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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_anonymous&page=666",
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"results": [
{
"id": "jvasp-98303",
"created_at": "2022-09-04T14:36:04.924893Z",
"updated_at": "2022-09-04T14:36:04.924924Z",
"structure_string": "Sr2 H32 O20\n1.0\n6.187161 -0.016889 0.193262\n-0.015290 6.194082 0.167158\n0.337617 0.296977 11.087047\nSr H O\n2 32 20\ndirect\n-0.017523 -0.023593 0.496769 Sr\n0.039684 0.025512 0.011867 Sr\n-0.010859 0.413968 0.623839 H\n0.228952 0.333006 0.632494 H\n0.345608 0.682633 0.619171 H\n0.234902 0.811511 0.725383 H\n0.509708 -0.019159 0.633941 H\n0.584600 0.224132 0.628128 H\n0.304739 0.626383 0.104196 H\n0.747137 0.403487 0.104539 H\n0.805272 0.267250 0.223806 H\n0.581024 0.965646 0.153525 H\n0.636524 0.734088 0.102125 H\n0.277254 0.212804 0.227535 H\n0.412246 0.291624 0.106343 H\n0.675591 0.568747 0.619474 H\n0.831130 0.676390 0.713451 H\n0.065896 0.564479 0.155701 H\n0.719911 0.976997 0.777700 H\n0.670127 0.773638 0.878869 H\n0.041358 0.435937 0.354699 H\n0.269414 0.376630 0.407324 H\n0.797230 0.735328 0.283177 H\n0.604217 0.265462 0.405006 H\n0.559720 0.035863 0.353616 H\n0.270182 0.791802 0.286419 H\n0.709818 0.599913 0.402537 H\n0.380467 0.706028 0.405023 H\n0.977610 0.317742 0.795104 H\n0.785549 0.420800 0.884633 H\n0.091018 0.594677 0.877915 H\n0.336855 0.657642 0.888739 H\n0.496090 0.073983 0.885093 H\n0.432112 0.316922 0.889287 H\n0.368438 0.168454 0.883506 O\n0.170840 0.686953 0.147009 O\n0.643194 0.072424 0.637179 O\n0.279640 0.828817 0.636786 O\n0.074170 0.280909 0.642768 O\n0.828235 0.637921 0.629246 O\n0.748624 0.918179 0.860858 O\n0.871735 0.331679 0.146126 O\n0.189642 0.723743 0.873249 O\n0.558698 0.544124 0.914290 O\n0.319015 0.840338 0.364450 O\n0.678000 0.140924 0.363054 O\n0.844006 0.672214 0.361664 O\n0.141907 0.313595 0.366795 O\n0.537524 0.525612 0.050385 O\n0.469709 0.459427 0.594100 O\n0.485804 0.475733 0.458022 O\n0.701566 0.862344 0.142358 O\n0.939469 0.363765 0.878414 O\n0.342791 0.160419 0.150577 O\n",
"nsites": 54,
"nelements": 3,
"elements": [
"Sr",
"H",
"O"
],
"chemical_system": "H-O-Sr",
"density": 2.064928390090464,
"density_atomic": 0.12730397005185198,
"volume": 424.1815866229886,
"volume_molar": 4.730520782303278,
"formula_full": "Sr2 H32 O20",
"formula_reduced": "Sr(H8O5)2",
"formula_anonymous": "AB10C16",
"energy_above_hull": 3.028848196666667,
"spacegroup": 1
},
{
"id": "jvasp-44694",
"created_at": "2022-09-04T14:38:03.118347Z",
"updated_at": "2022-09-04T14:38:03.118365Z",
