H-Li-Ru",
"density": 2.414549355902046,
"density_atomic": 0.11858420247602178,
"volume": 185.52218204991084,
"volume_molar": 5.078366792758675,
"formula_full": "Li8 H12 Ru2",
"formula_reduced": "Li4H6Ru",
"formula_anonymous": "AB4C6",
"energy_above_hull": 2.4564291363636364,
"spacegroup": 1
},
{
"id": "jvasp-117826",
"created_at": "2022-09-04T14:38:28.825215Z",
"updated_at": "2022-09-04T14:38:28.825238Z",
"structure_string": "Br2 O1\n1.0\n4.014662 0.863785 -0.563438\n-1.566409 -4.009490 0.643756\n-0.455236 3.552678 -5.230236\nBr O\n2 1\ndirect\n0.328530 0.543823 0.642600 Br\n0.924009 0.296376 0.131974 Br\n-0.081567 0.014141 0.269057 O\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Br",
"O"
],
"chemical_system": "Br-O",
"density": 4.063566034288137,
"density_atomic": 0.04175825361360487,
"volume": 71.84208486684888,
"volume_molar": 14.421438252000993,
"formula_full": "Br2 O1",
"formula_reduced": "Br2O",
"formula_anonymous": "AB2",
"energy_above_hull": 0.7218005700000003,
"spacegroup": 1
},
{
"id": "jvasp-117829",
"created_at": "2022-09-04T14:38:28.903590Z",
"updated_at": "2022-09-04T14:38:28.903613Z",
"structure_string": "Br1 O2\n1.0\n3.895527 0.025752 -0.171392\n0.204703 -3.448923 -0.150781\n1.275828 -2.673088 -3.177453\nBr O\n1 2\ndirect\n-0.104382 0.157506 0.932853 Br\n0.451544 0.044867 0.239956 O\n0.865205 0.195437 0.534227 O\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Br",
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],
"chemical_system": "Br-O",
"density": 4.591344070776912,
"density_atomic": 0.07412608160304779,
"volume": 40.4715848338684,
"volume_molar": 8.124186021661224,
"formula_full": "Br1 O2",
"formula_reduced": "BrO2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.5940770350000006,
"spacegroup": 1
},
{
"id": "jvasp-115982",
"created_at": "2022-09-04T14:38:29.889478Z",
"updated_at": "2022-09-04T14:38:29.889507Z",
"structure_string": "Cu1 I3\n1.0\n5.966148 -0.233840 0.666441\n3.200110 -7.729526 0.980799\n-0.725348 1.669280 -3.702938\nCu I\n1 3\ndirect\n0.066850 0.087560 0.609682 Cu\n0.113940 0.865896 -0.113246 I\n0.333323 0.335549 0.877921 I\n0.776216 0.446539 0.978011 I\n",
"nsites": 4,
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"elements": [
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],
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"density": 4.662740118702976,
"density_atomic": 0.025282235288461005,
"volume": 158.21385863874264,
"volume_molar": 23.819653172631252,
"formula_full": "Cu1 I3",
"formula_reduced": "CuI3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0110875,
"spacegroup": 1
},
{
"id": "jvasp-42507",
"created_at": "2022-09-04T14:38:30.166929Z",
"updated_at": "2022-09-04T14:38:30.166957Z",
"structure_string": "Cu6 O1 F11\n1.0\n3.123069 -0.145250 0.018780\n0.324522 4.661826 0.012555\n0.255094 0.398830 14.030543\nCu O F\n6 1 11\ndirect\n0.011641 0.022538 0.997297 Cu\n0.984725 0.991350 0.334376 Cu\n0.007873 0.975889 0.671898 Cu\n0.478692 0.475852 0.502256 Cu\n0.498231 0.507595 0.166015 Cu\n0.519681 0.534803 0.824609 Cu\n0.017020 0.702590 0.767314 O\n0.992949 0.302262 0.232398 F\n0.486498 0.799336 0.268322 F\n0.443799 0.769117 0.600462 F\n0.515064 0.833678 0.934335 F\n0.003357 0.713183 0.100812 F\n0.483970 0.185062 0.400867 F\n0.563829 0.191775 0.734476 F\n0.024764 0.337477 0.896793 F\n0.971489 0.678448 0.435122 F\n0.508861 0.216144 0.064170 F\n0.987535 0.262910 0.568471 F\n",
"nsites": 18,
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"elements": [
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],
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"density": 4.913227281252768,
"density_atomic": 0.08784820618981808,
"volume": 204.8988907195952,
"volume_molar": 6.855166452673666,
"formula_full": "Cu6 O1 F11",
"formula_reduced": "Cu6OF11",
"formula_anonymous": "AB6C11",
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},
{
"id": "jvasp-119371",
"created_at": "2022-09-04T14:38:31.732327Z",
"updated_at": "2022-09-04T14:38:31.732353Z",
"structure_string": "Li6 Ti1 Ni7 O16\n1.0\n5.836828 -0.076095 2.649463\n1.583983 6.046062 1.552852\n0.010520 -0.055767 7.721437\nLi Ti Ni O\n6 1 7 16\ndirect\n0.175066 0.319666 0.440110 Li\n0.945642 0.548323 0.196191 Li\n0.559572 0.934147 0.312051 Li\n0.456958 0.048775 0.682226 Li\n0.055617 0.455040 0.806320 Li\n0.670862 0.824870 0.933157 Li\n0.006541 0.020977 0.000531 Ti\n0.374281 0.619699 0.873152 Ni\n0.748885 0.251430 0.752727 Ni\n0.119656 0.871076 0.627955 Ni\n0.505139 0.501192 0.497679 Ni\n0.874748 0.120608 0.376658 Ni\n0.247190 0.750573 0.255391 Ni\n0.615832 0.370464 0.128056 Ni\n0.793402 0.988951 0.660409 O\n0.051404 0.731589 0.889490 O\n0.433033 0.363860 0.755269 O\n0.445070 0.771282 0.593079 O\n0.830525 0.385401 0.465745 O\n0.928158 0.858531 0.264061 O\n0.082037 0.152108 0.724604 O\n0.677485 0.082748 0.034731 O\n0.550377 0.234600 0.392846 O\n0.567875 0.644972 0.238934 O\n0.954057 0.289102 0.087396 O\n0.193251 0.004965 0.371643 O\n0.289147 0.491480 0.160767 O\n0.688803 0.505866 0.869554 O\n0.183408 0.593031 0.531842 O\n0.339836 0.886369 0.959073 O\n",
"nsites": 30,
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"elements": [
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"O"
],
"chemical_system": "Li-Ni-O-Ti",
"density": 4.591833802096445,
"density_atomic": 0.10968099270678038,
"volume": 273.5205003131361,
"volume_molar": 5.490596512104432,
"formula_full": "Li6 Ti1 Ni7 O16",
"formula_reduced": "Li6TiNi7O16",
"formula_anonymous": "AB6C7D16",
"energy_above_hull": 2.255333371111111,
"spacegroup": 1
}
]
}