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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-volume&page=13",
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"results": [
{
"id": "jvasp-87896",
"created_at": "2022-09-04T14:35:57.173681Z",
"updated_at": "2022-09-04T14:35:57.173709Z",
"structure_string": "Ba6 Na2 Si46\n1.0\n10.385318 0.000000 -0.000000\n-0.000000 10.385318 -0.000000\n-0.000000 -0.000000 10.385318\nBa Na Si\n6 2 46\ndirect\n0.750000 0.500000 0.000000 Ba\n0.500000 0.000000 0.750000 Ba\n0.000000 0.750000 0.500000 Ba\n0.000000 0.250000 0.500000 Ba\n0.250000 0.500000 0.000000 Ba\n0.500000 0.000000 0.250000 Ba\n0.000000 0.000000 0.000000 Na\n0.500000 0.500000 0.500000 Na\n0.195411 0.500000 0.379391 Si\n0.500000 0.620609 0.195411 Si\n0.620609 0.804589 0.500000 Si\n0.379391 0.804589 0.500000 Si\n0.195411 0.500000 0.620609 Si\n0.804589 0.500000 0.620609 Si\n0.120609 0.000000 0.304589 Si\n0.304589 0.120609 0.000000 Si\n0.695411 0.879391 0.000000 Si\n0.120609 0.000000 0.695411 Si\n0.695411 0.120609 0.000000 Si\n0.879391 0.000000 0.304589 Si\n0.879391 0.000000 0.695411 Si\n0.304589 0.879391 0.000000 Si\n0.000000 0.695411 0.879391 Si\n0.000000 0.304589 0.879391 Si\n0.804589 0.500000 0.379391 Si\n0.500000 0.620609 0.804589 Si\n0.500000 0.379391 0.195411 Si\n0.315901 0.684100 0.315901 Si\n0.500000 0.379391 0.804589 Si\n0.620609 0.195411 0.500000 Si\n0.000000 0.304589 0.120609 Si\n0.000000 0.695411 0.120609 Si\n0.250000 0.000000 0.500000 Si\n0.750000 0.000000 0.500000 Si\n0.000000 0.500000 0.250000 Si\n0.000000 0.500000 0.750000 Si\n0.500000 0.750000 0.000000 Si\n0.500000 0.250000 0.000000 Si\n0.184099 0.184099 0.184099 Si\n0.684100 0.315901 0.684100 Si\n0.684100 0.684100 0.315901 Si\n0.684100 0.684100 0.684100 Si\n0.315901 0.684100 0.684100 Si\n0.184099 0.815901 0.815901 Si\n0.815901 0.184099 0.815901 Si\n0.315901 0.315901 0.315901 Si\n0.815901 0.815901 0.815901 Si\n0.815901 0.184099 0.184099 Si\n0.315901 0.315901 0.684100 Si\n0.684100 0.315901 0.315901 Si\n0.379391 0.195411 0.500000 Si\n0.184099 0.815901 0.184099 Si\n0.815901 0.815901 0.184099 Si\n0.184099 0.184099 0.815901 Si\n",
"nsites": 54,
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"elements": [
"Ba",
"Na",
"Si"
],
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"density": 3.2049420880967676,
"density_atomic": 0.04820969257963573,
"volume": 1120.1067069822004,
"volume_molar": 12.491556029012752,
"formula_full": "Ba6 Na2 Si46",
"formula_reduced": "Ba3NaSi23",
"formula_anonymous": "AB3C23",
"energy_above_hull": 3.3479935077777774,
"spacegroup": 223
},
{
"id": "jvasp-5500",
"created_at": "2022-09-04T14:37:40.214398Z",
"updated_at": "2022-09-04T14:37:40.214413Z",
