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=structure_string&page=172",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=structure_string&page=170",
"results": [
{
"id": "jvasp-25249",
"created_at": "2022-09-04T14:38:29.013952Z",
"updated_at": "2022-09-04T14:38:29.013976Z",
"structure_string": "B50\n1.0\n5.068500 0.000000 0.000000\n-0.000000 8.635116 0.000000\n-0.000000 -0.000000 8.635116\nB\n50\ndirect\n0.367228 0.880087 0.380087 B\n0.834439 0.495865 0.995865 B\n0.657428 0.522670 0.168320 B\n0.132772 0.619914 0.380087 B\n0.845840 0.332157 0.421653 B\n0.157428 0.477331 0.668320 B\n0.342572 0.477331 0.831680 B\n0.157428 0.022669 0.831680 B\n0.657428 0.668320 0.022669 B\n0.845840 0.167844 0.078347 B\n0.157428 0.168320 0.977331 B\n0.845840 0.578347 0.667844 B\n0.654160 0.332157 0.078347 B\n0.632772 0.380087 0.880087 B\n0.345840 0.667844 0.921653 B\n0.157428 0.331680 0.522670 B\n0.657428 0.977331 0.331680 B\n0.654160 0.921653 0.667844 B\n0.250000 0.250000 0.750000 B\n0.845840 0.921653 0.832157 B\n0.165561 0.504136 0.004135 B\n0.632772 0.119914 0.619914 B\n0.867228 0.380087 0.619914 B\n0.842572 0.668320 0.477331 B\n0.334439 0.995865 0.004135 B\n0.665561 0.495865 0.504136 B\n0.154160 0.078347 0.167844 B\n0.342572 0.331680 0.977331 B\n0.342572 0.022669 0.668320 B\n0.842572 0.977331 0.168320 B\n0.834439 0.004135 0.504136 B\n0.842572 0.831680 0.022669 B\n0.657428 0.831680 0.477331 B\n0.867228 0.119914 0.880087 B\n0.750000 0.750000 0.250000 B\n0.345840 0.832157 0.578347 B\n0.154160 0.832157 0.921653 B\n0.345840 0.421653 0.167844 B\n0.367228 0.619914 0.119914 B\n0.132772 0.880087 0.119914 B\n0.154160 0.667844 0.578347 B\n0.654160 0.167844 0.421653 B\n0.665561 0.004135 0.995865 B\n0.654160 0.578347 0.832157 B\n0.345840 0.078347 0.332157 B\n0.165561 0.995865 0.495865 B\n0.154160 0.421653 0.332157 B\n0.334439 0.504136 0.495865 B\n0.342572 0.168320 0.522670 B\n0.842572 0.522670 0.331680 B\n",
"nsites": 50,
"nelements": 1,
"elements": [
"B"
],
"chemical_system": "B",
"density": 2.3750303635306627,
"density_atomic": 0.13229828104151653,
"volume": 377.9338598081218,
"volume_molar": 4.551941803469232,
"formula_full": "B50",
"formula_reduced": "B",
"formula_anonymous": "A",
"energy_above_hull": 0.2193725833333335,
"spacegroup": 134
},
{
"id": "jvasp-33315",
"created_at": "2022-09-04T14:37:06.369211Z",
"updated_at": "2022-09-04T14:37:06.369238Z",
"structure_string": "B5 H9\n1.0\n-3.509441 3.509441 2.590914\n3.509441 -3.509441 2.590914\n3.509441 3.509441 -2.590914\nB H\n5 9\ndirect\n0.234120 0.234120 0.000000 B\n0.198493 0.017804 0.180689 B\n0.837115 0.017804 0.819311 B\n0.017804 0.198493 0.180689 B\n0.017804 0.837115 0.819311 B\n0.463630 0.463630 0.000000 H\n0.396276 0.047682 0.348593 H\n0.699088 0.047682 0.651406 H\n0.047682 0.396276 0.348593 H\n0.047682 0.699088 0.651406 H\n0.981884 0.706765 0.000000 H\n0.706765 0.981884 0.000000 H\n0.706766 0.706766 0.724881 H\n0.981884 0.981884 0.275119 H\n",