"structure_string": "Mg1 Fe10 O16\n1.0\n0.000000 4.044082 4.044082\n4.044082 0.000000 4.044082\n8.094157 8.094157 -0.005993\nMg Fe O\n1 10 16\ndirect\n0.123131 0.123131 0.065303 Mg\n0.875513 0.875513 0.936729 Fe\n0.502851 0.008500 0.742899 Fe\n0.008500 0.502851 0.742899 Fe\n0.879485 0.879485 0.430771 Fe\n0.502851 0.502851 0.742899 Fe\n0.117941 0.117941 0.573089 Fe\n0.995753 0.494923 0.257199 Fe\n0.494923 0.494923 0.257199 Fe\n0.500258 0.500258 -0.000386 Fe\n0.494923 0.995753 0.257199 Fe\n0.242489 0.242489 0.640827 O\n0.738643 0.285420 0.868647 O\n0.741251 0.741251 0.638124 O\n0.242489 0.733366 0.640827 O\n0.263744 0.263744 0.854383 O\n0.733366 0.242489 0.640827 O\n0.758030 0.758030 0.354278 O\n0.252951 0.252951 0.370575 O\n0.738542 0.738542 0.142187 O\n0.758030 0.275382 0.354278 O\n0.264893 0.705094 0.132559 O\n0.738643 0.738643 0.868647 O\n0.705094 0.264893 0.132559 O\n0.264893 0.264893 0.132559 O\n0.275382 0.758030 0.354278 O\n0.285420 0.738643 0.868647 O\n",
"nsites": 27,
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"elements": [
"Mg",
"Fe",
"O"
],
"chemical_system": "Fe-Mg-O",
"density": 5.258682793758035,
"density_atomic": 0.10194395774843144,
"volume": 264.8514006747539,
"volume_molar": 5.907305242024174,
"formula_full": "Mg1 Fe10 O16",
"formula_reduced": "Mg(Fe5O8)2",
"formula_anonymous": "AB10C16",
"energy_above_hull": 3.3657848166666664,
"spacegroup": 160
},
{
"id": "jvasp-50664",
"created_at": "2022-09-04T14:37:07.487205Z",
"updated_at": "2022-09-04T14:37:07.487225Z",
"structure_string": "Mg1 Al10 O16\n1.0\n0.000021 4.038487 4.038448\n-4.038444 4.038487 -0.000019\n-3.913087 -7.951624 3.913095\nMg Al O\n1 10 16\ndirect\n0.809783 0.309782 0.429363 Mg\n0.691319 0.191318 0.073976 Al\n0.498021 0.998019 0.494068 Al\n0.749715 0.745482 0.240703 Al\n0.759368 0.259367 0.762047 Al\n0.245484 0.249714 0.240703 Al\n0.243339 0.259367 0.762043 Al\n0.189328 0.689327 0.567977 Al\n0.759368 0.743339 0.762043 Al\n0.310120 0.810119 0.930322 Al\n0.245483 0.745481 0.240699 Al\n0.622710 0.122710 0.868103 O\n0.378143 0.382103 0.142378 O\n0.882109 0.382107 0.142381 O\n0.122608 0.622607 0.367839 O\n0.882105 0.878142 0.142378 O\n0.388528 0.350779 0.627818 O\n0.882449 0.382448 0.647325 O\n0.120480 0.620480 0.859162 O\n0.375763 0.875761 0.127309 O\n0.120481 0.118241 0.859167 O\n0.618241 0.620481 0.859166 O\n0.162508 0.101635 0.365797 O\n0.850781 0.888527 0.627818 O\n0.388525 0.888524 0.627818 O\n0.601636 0.662507 0.365797 O\n0.601636 0.101635 0.365797 O\n",
"nsites": 27,
"nelements": 3,
"elements": [
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"Al",
"O"
],
"chemical_system": "Al-Mg-O",
"density": 3.549938520745597,
"density_atomic": 0.10492653668018223,
"volume": 257.3228932762399,
"volume_molar": 5.739387718814719,
"formula_full": "Mg1 Al10 O16",
"formula_reduced": "MgAl10O16",
"formula_anonymous": "AB10C16",
"energy_above_hull": 2.4704767796296294,
"spacegroup": 160
},
{
"id": "jvasp-88239",
"created_at": "2022-09-04T14:36:16.718149Z",
"updated_at": "2022-09-04T14:36:16.718175Z",