"structure_string": "Os8 Br32\n1.0\n6.345052 0.000000 0.000000\n0.000000 12.031315 0.000000\n0.000000 0.000000 14.635649\nOs Br\n8 32\ndirect\n0.407577 0.628122 0.319165 Os\n0.907577 0.871878 0.680835 Os\n0.592422 0.128122 0.180835 Os\n0.092423 0.371878 0.819165 Os\n0.592422 0.371878 0.680835 Os\n0.092423 0.128122 0.319165 Os\n0.407577 0.871878 0.819165 Os\n0.907577 0.628122 0.180835 Os\n0.237722 0.988557 0.690644 Br\n0.262278 0.011443 0.190644 Br\n0.762278 0.488557 0.809356 Br\n0.262278 0.488557 0.690644 Br\n0.762278 0.011443 0.309356 Br\n0.737722 0.988557 0.809356 Br\n0.244102 0.004231 0.432405 Br\n0.755897 0.504229 0.067595 Br\n0.255897 0.995770 0.932405 Br\n0.737722 0.511442 0.309356 Br\n0.744102 0.495770 0.567595 Br\n0.244102 0.495770 0.932405 Br\n0.744102 0.004231 0.067595 Br\n0.237722 0.511442 0.190644 Br\n0.076729 0.744111 0.309443 Br\n0.923270 0.255889 0.690558 Br\n0.923270 0.244111 0.190558 Br\n0.423270 0.255889 0.809443 Br\n0.755897 0.995770 0.567595 Br\n0.423270 0.244111 0.309443 Br\n0.076729 0.755888 0.809443 Br\n0.576729 0.744111 0.190558 Br\n0.561584 0.750938 0.432190 Br\n0.061584 0.749062 0.567810 Br\n0.438416 0.250938 0.067810 Br\n0.938416 0.249062 0.932190 Br\n0.438416 0.249062 0.567810 Br\n0.938416 0.250938 0.432190 Br\n0.561584 0.749062 0.932190 Br\n0.061584 0.750938 0.067810 Br\n0.576729 0.755888 0.690558 Br\n0.255897 0.504229 0.432405 Br\n",
"nsites": 40,
"nelements": 2,
"elements": [
"Os",
"Br"
],
"chemical_system": "Br-Os",
"density": 6.062026523772711,
"density_atomic": 0.03580137632699734,
"volume": 1117.275482223194,
"volume_molar": 16.820975554112383,
"formula_full": "Os8 Br32",
"formula_reduced": "OsBr4",
"formula_anonymous": "AB4",
"energy_above_hull": 1.1757202840000005,
"spacegroup": 61
},
{
"id": "jvasp-81225",
"created_at": "2022-09-04T14:37:16.733715Z",
"updated_at": "2022-09-04T14:37:16.733740Z",
"structure_string": "Tl1 Sn1 Pb2\n1.0\n-10.258371 0.000786 -5.921391\n-10.198413 0.379817 5.817502\n-6.998356 9.430943 0.274842\nTl Sn Pb\n1 1 2\ndirect\n0.500000 -0.000000 0.000000 Tl\n0.000001 -0.000000 0.000000 Sn\n0.767680 -0.000000 0.000000 Pb\n0.232321 0.000000 0.000000 Pb\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Tl",
"Sn",
"Pb"
],
"chemical_system": "Pb-Sn-Tl",
"density": 1.097832733007315,
"density_atomic": 0.003585824170275323,
"volume": 1115.5036638879246,
"volume_molar": 167.94300205572029,
"formula_full": "Tl1 Sn1 Pb2",
"formula_reduced": "TlSnPb2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.414031485,
"spacegroup": 71
},
{
"id": "jvasp-97924",
"created_at": "2022-09-04T14:35:53.567110Z",
"updated_at": "2022-09-04T14:35:53.567137Z",
"structure_string": "Rb8 Cd8 S12 O48\n1.0\n10.368888 0.000000 -0.000000\n-0.000000 10.368888 -0.000000\n-0.000000 0.000000 10.368888\nRb Cd S O\n8 8 12 48\ndirect\n0.433515 0.933515 0.566485 Rb\n0.566485 0.433515 0.933515 Rb\n0.690008 0.809993 0.190007 Rb\n0.933515 0.566485 0.433515 Rb\n0.309993 0.309993 0.309993 Rb\n0.190007 0.690008 0.809993 Rb\n0.066485 0.066485 0.066485 Rb\n0.809993 0.190007 0.690008 Rb\n0.668621 0.168621 0.331380 Cd\n0.831380 