"nsites": 14,
"nelements": 2,
"elements": [
"B",
"H"
],
"chemical_system": "B-H",
"density": 0.8212429474556479,
"density_atomic": 0.10968295832242175,
"volume": 127.64061267244351,
"volume_molar": 5.490498115757818,
"formula_full": "B5 H9",
"formula_reduced": "B5H9",
"formula_anonymous": "A5B9",
"energy_above_hull": 4.017581636904762,
"spacegroup": 107
},
{
"id": "jvasp-86980",
"created_at": "2022-09-04T14:36:11.334997Z",
"updated_at": "2022-09-04T14:36:11.335031Z",
"structure_string": "B5 Mo2\n1.0\n3.025410 0.008103 6.774613\n1.450482 2.655046 6.774613\n0.013618 0.008103 7.419454\nB Mo\n5 2\ndirect\n0.500000 0.500000 0.499999 B\n0.815376 0.815374 0.815374 B\n0.331314 0.331313 0.331313 B\n0.668687 0.668686 0.668685 B\n0.184625 0.184625 0.184625 B\n0.924124 0.924122 0.924122 Mo\n0.075877 0.075877 0.075877 Mo\n",
"nsites": 7,
"nelements": 2,
"elements": [
"B",
"Mo"
],
"chemical_system": "B-Mo",
"density": 6.900759558648671,
"density_atomic": 0.11828386280611289,
"volume": 59.17967027737482,
"volume_molar": 5.091261493439135,
"formula_full": "B5 Mo2",
"formula_reduced": "B5Mo2",
"formula_anonymous": "A2B5",
"energy_above_hull": 5.619647816666666,
"spacegroup": 166
},
{
"id": "jvasp-62885",
"created_at": "2022-09-04T14:35:47.026230Z",
"updated_at": "2022-09-04T14:35:47.026258Z",
"structure_string": "B5 Mo2\n1.0\n7.257035 -1.540114 0.007946\n7.257035 1.540114 0.007946\n6.927288 0.000000 2.655042\nB Mo\n5 2\ndirect\n0.668684 0.668684 0.668686 B\n0.331315 0.331315 0.331316 B\n0.815370 0.815370 0.815372 B\n0.184629 0.184629 0.184630 B\n0.499999 0.499999 0.500001 B\n0.924140 0.924140 0.924143 Mo\n0.075858 0.075858 0.075859 Mo\n",
"nsites": 7,
"nelements": 2,
"elements": [
"B",
"Mo"
],
"chemical_system": "B-Mo",
"density": 6.900783957000856,
"density_atomic": 0.1182842810109957,
"volume": 59.17946104224348,
"volume_molar": 5.091243492818951,
"formula_full": "B5 Mo2",
"formula_reduced": "B5Mo2",
"formula_anonymous": "A2B5",
"energy_above_hull": 5.619640673809524,
"spacegroup": 166
},
{
"id": "jvasp-87027",
"created_at": "2022-09-04T14:35:52.205112Z",
"updated_at": "2022-09-04T14:35:52.205140Z",
"structure_string": "B5 W2\n1.0\n3.032009 0.004752 6.774531\n1.450666 2.662456 6.774531\n0.007986 0.004752 7.422080\nB W\n5 2\ndirect\n0.500002 0.500000 0.499998 B\n0.814749 0.814747 0.814744 B\n0.330888 0.330887 0.330885 B\n0.669116 0.669114 0.669111 B\n0.185254 0.185253 0.185253 B\n0.922973 0.922970 0.922967 W\n0.077030 0.077030 0.077030 W\n",
"nsites": 7,
"nelements": 2,
"elements": [
"B",
"W"
],
"chemical_system": "B-W",
"density": 11.73642806298264,