"structure_string": "Sr2 H32 O20\n1.0\n6.304823 0.003159 0.037436\n0.003159 6.304823 0.037436\n0.065888 0.065888 11.027715\nSr H O\n2 32 20\ndirect\n0.000815 -0.001361 0.251267 Sr\n-0.001361 0.000815 0.751268 Sr\n0.282500 0.390475 0.645515 H\n0.140144 0.313688 0.533060 H\n0.393010 0.724876 0.649167 H\n0.454266 0.970005 0.631834 H\n0.614368 0.277728 0.645910 H\n0.689052 0.137485 0.531670 H\n0.137485 0.689051 0.031670 H\n0.970005 0.454265 0.131834 H\n0.724876 0.393010 0.149166 H\n0.549107 0.973803 0.131837 H\n0.611493 0.729019 0.149520 H\n0.390475 0.282500 0.145515 H\n0.313688 0.140144 0.033060 H\n0.973803 0.549107 0.631838 H\n0.729019 0.611493 0.649521 H\n0.277727 0.614367 0.145910 H\n0.608923 0.717022 0.857001 H\n0.685712 0.859384 0.969455 H\n0.025725 0.450301 0.370679 H\n0.270517 0.387913 0.353010 H\n0.717021 0.608923 0.357000 H\n0.606484 0.274540 0.353363 H\n0.545207 0.029419 0.370723 H\n0.385117 0.721698 0.356650 H\n0.859384 0.685711 0.469455 H\n0.310410 0.861942 0.470882 H\n0.721698 0.385117 0.856650 H\n0.861942 0.310410 0.970882 H\n0.029419 0.545207 0.870723 H\n0.274540 0.606484 0.853363 H\n0.450301 0.025725 0.870679 H\n0.387913 0.270517 0.853011 H\n0.326775 0.125936 0.876724 O\n0.134400 0.676054 0.122557 O\n0.676054 0.134400 0.622557 O\n0.331575 0.869432 0.626389 O\n0.138897 0.329212 0.623561 O\n0.873591 0.672633 0.625795 O\n0.670186 0.860627 0.878955 O\n0.869432 0.331574 0.126388 O\n0.129988 0.667903 0.876168 O\n0.497705 0.495146 0.819110 O\n0.323418 0.865023 0.379994 O\n0.667903 0.129988 0.376168 O\n0.860627 0.670186 0.378955 O\n0.125936 0.326775 0.376724 O\n0.501725 0.504359 0.183425 O\n0.504359 0.501725 0.683425 O\n0.495146 0.497705 0.319110 O\n0.672633 0.873591 0.125794 O\n0.865023 0.323419 0.879995 O\n0.329212 0.138896 0.123560 O\n",
"nsites": 54,
"nelements": 3,
"elements": [
"Sr",
"H",
"O"
],
"chemical_system": "H-O-Sr",
"density": 1.9982801999214794,
"density_atomic": 0.12319507250073118,
"volume": 438.3292196989413,
"volume_molar": 4.8882967782370175,
"formula_full": "Sr2 H32 O20",
"formula_reduced": "Sr(H8O5)2",
"formula_anonymous": "AB10C16",
"energy_above_hull": 3.0282796781481487,
"spacegroup": 15
},
{
"id": "jvasp-98281",
"created_at": "2022-09-04T14:36:12.132389Z",
"updated_at": "2022-09-04T14:36:12.132408Z",
"structure_string": "Sr2 Cd22\n1.0\n7.125361 -0.000000 3.223396\n3.562680 8.555003 1.611698\n0.036566 -0.000000 9.406221\nSr Cd\n2 22\ndirect\n0.375000 0.250000 0.750000 Sr\n0.625000 0.750000 0.250000 Sr\n0.449238 0.831428 0.927996 Cd\n0.791339 0.927996 0.831428 Cd\n0.280666 0.927996 0.668572 Cd\n0.550762 0.168572 0.072004 Cd\n0.449238 0.427996 0.331428 Cd\n0.719334 0.072004 0.331428 Cd\n0.791338 0.331428 0.427996 Cd\n0.280666 0.168572 0.427996 Cd\n0.500000 0.500000 0.000000 Cd\n0.550763 0.572004 0.668572 Cd\n0.875000 0.250000 0.750000 Cd\n0.877234 0.331428 0.072004 Cd\n0.125000 0.750000 0.250000 Cd\n0.122767 0.668572 0.927996 Cd\n0.877234 0.572004 0.831428 Cd\n0.208662 0.668572 0.572004 Cd\n0.122766 0.427996 0.168572 Cd\n0.208662 0.072004 0.168572 Cd\n0.000000 0.000000 0.000000 Cd\n0.719335 0.831428 0.572004 Cd\n0.000000 0.000000 0.500000 Cd\n0.000000 0.500000 0.500000 Cd\n",