0.831380 0.831380 Cd\n0.914053 0.414053 0.085947 Cd\n0.085947 0.914053 0.414053 Cd\n0.585947 0.585947 0.585947 Cd\n0.168621 0.331380 0.668621 Cd\n0.331380 0.668621 0.168621 Cd\n0.414053 0.085947 0.914053 Cd\n0.372468 0.979501 0.236816 S\n0.872468 0.520500 0.763184 S\n0.627532 0.479501 0.263184 S\n0.263184 0.627532 0.479501 S\n0.763184 0.872468 0.520500 S\n0.520500 0.763184 0.872468 S\n0.236816 0.372468 0.979501 S\n0.127532 0.020499 0.736817 S\n0.736817 0.127532 0.020499 S\n0.020499 0.736817 0.127532 S\n0.979501 0.236816 0.372468 S\n0.479501 0.263184 0.627532 S\n0.973404 0.428366 0.721216 O\n0.306434 0.250671 0.014659 O\n0.726433 0.913799 0.654235 O\n0.845765 0.273567 0.413799 O\n0.273567 0.413799 0.845765 O\n0.345765 0.226433 0.586201 O\n0.154235 0.773567 0.086201 O\n0.773567 0.086201 0.154235 O\n0.086201 0.154235 0.773567 O\n0.473403 0.071634 0.278785 O\n0.347821 -0.014995 0.096692 O\n0.221215 0.526597 0.571634 O\n0.485341 0.693567 0.750671 O\n0.749329 0.514659 0.193566 O\n0.750671 0.485341 0.693567 O\n0.250671 0.014659 0.306434 O\n0.152179 0.014995 0.596692 O\n0.596692 0.152179 0.014995 O\n0.014995 0.596692 0.152179 O\n0.485005 0.403308 0.652179 O\n0.096692 0.347821 -0.014995 O\n-0.014995 0.096692 0.347821 O\n0.903308 0.847822 0.514995 O\n0.403308 0.652179 0.485005 O\n0.514995 0.903308 0.847822 O\n0.652179 0.485005 0.403308 O\n0.847822 0.514995 0.903308 O\n0.193566 0.749329 0.514659 O\n0.428366 0.721216 0.973404 O\n0.693567 0.750671 0.485341 O\n0.014659 0.306434 0.250671 O\n0.721216 0.973404 0.428366 O\n0.071634 0.278785 0.473403 O\n0.278785 0.473403 0.071634 O\n0.571634 0.221215 0.526597 O\n0.928366 0.778785 0.026597 O\n0.778785 0.026597 0.928366 O\n0.026597 0.928366 0.778785 O\n0.654235 0.726433 0.913799 O\n0.586201 0.345765 0.226433 O\n0.913799 0.654235 0.726433 O\n0.413799 0.845765 0.273567 O\n0.249329 -0.014659 0.806434 O\n0.806434 0.249329 -0.014659 O\n-0.014659 0.806434 0.249329 O\n0.514659 0.193566 0.749329 O\n0.226433 0.586201 0.345765 O\n0.526597 0.571634 0.221215 O\n",
"nsites": 76,
"nelements": 4,
"elements": [
"Rb",
"Cd",
"S",
"O"
],
"chemical_system": "Cd-O-Rb-S",
"density": 4.075059660875563,
"density_atomic": 0.06817372774811452,
"volume": 1114.7989483691088,
"volume_molar": 8.833521297603612,
"formula_full": "Rb8 Cd8 S12 O48",
"formula_reduced": "Rb2Cd2(SO4)3",
"formula_anonymous": "A2B2C3D12",
"energy_above_hull": 1.8332390263157887,
"spacegroup": 198
},
{
"id": "jvasp-22788",
"created_at": "2022-09-04T14:37:53.509481Z",
"updated_at": "2022-09-04T14:37:53.509498Z",