"density_atomic": 0.11731275632215583,
"volume": 59.66955529351902,
"volume_molar": 5.133406586631066,
"formula_full": "B5 W2",
"formula_reduced": "B5W2",
"formula_anonymous": "A2B5",
"energy_above_hull": 6.267884702380953,
"spacegroup": 166
},
{
"id": "jvasp-29905",
"created_at": "2022-09-04T14:37:35.265911Z",
"updated_at": "2022-09-04T14:37:35.265927Z",
"structure_string": "B6 C20 N6\n1.0\n5.010760 0.000000 0.000000\n0.000000 6.675301 -0.000000\n0.000000 -0.000000 8.664307\nB C N\n6 20 6\ndirect\n0.500000 0.250000 0.343600 B\n0.500000 0.750000 0.656400 B\n0.500000 0.750000 0.995625 B\n0.000000 0.250000 0.507364 B\n0.500000 0.250000 0.004375 B\n0.000000 0.750000 0.492637 B\n0.759077 0.250000 0.088908 C\n0.000000 0.750000 0.163210 C\n0.759024 0.250000 0.252698 C\n0.500000 0.250000 0.835991 C\n0.240976 0.750000 0.747303 C\n0.000000 0.750000 0.666482 C\n0.240923 0.250000 0.088908 C\n0.500000 0.750000 0.164010 C\n0.254815 0.750000 0.404676 C\n0.254815 0.250000 0.595324 C\n0.745185 0.250000 0.595324 C\n0.240923 0.750000 0.911093 C\n0.000000 0.250000 0.836790 C\n0.000000 0.250000 0.333518 C\n0.240976 0.250000 0.252698 C\n0.000000 0.750000 0.996399 C\n0.759024 0.750000 0.747303 C\n0.759077 0.750000 0.911093 C\n0.000000 0.250000 0.003601 C\n0.745185 0.750000 0.404676 C\n0.748626 0.750000 0.245850 N\n0.500000 0.750000 0.481613 N\n0.500000 0.250000 0.518388 N\n0.251374 0.250000 0.754150 N\n0.251374 0.750000 0.245850 N\n0.748626 0.250000 0.754150 N\n",
"nsites": 32,
"nelements": 3,
"elements": [
"B",
"C",
"N"
],
"chemical_system": "B-C-N",
"density": 2.2295878365577053,
"density_atomic": 0.11041846128306408,
"volume": 289.80661049030704,
"volume_molar": 5.453925629847255,
"formula_full": "B6 C20 N6",
"formula_reduced": "B3C10N3",
"formula_anonymous": "A3B3C10",
"energy_above_hull": 6.96230734375,
"spacegroup": 51
},
{
"id": "jvasp-33312",
"created_at": "2022-09-04T14:38:35.381871Z",
"updated_at": "2022-09-04T14:38:35.381905Z",
"structure_string": "B6 H14 C2 O2\n1.0\n7.782414 -0.065746 1.959358\n-1.109224 5.305745 -1.221220\n-0.013989 -0.023699 5.583632\nB H C O\n6 14 2 2\ndirect\n0.638776 0.823674 0.735081 B\n0.769884 0.577350 0.610990 B\n0.762134 0.773141 0.409051 B\n0.355554 0.163989 0.259415 B\n0.224469 0.410331 0.383524 B\n0.232186 0.214509 0.585447 B\n0.326623 0.304206 0.734170 H\n0.130361 0.017306 0.612680 H\n0.127262 0.369071 0.603837 H\n0.313977 0.619734 0.409421 H\n0.116567 0.364926 0.253755 H\n0.452746 0.079395 0.338769 H\n0.444439 0.301704 0.113852 H\n0.863943 0.970355 0.381790 H\n0.867086 0.618622 0.390676 H\n0.680389 0.367936 0.585121 H\n0.877793 0.622783 0.740750 H\n0.541571 0.908240 0.655722 H\n0.549904 0.685946 0.880636 H\n0.667689 0.683415 0.260342 H\n0.748146 0.044657 0.885102 C\n0.246175 0.943022 0.109386 C\n0.162113 0.779465 0.998832 O\n0.832210 0.208223 0.995650 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"B",