"nsites": 24,
"nelements": 2,
"elements": [
"Sr",
"Cd"
],
"chemical_system": "Cd-Sr",
"density": 7.683083187000678,
"density_atomic": 0.041930829214318045,
"volume": 572.3712230285387,
"volume_molar": 14.362083633546723,
"formula_full": "Sr2 Cd22",
"formula_reduced": "SrCd11",
"formula_anonymous": "AB11",
"energy_above_hull": 0.0,
"spacegroup": 141
},
{
"id": "jvasp-96916",
"created_at": "2022-09-04T14:36:49.325642Z",
"updated_at": "2022-09-04T14:36:49.325656Z",
"structure_string": "Ca3 Hg33\n1.0\n9.935092 -0.000000 0.000000\n0.000000 9.935092 0.000000\n0.000000 0.000000 9.935092\nCa Hg\n3 33\ndirect\n0.500000 0.000000 0.000000 Ca\n0.000000 0.000000 0.500000 Ca\n0.000000 0.500000 0.000000 Ca\n0.657380 0.000000 0.657380 Hg\n0.342619 0.657380 0.000000 Hg\n0.000000 0.657380 0.657380 Hg\n0.500000 0.263515 0.263515 Hg\n0.500000 0.736485 0.263515 Hg\n0.500000 0.263515 0.736485 Hg\n0.736485 0.263515 0.500000 Hg\n0.342619 0.000000 0.657380 Hg\n0.736485 0.500000 0.263515 Hg\n0.263515 0.500000 0.263515 Hg\n0.736485 0.736485 0.500000 Hg\n0.263515 0.500000 0.736485 Hg\n0.736485 0.500000 0.736485 Hg\n0.263515 0.263515 0.500000 Hg\n0.657380 0.657380 0.000000 Hg\n0.657380 0.000000 0.342619 Hg\n0.263515 0.736485 0.500000 Hg\n0.500000 0.500000 0.500000 Hg\n0.152416 0.152416 0.152416 Hg\n0.152416 0.847584 0.152416 Hg\n0.152416 0.152416 0.847584 Hg\n0.847584 0.152416 0.152416 Hg\n0.847584 0.847584 0.152416 Hg\n0.342619 0.000000 0.342619 Hg\n0.152416 0.847584 0.847584 Hg\n0.847584 0.847584 0.847584 Hg\n0.000000 0.342619 0.342619 Hg\n0.000000 0.657380 0.342619 Hg\n0.000000 0.342619 0.657380 Hg\n0.342619 0.342619 0.000000 Hg\n0.657380 0.342619 0.000000 Hg\n0.847584 0.152416 0.847584 Hg\n0.500000 0.736485 0.736485 Hg\n",
"nsites": 36,
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"elements": [
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"Hg"
],
"chemical_system": "Ca-Hg",
"density": 11.412327903289455,
"density_atomic": 0.03671020599775403,
"volume": 980.65371799337,
"volume_molar": 16.404540907148387,
"formula_full": "Ca3 Hg33",
"formula_reduced": "CaHg11",
"formula_anonymous": "AB11",
"energy_above_hull": 0.0,
"spacegroup": 221
},
{
"id": "jvasp-63731",
"created_at": "2022-09-04T14:36:00.902711Z",
"updated_at": "2022-09-04T14:36:00.902739Z",
"structure_string": "Li1 B11\n1.0\n-2.727614 2.727614 2.787296\n2.727614 -2.727614 2.787296\n2.727614 2.727614 -2.787296\nLi B\n1 11\ndirect\n0.750000 0.250000 0.499999 Li\n0.320250 0.320250 0.000000 B\n0.679751 0.679751 0.000000 B\n0.703443 0.703443 0.406884 B\n0.296557 0.296557 0.593115 B\n0.296559 0.703443 0.000000 B\n0.703443 0.296559 0.000000 B\n0.161243 0.874862 0.713619 B\n0.161243 0.447622 0.286379 B\n0.125138 0.838757 0.286379 B\n0.552378 0.838757 0.713619 B\n0.000000 0.000000 0.000000 B\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Li",