"structure_string": "Rb8 Cd12 Se16\n1.0\n6.854575 -0.000000 0.000000\n-0.000000 11.087291 0.000000\n0.000000 0.000000 14.645786\nRb Cd Se\n8 12 16\ndirect\n0.021978 0.250000 0.538747 Rb\n0.521978 0.750000 0.961254 Rb\n0.978021 0.750000 0.461254 Rb\n0.478022 0.250000 0.038747 Rb\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Rb\n0.500000 0.000000 0.500000 Rb\n0.000000 0.500000 0.000000 Rb\n0.746673 0.250000 0.795706 Cd\n0.246674 0.750000 0.704294 Cd\n0.753326 0.250000 0.295706 Cd\n0.310681 0.093595 0.745469 Cd\n0.810681 0.906405 0.754531 Cd\n0.253326 0.750000 0.204294 Cd\n0.189318 0.406405 0.245469 Cd\n0.689318 0.906405 0.254531 Cd\n0.189318 0.093595 0.245469 Cd\n0.310681 0.406405 0.745469 Cd\n0.810681 0.593595 0.754531 Cd\n0.689318 0.593595 0.254531 Cd\n0.609449 0.750000 0.647411 Se\n0.890550 0.750000 0.147411 Se\n0.541292 0.250000 0.639465 Se\n0.041293 0.750000 0.860536 Se\n0.458707 0.750000 0.360536 Se\n0.958707 0.250000 0.139465 Se\n0.591123 0.036098 0.865266 Se\n0.908876 0.463902 0.365266 Se\n0.408877 0.536098 0.134734 Se\n0.408877 0.963902 0.134734 Se\n0.908876 0.036098 0.365266 Se\n0.591123 0.463902 0.865266 Se\n0.091123 0.536098 0.634734 Se\n0.109449 0.250000 0.852589 Se\n0.091123 0.963902 0.634734 Se\n0.390551 0.250000 0.352589 Se\n",
"nsites": 36,
"nelements": 3,
"elements": [
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"Cd",
"Se"
],
"chemical_system": "Cd-Rb-Se",
"density": 4.917248654154916,
"density_atomic": 0.03234326340978405,
"volume": 1113.0602235119466,
"volume_molar": 18.619459278738898,
"formula_full": "Rb8 Cd12 Se16",
"formula_reduced": "Rb2Cd3Se4",
"formula_anonymous": "A2B3C4",
"energy_above_hull": 0.0,
"spacegroup": 62
},
{
"id": "jvasp-97642",
"created_at": "2022-09-04T14:36:13.719571Z",
"updated_at": "2022-09-04T14:36:13.719596Z",
"structure_string": "K4 Bi4 P8 Se24\n1.0\n7.625630 0.000000 0.000000\n0.000000 11.489683 -4.463308\n0.000000 0.156692 12.538472\nK Bi P Se\n4 4 8 24\ndirect\n0.587410 0.408200 0.132251 K\n0.412590 0.591800 0.867749 K\n0.912590 0.408200 0.632251 K\n0.087410 0.591800 0.367749 K\n0.641206 0.881150 0.664865 Bi\n0.141206 0.118849 0.835134 Bi\n0.358794 0.118849 0.335134 Bi\n0.858794 0.881150 0.164865 Bi\n0.904159 0.760376 0.818396 P\n0.372643 0.760454 0.196671 P\n0.404159 0.239624 0.681604 P\n0.595841 0.760376 0.318396 P\n0.872643 0.239546 0.303328 P\n0.627357 0.239546 0.803328 P\n0.095841 0.239624 0.181604 P\n0.127357 0.760454 0.696671 P\n0.817701 0.115316 0.685571 Se\n0.692026 0.945182 0.388657 Se\n0.000744 0.688338 0.945352 Se\n0.003718 0.835102 0.573764 Se\n0.996282 0.164898 0.426236 Se\n0.682299 0.115316 0.185571 Se\n0.192026 0.054818 0.111343 Se\n0.307974 0.054818 0.611343 Se\n0.306334 0.339514 0.299414 Se\n0.499256 0.688338 0.445352 Se\n0.807974 0.945182 0.888657 Se\n0.317701 0.884684 0.814428 Se\n0.500744 0.311661 0.554648 Se\n0.736379 0.414366 0.880119 Se\n0.806334 0.660486 0.200586 Se\n0.193666 0.339513 0.799414 Se\n0.182299 0.884684 0.314428 Se\n0.496282 0.835102 0.073764 Se\n-0.000744 0.311662 0.054648 Se\n0.693666 0.660486 0.700586 Se\n0.236379 0.585634 0.619880 Se\n0.503718 0.164898 0.926236 Se\n0.263621 0.585634 0.119880 Se\n0.763621 0.414366 0.380119 Se\n",
"nsites": 40,
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"elements": [
