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=spacegroup&page=243",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=spacegroup&page=241",
"results": [
{
"id": "jvasp-7130",
"created_at": "2022-09-04T14:38:32.447240Z",
"updated_at": "2022-09-04T14:38:32.447260Z",
"structure_string": "H6 Pb1 C1 N1 Cl3\n1.0\n5.701355 0.000051 0.120204\n0.000049 5.643609 -0.000216\n0.122026 -0.000209 5.776681\nH Pb C N Cl\n6 1 1 1 3\ndirect\n0.940255 0.999896 0.757797 H\n0.803901 0.159785 -0.003676 H\n0.803866 0.840148 -0.003628 H\n0.229469 0.149702 0.020825 H\n0.229446 0.850152 0.020858 H\n0.106812 0.999979 0.243247 H\n0.482234 0.499940 0.492520 Pb\n0.902437 -0.000057 0.945299 C\n0.129912 0.999944 0.064517 N\n0.434063 0.499941 0.987086 Cl\n0.440049 0.999939 0.529559 Cl\n0.975535 0.499930 0.441377 Cl\n",
"nsites": 12,
"nelements": 5,
"elements": [
"H",
"Pb",
"C",
"N",
"Cl"
],
"chemical_system": "C-Cl-H-N-Pb",
"density": 3.0891081695456157,
"density_atomic": 0.06458941071216617,
"volume": 185.7889686202023,
"volume_molar": 9.32372767238401,
"formula_full": "H6 Pb1 C1 N1 Cl3",
"formula_reduced": "H6PbCNCl3",
"formula_anonymous": "ABCD3E6",
"energy_above_hull": 2.7128521893749995,
"spacegroup": 6
},
{
"id": "jvasp-118311",
"created_at": "2022-09-04T14:38:32.536433Z",
"updated_at": "2022-09-04T14:38:32.536457Z",
"structure_string": "Sn1 O1 F1\n1.0\n6.350127 0.000000 0.000000\n0.000000 6.350127 0.000000\n0.000000 0.000000 4.762595\nSn O F\n1 1 1\ndirect\n-0.042863 -0.059246 0.000000 Sn\n0.042700 0.296398 0.000000 O\n0.287861 -0.006641 0.000000 F\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Sn",
"O",
"F"
],
"chemical_system": "F-O-Sn",
"density": 1.3290353704149052,
"density_atomic": 0.015621142021024966,
"volume": 192.04741855379137,
"volume_molar": 38.55121957085225,
"formula_full": "Sn1 O1 F1",
"formula_reduced": "SnOF",
"formula_anonymous": "ABC",
"energy_above_hull": 0.6686984941666668,
"spacegroup": 6
},
{
"id": "jvasp-7112",
"created_at": "2022-09-04T14:38:32.699726Z",
"updated_at": "2022-09-04T14:38:32.699758Z",
"structure_string": "H6 Pb1 C1 I3 N1\n1.0\n6.354692 0.000341 0.095357\n-0.000018 6.290642 -0.000397\n0.096862 0.000010 6.388279\nH Pb C I N\n6 1 1 3 1\ndirect\n0.423496 0.499856 0.277048 H\n0.305156 0.643295 0.494044 H\n0.305142 0.356626 0.494147 H\n0.688810 0.634009 0.513603 H\n0.688802 0.365861 0.513690 H\n0.581650 0.500028 0.715438 H\n0.954741 0.999908 0.981867 Pb\n0.392746 0.499932 0.446872 C\n0.911627 0.999941 0.479387 I\n0.922743 0.499905 0.017545 I\n0.441417 0.999860 0.939976 I\n0.599445 0.499958 0.553518 N\n",
"nsites": 12,
"nelements": 5,
"elements": [
"H",
"Pb",
"C",
"I",
"N"
],
"chemical_system": "C-H-I-N-Pb",
"density": 4.032284475959532,
"density_atomic": 0.04700095890168342,
"volume": 255.3139399794288,
"volume_molar": 12.81280403788593,
"formula_full": "H6 Pb1 C1 I3 N1",
"formula_reduced": "H6PbCI3N",
"formula_anonymous": "ABCD3E6",
"energy_above_hull": 2.603956074583334,
"spacegroup": 6
},
{
"id": "jvasp-7127",
"created_at": "2022-09-04T14:38:33.515439Z",
"updated_at": "2022-09-04T14:38:33.515463Z",
"structure_string": "H6 Pb1 C1 Br3 N1\n1.0\n5.959283 0.000191 0.114473\n0.000187 5.902963 -0.000272\n0.114993 -0.000266 6.020397\nH Pb C Br N\n6 1 1 3 1\ndirect\n0.943208 0.999908 0.768066 H\n0.813533 0.152762 -0.002797 H\n0.813505 0.847178 -0.002771 H\n0.221456 0.142931 0.020897 H\n0.221445 0.856909 0.020903 H\n0.104300 0.999957 0.234232 H\n0.479531 0.499954 0.490891 Pb\n0.907636 -0.000054 0.948020 C\n0.435197 0.499934 0.986900 Br\n0.442577 -0.000051 0.526989 Br\n0.969635 0.499931 0.441803 Br\n0.125954 0.999935 0.062655 N\n",
"nsites": 12,
"nelements": 5,
"elements": [
"H",
"Pb",
"C",
"Br",
"N"
],
"chemical_system": "Br-C-H-N-Pb",