"B"
],
"chemical_system": "B-Li",
"density": 2.5196186913141774,
"density_atomic": 0.14466795467287602,
"volume": 82.94857024234888,
"volume_molar": 4.162733048668102,
"formula_full": "Li1 B11",
"formula_reduced": "LiB11",
"formula_anonymous": "AB11",
"energy_above_hull": 5.137472368055556,
"spacegroup": 119
},
{
"id": "jvasp-112071",
"created_at": "2022-09-04T14:38:43.697758Z",
"updated_at": "2022-09-04T14:38:43.697787Z",
"structure_string": "H11 C13 N1\n1.0\n3.666180 0.090213 -1.242235\n-2.879892 5.437503 -2.312039\n0.108989 -0.542644 10.833502\nH C N\n11 13 1\ndirect\n0.511297 0.852667 0.325934 H\n0.537571 0.897970 0.562852 H\n0.801449 0.027523 0.020428 H\n0.573574 0.159948 0.201964 H\n0.618008 0.213001 0.444620 H\n0.349206 0.189163 0.584917 H\n0.628190 0.358446 0.060051 H\n0.323935 0.728295 0.087551 H\n0.861991 0.846747 0.184113 H\n0.803532 0.986224 0.787372 H\n0.357950 0.232512 0.819862 H\n0.577653 0.634065 0.938762 C\n0.551906 0.736254 0.486099 C\n0.702544 0.818227 0.791873 C\n0.532065 0.709718 0.349876 C\n0.574692 0.557653 0.523547 C\n0.581415 0.583613 0.665943 C\n0.557350 0.319734 0.280035 C\n0.459023 0.400343 0.814942 C\n0.580363 0.349902 0.416801 C\n0.459117 0.376020 0.681037 C\n0.699886 0.842131 0.924408 C\n0.572409 0.678831 0.085566 C\n0.531570 0.499481 0.243085 C\n0.501820 0.465699 0.104085 N\n",
"nsites": 25,
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"elements": [
"H",
"C",
"N"
],
"chemical_system": "C-H-N",
"density": 1.4132078755895123,
"density_atomic": 0.1173976342417517,
"volume": 212.95148033833985,
"volume_molar": 5.12969515859142,
"formula_full": "H11 C13 N1",
"formula_reduced": "H11C13N",
"formula_anonymous": "AB11C13",
"energy_above_hull": 5.71794853,
"spacegroup": 1
},
{
"id": "jvasp-112005",
"created_at": "2022-09-04T14:38:41.637272Z",
"updated_at": "2022-09-04T14:38:41.637299Z",
"structure_string": "H22 C26 N2\n1.0\n4.868453 -0.119245 1.410238\n2.006207 7.694148 2.216424\n-0.030276 -0.117159 11.596943\nH C N\n22 26 2\ndirect\n0.237018 0.637580 0.559427 H\n0.464704 0.792477 0.052233 H\n0.001595 0.469167 0.979724 H\n0.772346 0.624892 0.386596 H\n0.022104 0.104196 0.393237 H\n0.560801 0.411191 0.355948 H\n0.292851 0.316256 0.276412 H\n0.590649 0.333617 0.053452 H\n0.843515 0.173587 0.125316 H\n0.195438 0.693382 0.005377 H\n0.647319 0.027344 0.062243 H\n0.829829 0.870475 0.380122 H\n0.559860 0.093115 0.477222 H\n0.400476 0.213656 0.891241 H\n0.606891 0.714496 0.888960 H\n0.418243 0.479286 0.874766 H\n0.191370 -0.002490 0.862943 H\n0.886289 0.920657 0.778914 H\n0.182895 0.941072 0.554537 H\n0.435417 0.780652 0.625976 H\n0.775655 0.306599 0.505874 H\n0.061225 0.398910 0.549940 H\n0.825705 0.592556 0.296206 C\n0.011162 0.902343 0.310246 C\n0.705819 0.469715 0.279199 C\n0.345831 0.087265 0.228555 