"K",
"Bi",
"P",
"Se"
],
"chemical_system": "Bi-K-P-Se",
"density": 4.716014276903179,
"density_atomic": 0.03623501018754212,
"volume": 1103.9047537994709,
"volume_molar": 16.619674532533896,
"formula_full": "K4 Bi4 P8 Se24",
"formula_reduced": "KBi(PSe3)2",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 1.66781035,
"spacegroup": 14
},
{
"id": "jvasp-97417",
"created_at": "2022-09-04T14:35:59.152718Z",
"updated_at": "2022-09-04T14:35:59.152744Z",
"structure_string": "Ba12 Sb16 O4\n1.0\n7.066636 -0.007851 0.000000\n-2.079456 12.108545 0.000000\n0.000000 0.000000 12.887271\nBa Sb O\n12 16 4\ndirect\n0.671183 0.479096 0.768359 Ba\n0.752552 0.547086 0.441321 Ba\n0.607606 0.221086 0.551525 Ba\n0.392394 0.778914 0.448475 Ba\n0.107606 0.721087 0.948475 Ba\n0.252552 0.047086 0.058679 Ba\n0.828818 0.020904 0.268360 Ba\n0.747449 0.952915 0.941321 Ba\n0.892394 0.278914 0.051525 Ba\n0.328817 0.520904 0.231640 Ba\n0.247449 0.452915 0.558679 Ba\n0.171182 0.979096 0.731640 Ba\n0.661777 0.939553 0.655581 Sb\n0.535605 0.185064 0.842092 Sb\n0.945560 0.234781 0.766121 Sb\n0.445560 0.734781 0.733878 Sb\n0.086770 0.157393 0.485832 Sb\n0.838223 0.560448 0.155581 Sb\n0.554440 0.265219 0.266121 Sb\n0.464396 0.814937 0.157908 Sb\n0.035604 0.685064 0.657908 Sb\n0.964396 0.314937 0.342092 Sb\n0.161777 0.439552 0.844419 Sb\n0.413230 0.342607 0.985832 Sb\n0.338223 0.060448 0.344419 Sb\n0.913230 0.842608 0.514168 Sb\n0.586770 0.657393 0.014168 Sb\n0.054440 0.765219 0.233878 Sb\n0.588491 0.420534 0.586575 O\n0.911510 0.079466 0.086575 O\n0.088490 0.920534 0.913425 O\n0.411509 0.579466 0.413425 O\n",
"nsites": 32,
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"elements": [
"Ba",
"Sb",
"O"
],
"chemical_system": "Ba-O-Sb",
"density": 5.512607761873187,
"density_atomic": 0.029024664287826858,
"volume": 1102.5105986642202,
"volume_molar": 20.748356295461882,
"formula_full": "Ba12 Sb16 O4",
"formula_reduced": "Ba3Sb4O",
"formula_anonymous": "AB3C4",
"energy_above_hull": 1.01993447625,
"spacegroup": 14
},
{
"id": "jvasp-29653",
"created_at": "2022-09-04T14:38:34.203815Z",
"updated_at": "2022-09-04T14:38:34.203841Z",
"structure_string": "Cu4 P16 Se16 I4\n1.0\n9.513112 -0.127664 -0.000000\n-2.050875 9.290291 0.000000\n-0.000000 0.000000 12.503787\nCu P Se I\n4 16 16 4\ndirect\n0.904991 0.095009 0.500000 Cu\n0.595009 0.404991 0.000000 Cu\n0.404991 0.595009 0.000000 Cu\n0.095008 0.904991 0.500000 Cu\n0.755783 0.540382 0.259888 P\n0.255784 0.040382 0.240113 P\n0.540382 0.755784 0.259888 P\n0.244216 0.459617 0.740113 P\n0.716152 0.353295 0.145840 P\n0.459617 0.244217 0.740113 P\n0.959617 0.744217 0.759888 P\n0.146705 0.783848 0.645840 P\n0.646706 0.283848 0.854160 P\n0.744216 0.959618 0.759888 P\n0.783848 0.146706 0.645840 P\n0.040382 0.255784 0.240113 P\n0.216152 0.853294 0.354160 P\n0.853294 0.216153 0.354160 P\n0.353294 0.716152 0.145840 P\n0.283847 0.646706 0.854160 