"H",
"C",
"O"
],
"chemical_system": "B-C-H-O",
"density": 0.9741371788378188,
"density_atomic": 0.1042934388501453,
"volume": 230.11994104906785,
"volume_molar": 5.774227819501619,
"formula_full": "B6 H14 C2 O2",
"formula_reduced": "B3H7CO",
"formula_anonymous": "ABC3D7",
"energy_above_hull": 4.043854270833334,
"spacegroup": 2
},
{
"id": "jvasp-90839",
"created_at": "2022-09-04T14:35:47.976455Z",
"updated_at": "2022-09-04T14:35:47.976473Z",
"structure_string": "B6 Mo2\n1.0\n2.607675 1.505541 3.149563\n-2.607675 1.505541 3.149563\n-0.000000 -3.011083 3.149563\nB Mo\n6 2\ndirect\n0.665123 0.334876 -0.000000 B\n0.334875 0.000000 0.665123 B\n0.000000 0.665123 0.334875 B\n0.665123 0.000000 0.334875 B\n0.000000 0.334875 0.665123 B\n0.334876 0.665123 -0.000000 B\n0.835005 0.835005 0.835004 Mo\n0.164994 0.164994 0.164994 Mo\n",
"nsites": 8,
"nelements": 2,
"elements": [
"B",
"Mo"
],
"chemical_system": "B-Mo",
"density": 5.746522173505321,
"density_atomic": 0.10783066663946284,
"volume": 74.19039730829445,
"volume_molar": 5.584812695385929,
"formula_full": "B6 Mo2",
"formula_reduced": "B3Mo",
"formula_anonymous": "AB3",
"energy_above_hull": 4.7701609125,
"spacegroup": 166
},
{
"id": "jvasp-63878",
"created_at": "2022-09-04T14:36:19.439829Z",
"updated_at": "2022-09-04T14:36:19.439846Z",
"structure_string": "B6 O9\n1.0\n2.181769 -3.778935 0.000000\n2.181769 3.778935 -0.000000\n-0.000000 0.000000 8.350403\nB O\n6 9\ndirect\n0.233588 0.395621 0.979038 B\n0.604379 0.837967 0.312371 B\n0.162033 0.766413 0.645705 B\n0.837923 0.604281 0.095911 B\n0.395719 0.233641 0.429244 B\n0.766360 0.162077 0.762578 B\n0.550365 0.401551 -0.000781 O\n0.598449 0.148813 0.332552 O\n0.851187 0.449635 0.665884 O\n0.148754 0.598323 0.075742 O\n0.401678 0.550432 0.409075 O\n0.449568 0.851247 0.742408 O\n-0.000009 0.156073 0.870790 O\n0.843928 0.843919 0.204124 O\n0.156081 0.000009 0.537457 O\n",
"nsites": 15,
"nelements": 2,
"elements": [
"B",
"O"
],
"chemical_system": "B-O",
"density": 2.518778624190096,
"density_atomic": 0.10893705722903546,
"volume": 137.69419132061873,
"volume_molar": 5.528092013114241,
"formula_full": "B6 O9",
"formula_reduced": "B2O3",
"formula_anonymous": "A2B3",
"energy_above_hull": 2.940193133333334,
"spacegroup": 152
},
{
"id": "jvasp-63235",
"created_at": "2022-09-04T14:35:46.040150Z",
"updated_at": "2022-09-04T14:35:46.040183Z",
"structure_string": "B6 O9\n1.0\n2.181773 -3.778942 0.000000\n2.181773 3.778942 0.000000\n0.000000 -0.000000 8.351902\nB O\n6 9\ndirect\n0.566985 0.504478 0.007109 B\n0.495521 0.062506 0.340442 B\n0.937493 0.433014 0.673775 B\n0.099823 0.271095 0.223571 B\n0.728903 0.828727 0.556904 B\n0.171272 0.900176 0.890237 B\n0.883770 0.815311 0.986943 O\n0.184688 0.068459 0.320277 O\n0.931541 0.116229 0.653610 O\n0.333369 0.510533 0.115295 O\n0.489466 0.822835 0.448628 O\n0.177164 0.666630 0.781962 O\n0.734807 0.517865 0.577082 O\n0.482133 0.216943 0.910415 O\n0.783056 0.265192 0.243748 O\n",