C\n0.008209 0.675916 0.199370 C\n0.357894 0.862661 0.125976 C\n0.126327 0.812608 0.212795 C\n0.465979 0.996388 0.132148 C\n0.066341 0.628053 0.085038 C\n0.953569 0.502494 0.069530 C\n0.118209 0.035220 0.318068 C\n0.770327 0.421162 0.165984 C\n0.663170 0.284113 0.140627 C\n0.439443 0.188451 0.799486 C\n0.954587 0.468311 0.624320 C\n0.651435 0.237516 0.585165 C\n0.058905 0.603892 0.630289 C\n0.724805 0.416868 0.711772 C\n0.362139 0.027374 0.667818 C\n0.608014 0.278527 0.700437 C\n0.937102 0.694573 0.726948 C\n0.318911 0.065156 0.783432 C\n0.603113 0.509574 0.807211 C\n0.706386 0.643892 0.814860 C\n0.254814 0.891061 0.641639 C\n0.529522 0.116770 0.568976 C\n0.038186 0.827418 0.739655 N\n0.446517 0.221629 0.239455 N\n",
"nsites": 50,
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"elements": [
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],
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"volume_molar": 5.280801001148861,
"formula_full": "H22 C26 N2",
"formula_reduced": "H11C13N",
"formula_anonymous": "AB11C13",
"energy_above_hull": 5.71794693,
"spacegroup": 1
},
{
"id": "jvasp-53070",
"created_at": "2022-09-04T14:37:32.374111Z",
"updated_at": "2022-09-04T14:37:32.374135Z",
"structure_string": "Ga11 N1 O15\n1.0\n5.863750 -0.001731 0.013416\n0.021676 5.962119 0.001835\n0.249609 0.022195 8.266133\nGa N O\n11 1 15\ndirect\n0.999648 0.256040 0.130259 Ga\n0.500213 0.237882 0.364119 Ga\n0.255633 0.758159 0.249950 Ga\n0.521656 0.496430 0.985391 Ga\n0.251387 0.248395 0.750257 Ga\n0.021554 0.745126 0.867211 Ga\n0.976716 0.007729 0.515388 Ga\n0.743755 0.757296 0.250774 Ga\n0.476799 0.751324 0.633789 Ga\n0.977100 0.494305 0.514346 Ga\n0.524495 0.008772 0.995072 Ga\n0.500141 0.976122 0.234717 N\n0.484803 0.490529 0.755416 O\n0.749582 0.744583 0.000945 O\n0.271238 0.739064 0.007636 O\n0.015966 0.488526 0.741821 O\n0.499787 0.512747 0.240780 O\n0.741459 0.256732 0.008162 O\n0.754420 0.750882 0.499236 O\n0.764945 0.251920 0.486054 O\n0.484570 0.006224 0.762900 O\n0.017693 0.005769 0.743589 O\n0.000013 0.985744 0.259412 O\n0.220695 0.749245 0.492619 O\n0.998932 0.526563 0.260691 O\n0.268303 0.254198 0.995284 O\n0.228506 0.249689 0.504190 O\n",
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"nelements": 3,
"elements": [
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],
"chemical_system": "Ga-N-O",
"density": 5.866854045964923,
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"formula_full": "Ga11 N1 O15",
"formula_reduced": "Ga11NO15",
"formula_anonymous": "AB11C15",
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"spacegroup": 1
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{
"id": "jvasp-53587",
"created_at": "2022-09-04T14:37:06.308202Z",
"updated_at": "2022-09-04T14:37:06.308234Z",