P\n0.850752 0.446571 0.407281 Se\n0.553429 0.149248 0.592719 Se\n0.350752 0.946571 0.092719 Se\n0.016576 0.016576 0.190972 Se\n0.149248 0.553429 0.592719 Se\n0.946570 0.350752 0.092719 Se\n0.446570 0.850752 0.407281 Se\n0.983423 0.983424 0.809028 Se\n0.516576 0.516576 0.309028 Se\n0.349444 0.849445 0.750000 Se\n0.053429 0.649248 0.907281 Se\n0.649248 0.053430 0.907281 Se\n0.483423 0.483424 0.690972 Se\n0.650555 0.150556 0.250000 Se\n0.849444 0.349445 0.750000 Se\n0.150555 0.650555 0.250000 Se\n0.310623 0.310623 0.015165 I\n0.810623 0.810623 0.484835 I\n0.189377 0.189377 0.515166 I\n0.689377 0.689377 0.984835 I\n",
"nsites": 40,
"nelements": 4,
"elements": [
"Cu",
"P",
"Se",
"I"
],
"chemical_system": "Cu-I-P-Se",
"density": 3.7990281545980915,
"density_atomic": 0.036304043258098155,
"volume": 1101.8056505614538,
"volume_molar": 16.58807179461112,
"formula_full": "Cu4 P16 Se16 I4",
"formula_reduced": "CuP4Se4I",
"formula_anonymous": "ABC4D4",
"energy_above_hull": 1.9925072191666668,
"spacegroup": 64
},
{
"id": "jvasp-96946",
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"updated_at": "2022-09-04T14:36:31.062072Z",
"structure_string": "Ba4 Li8 Ti24 O56\n1.0\n10.093503 0.004226 0.000000\n-3.706096 9.388486 -0.000000\n0.000000 0.000000 11.619882\nBa Li Ti O\n4 8 24 56\ndirect\n0.855088 0.855089 0.379551 Ba\n0.355088 0.355089 0.120449 Ba\n0.644911 0.644912 0.879551 Ba\n0.144911 0.144912 0.620449 Ba\n0.065546 0.444796 0.620732 Li\n0.565546 0.944796 0.879267 Li\n0.944795 0.565547 0.879267 Li\n0.055204 0.434454 0.120732 Li\n0.444795 0.065547 0.620732 Li\n0.934453 0.555205 0.379268 Li\n0.434453 0.055205 0.120732 Li\n0.555204 0.934454 0.379268 Li\n0.493844 0.274920 0.386040 Ti\n0.737536 0.262464 0.000000 Ti\n0.518933 0.740882 0.142946 Ti\n0.742911 0.242912 0.250000 Ti\n0.225080 0.006156 0.886040 Ti\n0.240881 0.018933 0.357054 Ti\n0.762464 0.237537 0.500000 Ti\n0.006156 0.225080 0.886040 Ti\n0.759118 0.981067 0.642946 Ti\n0.274920 0.493844 0.386040 Ti\n0.774920 0.993845 0.113960 Ti\n0.506156 0.725080 0.613960 Ti\n0.237536 0.762464 0.500000 Ti\n0.481067 0.259119 0.857054 Ti\n0.018933 0.240881 0.357054 Ti\n0.242911 0.742912 0.250000 Ti\n0.981066 0.759119 0.642946 Ti\n0.725080 0.506156 0.613960 Ti\n0.262464 0.737537 0.000000 Ti\n0.259119 0.481067 0.857054 Ti\n0.257088 0.757089 0.750000 Ti\n0.740881 0.518934 0.142946 Ti\n0.993844 0.774921 0.113960 Ti\n0.757088 0.257089 0.750000 Ti\n0.869673 0.133737 0.751534 O\n0.121234 0.651677 0.627768 O\n0.369673 0.633737 0.748466 O\n0.859089 0.629746 0.740951 O\n0.145559 0.623905 0.378011 O\n0.136556 0.364750 0.980918 O\n0.096016 0.096016 0.869905 O\n0.403984 0.403985 0.369905 O\n0.866124 0.133876 0.000000 O\n0.354441 0.876096 0.878011 O\n0.876095 0.354441 0.878011 O\n0.126992 0.873008 0.500000 O\n0.097485 0.097485 0.372632 O\n0.363444 0.135250 0.480918 O\n0.854441 0.376096 0.621988 O\n0.870254 0.640911 0.240951 