"nsites": 15,
"nelements": 2,
"elements": [
"B",
"O"
],
"chemical_system": "B-O",
"density": 2.518317271720483,
"density_atomic": 0.10891710375638712,
"volume": 137.71941671851854,
"volume_molar": 5.529104752426773,
"formula_full": "B6 O9",
"formula_reduced": "B2O3",
"formula_anonymous": "A2B3",
"energy_above_hull": 2.940189133333334,
"spacegroup": 152
},
{
"id": "jvasp-14147",
"created_at": "2022-09-04T14:37:41.223938Z",
"updated_at": "2022-09-04T14:37:41.223966Z",
"structure_string": "B6 O9\n1.0\n2.181792 -3.778973 -0.000000\n2.181792 3.778973 0.000000\n0.000000 0.000000 8.349249\nB O\n6 9\ndirect\n0.728958 0.900279 0.100767 B\n0.099720 0.828677 0.434101 B\n0.171322 0.271041 0.767434 B\n0.495360 0.433027 0.317231 B\n0.566972 0.062333 0.650564 B\n0.937667 0.504640 0.983897 B\n0.782964 0.517828 0.413895 O\n0.734863 0.217035 0.080561 O\n0.482171 0.265136 0.747228 O\n0.489337 0.666665 0.209009 O\n0.333334 0.822671 0.542342 O\n0.177328 0.510662 0.875676 O\n0.184518 0.116271 0.337433 O\n0.883729 0.068248 0.670766 O\n0.931752 0.815481 0.004099 O\n",
"nsites": 15,
"nelements": 2,
"elements": [
"B",
"O"
],
"chemical_system": "B-O",
"density": 2.5190748724734857,
"density_atomic": 0.10894986995338196,
"volume": 137.67799820613166,
"volume_molar": 5.527441898349015,
"formula_full": "B6 O9",
"formula_reduced": "B2O3",
"formula_anonymous": "A2B3",
"energy_above_hull": 2.940191133333334,
"spacegroup": 152
},
{
"id": "jvasp-62678",
"created_at": "2022-09-04T14:36:02.631847Z",
"updated_at": "2022-09-04T14:36:02.631869Z",
"structure_string": "B6 O9\n1.0\n2.181795 -3.778979 -0.000000\n2.181795 3.778979 0.000000\n0.000000 0.000000 8.351434\nB O\n6 9\ndirect\n0.433064 0.495442 0.016107 B\n0.504561 0.937624 0.349440 B\n0.062379 0.566938 0.682773 B\n0.900265 0.729021 0.232564 B\n0.270981 0.171243 0.565897 B\n0.828759 0.099738 0.899230 B\n0.116296 0.184603 0.995924 O\n0.815400 0.931695 0.329258 O\n0.068308 0.883706 0.662590 O\n0.666667 0.489470 0.124328 O\n0.510532 0.177197 0.457662 O\n0.822805 0.333336 0.790994 O\n0.265065 0.482094 0.586077 O\n0.517909 0.782973 0.919410 O\n0.217029 0.734937 0.252743 O\n",
"nsites": 15,
"nelements": 2,
"elements": [
"B",
"O"
],
"chemical_system": "B-O",
"density": 2.518408341175966,
"density_atomic": 0.10892104250606066,
"volume": 137.7144365760671,
"volume_molar": 5.528904811634456,
"formula_full": "B6 O9",
"formula_reduced": "B2O3",
"formula_anonymous": "A2B3",
"energy_above_hull": 2.940189133333334,
"spacegroup": 152
}
]
}