"structure_string": "Al11 N1 O15\n1.0\n5.627659 -0.000613 0.006107\n0.023455 5.694890 0.000406\n0.164594 0.021030 7.939046\nAl N O\n11 1 15\ndirect\n0.015094 0.996395 0.993124 Al\n0.982767 0.257041 0.637612 Al\n0.255653 0.006697 0.374544 Al\n0.516961 0.745222 0.111467 Al\n0.250382 0.498924 0.875637 Al\n0.983703 0.744371 0.637803 Al\n0.743121 0.006796 0.375394 Al\n0.483755 0.001865 0.756291 Al\n0.502593 0.492574 0.493755 Al\n0.998415 0.502489 0.254443 Al\n0.518530 0.258957 0.121631 Al\n0.498417 0.230184 0.364058 N\n0.018617 0.743653 0.865373 O\n0.745655 0.995101 0.127138 O\n0.224973 0.997469 0.615405 O\n0.499519 0.764858 0.367054 O\n0.480445 0.745548 0.882244 O\n0.770720 0.502735 0.609125 O\n0.758629 0.999478 0.622579 O\n0.265314 0.503469 0.119337 O\n0.480918 0.252705 0.888121 O\n0.020172 0.252097 0.865851 O\n-0.000152 0.231425 0.382802 O\n0.266942 0.990848 0.134240 O\n0.000590 0.772915 0.383621 O\n0.736977 0.505746 0.136367 O\n0.231292 0.500444 0.630005 O\n",
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"elements": [
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],
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"density_atomic": 0.10611871560226413,
"volume": 254.4320278168155,
"volume_molar": 5.674909205055919,
"formula_full": "Al11 N1 O15",
"formula_reduced": "Al11NO15",
"formula_anonymous": "AB11C15",
"energy_above_hull": 2.726301724074074,
"spacegroup": 1
},
{
"id": "jvasp-40679",
"created_at": "2022-09-04T14:37:53.896602Z",
"updated_at": "2022-09-04T14:37:53.896612Z",
"structure_string": "Mn11 Zn1 O16\n1.0\n-2.927488 2.927488 4.140494\n2.927488 -2.927488 4.140494\n5.952442 5.952442 0.000000\nMn Zn O\n11 1 16\ndirect\n0.500003 -0.000014 -0.006463 Mn\n-0.000000 0.250000 0.875000 Mn\n0.749985 0.750003 0.756463 Mn\n-0.000005 0.496756 0.503536 Mn\n0.500000 0.250000 0.627411 Mn\n0.250013 0.749996 0.756463 Mn\n0.000004 0.003244 0.503536 Mn\n0.246755 0.249996 0.246464 Mn\n0.753244 0.250003 0.246464 Mn\n0.499996 0.500013 -0.006463 Mn\n-0.000001 0.750000 0.122589 Mn\n0.499999 0.749999 0.375000 Zn\n0.239921 0.249988 0.502127 O\n0.499991 0.991104 0.756782 O\n0.741103 0.749991 0.993217 O\n0.500008 0.508895 0.756782 O\n0.230042 0.749986 0.519525 O\n-0.000000 0.515449 0.759420 O\n0.769956 0.750012 0.519525 O\n0.000012 0.010079 0.247872 O\n0.760079 0.250011 0.502127 O\n0.499986 0.480043 0.230475 O\n0.500013 0.019956 0.230475 O\n0.265448 0.250000 -0.009420 O\n-0.000001 0.984551 0.759420 O\n0.734551 0.249999 -0.009420 O\n-0.000012 0.489921 0.247872 O\n0.258895 0.750008 0.993217 O\n",
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"elements": [
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],
"chemical_system": "Mn-O-Zn",
"density": 5.32629614407048,
"density_atomic": 0.09701872981114032,
"volume": 288.60406701371653,
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"formula_full": "Mn11 Zn1 O16",
"formula_reduced": "Mn11ZnO16",
"formula_anonymous": "AB11C16",
"energy_above_hull": 3.7757230733990137,
"spacegroup": 115
}
]
}