O\n0.402514 0.402515 0.872632 O\n0.133875 0.866125 0.000000 O\n0.366263 0.630328 0.251534 O\n0.902514 0.902515 0.627367 O\n0.370255 0.140911 0.259049 O\n0.130327 0.866264 0.248466 O\n0.878766 0.348324 0.372232 O\n0.636556 0.864751 0.519082 O\n0.378766 0.848324 0.127768 O\n0.373008 0.626992 0.000000 O\n0.635250 0.863445 0.019082 O\n0.376095 0.854441 0.621988 O\n0.864750 0.636557 0.519082 O\n0.348323 0.878767 0.372232 O\n0.597485 0.597486 0.127368 O\n0.633875 0.366125 0.500000 O\n0.151676 0.621234 0.872232 O\n0.629745 0.859090 0.740951 O\n0.364750 0.136556 0.980918 O\n0.633736 0.369673 0.748466 O\n0.645559 0.123905 0.121988 O\n0.596015 0.596016 0.630094 O\n0.129745 0.359090 0.759049 O\n0.903984 0.903985 0.130094 O\n0.135250 0.363444 0.480918 O\n0.133736 0.869673 0.751534 O\n0.866264 0.130328 0.248466 O\n0.630327 0.366264 0.251534 O\n0.366124 0.633876 0.500000 O\n0.140910 0.370255 0.259049 O\n0.640910 0.870255 0.240951 O\n0.863444 0.635251 0.019082 O\n0.873008 0.126992 0.500000 O\n0.123904 0.645559 0.121988 O\n0.626992 0.373008 0.000000 O\n0.651676 0.121234 0.627768 O\n0.621234 0.151677 0.872232 O\n0.359089 0.129746 0.759049 O\n0.848323 0.378767 0.127768 O\n0.623904 0.145559 0.378011 O\n",
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"elements": [
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"O"
],
"chemical_system": "Ba-Li-O-Ti",
"density": 3.995030944866036,
"density_atomic": 0.08353661203528248,
"volume": 1101.3135170138685,
"volume_molar": 7.208983717769752,
"formula_full": "Ba4 Li8 Ti24 O56",
"formula_reduced": "BaLi2Ti6O14",
"formula_anonymous": "AB2C6D14",
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"spacegroup": 64
},
{
"id": "jvasp-99143",
"created_at": "2022-09-04T14:36:18.837899Z",
"updated_at": "2022-09-04T14:36:18.837919Z",
"structure_string": "K12 Sb4 Te12\n1.0\n10.322702 -0.000000 0.000000\n0.000000 10.322702 -0.000000\n-0.000000 0.000000 10.322702\nK Sb Te\n12 4 12\ndirect\n0.576367 0.576367 0.576367 K\n0.923632 0.423632 0.076367 K\n0.076367 0.923632 0.423632 K\n0.423632 0.076367 0.923632 K\n0.327109 0.327109 0.327109 K\n0.172891 0.672891 0.827109 K\n0.827109 0.172891 0.672891 K\n0.672891 0.827109 0.172891 K\n0.817538 0.817538 0.817538 K\n0.682462 0.182462 0.317538 K\n0.317538 0.682462 0.182462 K\n0.182462 0.317538 0.682462 K\n0.966681 0.533319 0.466681 Sb\n0.533319 0.466681 0.966681 Sb\n0.466681 0.966681 0.533319 Sb\n0.033319 0.033319 0.033319 Sb\n0.227401 0.615540 0.501102 Te\n0.501102 0.227401 0.615540 Te\n0.615540 0.501102 0.227401 Te\n0.884459 0.498897 0.727401 Te\n0.001103 0.272599 0.384459 Te\n0.384459 0.001103 0.272599 Te\n-0.001103 0.772599 0.115540 Te\n0.498897 0.727401 0.884459 Te\n0.115540 -0.001103 0.772599 Te\n0.727401 0.884459 0.498897 Te\n0.772599 0.115540 -0.001103 Te\n0.272599 0.384459 0.001103 Te\n",
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],
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"formula_full": "K12 Sb4 Te12",
"formula_reduced": "K3SbTe3",
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{
"id": "jvasp-13998",
"created_at": "2022-09-04T14:36:30.754288Z",
"updated_at": "2022-09-04T14:36:30.754320Z",
"structure_string": "Rb12 As4 Se16\n1.0\n9.648050 -0.000000 0.000000\n0.000000 10.048310 0.000000\n0.000000 0.000000 11.344404\nRb As Se\n12 4 16\ndirect\n0.649028 0.910609 0.250000 Rb\n0.149028 0.589391 0.250000 Rb\n0.850972 0.410609 0.750000 Rb\n0.350972 0.089391 0.750000 Rb\n0.054061 0.807523 0.956969 Rb\n0.554061 0.692477 0.543031 Rb\n0.445939 0.307523 0.043031 Rb\n0.945939 0.192477 0.456969 Rb\n0.945939 0.192477 0.043031 Rb\n0.445939 0.307523 0.456969 Rb\n0.554061 0.692477 0.956969 Rb\n0.054061 0.807523 0.543031 Rb\n0.729040 0.474299 0.250000 As\n0.270960 0.525701 0.750000 As\n0.770960 0.974299 0.750000 As\n0.229040 0.025701 0.250000 As\n0.309083 0.756945 0.750000 Se\n0.809083 0.743055 0.750000 Se\n0.148111 0.469408 0.576099 Se\n0.851889 0.530592 0.076100 Se\n0.351889 0.969408 0.423900 Se\n0.648111 0.030592 0.923900 Se\n0.989261 0.085378 0.750000 Se\n0.489261 0.414622 0.750000 Se\n0.010739 0.914622 0.250000 Se\n0.648111 0.030592 0.576099 Se\n0.148111 0.469408 0.923900 Se\n0.851889 0.530592 0.423900 Se\n0.351889 0.969408 0.076100 Se\n0.690917 0.243055 0.250000 Se\n0.510739 0.585378 0.250000 Se\n0.190917 0.256945 0.250000 Se\n",
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{
"id": "jvasp-21022",
"created_at": "2022-09-04T14:37:45.572364Z",
"updated_at": "2022-09-04T14:37:45.572391Z",
"structure_string": "Rb4 Sb12 Se20\n1.0\n0.000000 8.735551 0.093966\n13.020719 0.000000 0.000000\n0.000000 -7.629945 -9.745382\nRb Sb Se\n4 12 20\ndirect\n0.322328 0.750488 0.700197 Rb\n0.677672 0.250487 0.799802 Rb\n0.677672 0.249513 0.299803 Rb\n0.322328 0.749513 0.200197 Rb\n0.735319 0.899398 0.125545 Sb\n0.264681 0.399398 0.374454 Sb\n0.264681 0.100602 0.874454 Sb\n0.134755 0.437312 0.957165 Sb\n0.865245 0.937312 0.542834 Sb\n0.735319 0.600602 0.625545 Sb\n0.134755 0.062688 0.457165 Sb\n0.181220 0.460290 0.677951 Sb\n0.818780 0.960290 0.822049 Sb\n0.818780 0.539710 0.322049 Sb\n0.181220 0.039710 0.177951 Sb\n0.865244 0.562688 0.042835 Sb\n0.897476 0.127014 0.643732 Se\n0.597003 0.982293 0.283877 Se\n0.402997 0.482293 0.216123 Se\n0.370666 0.357731 0.911901 Se\n0.629334 0.857731 0.588098 Se\n0.629333 0.642269 0.088098 Se\n0.370666 0.142269 0.411901 Se\n0.102524 0.627014 0.856268 Se\n0.897476 0.372986 0.143732 Se\n0.178210 0.309278 0.536399 Se\n0.813600 0.408495 0.600243 Se\n0.186400 0.908495 0.899756 Se\n0.186399 0.591505 0.399756 Se\n0.813600 0.091505 0.100243 Se\n0.821790 0.690722 0.463601 Se\n0.178210 0.190722 0.036399 Se\n0.597003 0.517707 0.783877 Se\n0.821790 0.809278 0.963601 Se\n0.102524 0.872986 0.356268 Se\n0.402997 0.017707 0.716123 Se\n",
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}
]
}