"density": 3.7569374759842153,
"density_atomic": 0.05668281631549115,
"volume": 211.70437144846764,
"volume_molar": 10.624279369749976,
"formula_full": "H6 Pb1 C1 Br3 N1",
"formula_reduced": "H6PbCBr3N",
"formula_anonymous": "ABCD3E6",
"energy_above_hull": 2.665093032083333,
"spacegroup": 6
},
{
"id": "jvasp-118474",
"created_at": "2022-09-04T14:38:33.817885Z",
"updated_at": "2022-09-04T14:38:33.817901Z",
"structure_string": "H1 S1 O1\n1.0\n6.477130 -0.000000 0.000000\n-0.000000 6.477130 0.000000\n0.000000 0.000000 4.762595\nH S O\n1 1 1\ndirect\n-0.012117 -0.020267 0.000000 H\n-0.015926 0.216787 0.000000 S\n0.155874 -0.021755 0.000000 O\n",
"nsites": 3,
"nelements": 3,
"elements": [
"H",
"S",
"O"
],
"chemical_system": "H-O-S",
"density": 0.4078279497558781,
"density_atomic": 0.015014551905253628,
"volume": 199.80616264347475,
"volume_molar": 40.10869453848196,
"formula_full": "H1 S1 O1",
"formula_reduced": "HSO",
"formula_anonymous": "ABC",
"energy_above_hull": 2.244647833333333,
"spacegroup": 6
},
{
"id": "jvasp-116892",
"created_at": "2022-09-04T14:38:34.729084Z",
"updated_at": "2022-09-04T14:38:34.729110Z",
"structure_string": "Na5 Ni2 P2 C2 O14\n1.0\n6.472785 -0.000000 0.000000\n0.000000 5.084320 0.121404\n-0.000000 -0.045407 8.855976\nNa Ni P C O\n5 2 2 2 14\ndirect\n0.262732 0.240202 0.257030 Na\n0.737268 0.240202 0.257030 Na\n0.753687 0.756425 0.741540 Na\n0.246312 0.756425 0.741540 Na\n-0.000000 0.228743 0.923297 Na\n-0.000000 0.777272 0.350869 Ni\n0.500000 0.221785 0.653381 Ni\n-0.000000 0.295063 0.580915 P\n0.500000 0.707113 0.420595 P\n-0.000000 0.720185 0.067962 C\n0.500000 0.280675 0.927216 C\n-0.000000 0.600059 0.553951 O\n0.500000 0.483215 0.834289 O\n0.187562 0.217727 0.683085 O\n0.812437 0.217727 0.683085 O\n0.500000 0.849295 0.572818 O\n0.500000 0.400926 0.454424 O\n-0.000000 0.944146 0.137491 O\n0.691896 0.778604 0.323836 O\n0.308104 0.778604 0.323836 O\n-0.000000 0.507925 0.150963 O\n0.500000 0.055132 0.855880 O\n0.500000 0.294241 0.068474 O\n-0.000000 0.157425 0.428537 O\n-0.000000 0.713931 0.922912 O\n",
"nsites": 25,
"nelements": 5,
"elements": [
"Na",
"Ni",
"P",
"C",
"O"
],
"chemical_system": "C-Na-Ni-O-P",
"density": 3.089384607989215,
"density_atomic": 0.0857682111409479,
"volume": 291.483285793568,
"volume_molar": 7.021413504944699,
"formula_full": "Na5 Ni2 P2 C2 O14",
"formula_reduced": "Na5Ni2P2(CO7)2",
"formula_anonymous": "A2B2C2D5E14",
"energy_above_hull": 2.4962419920000007,
"spacegroup": 6
},
{
"id": "jvasp-117463",
"created_at": "2022-09-04T14:38:34.919379Z",
"updated_at": "2022-09-04T14:38:34.919407Z",
"structure_string": "Ba1 B1 P1\n1.0\n4.828432 -0.180116 0.000000\n-1.053564 5.264021 0.000000\n0.000000 0.000000 5.352585\nBa B P\n1 1 1\ndirect\n-0.239316 -0.208300 0.000000 Ba\n0.358835 0.158205 0.000000 B\n0.152508 0.385631 0.000000 P\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"B",
"P"
],
"chemical_system": "B-Ba-P",
"density": 2.2026247598360897,
"density_atomic": 0.02221716128800865,
"volume": 135.0307521789114,
"volume_molar": 27.105806551669374,
"formula_full": "Ba1 B1 P1",
"formula_reduced": "BaBP",
"formula_anonymous": "ABC",
"energy_above_hull": 2.201838017777778,
"spacegroup": 6
},
{
"id": "jvasp-34046",
"created_at": "2022-09-04T14:38:35.419294Z",
"updated_at": "2022-09-04T14:38:35.419312Z",
"structure_string": "Te7 Mo4 S1\n1.0\n1.576663 -3.146807 0.001048\n-0.012501 -0.001523 14.166668\n-5.444582 -2.727928 0.004573\nTe Mo S\n7 4 1\ndirect\n0.000002 0.630596 0.334132 Te\n0.499997 0.119328 0.166497 Te\n0.499998 0.377362 0.167731 Te\n0.000003 0.884941 0.333250 Te\n0.500002 0.622527 0.831449 Te\n0.999997 0.118716 0.669551 Te\n0.999998 0.377609 0.666330 Te\n0.999998 0.247933 0.334644 Mo\n0.500002 0.757056 0.154023 Mo\n0.499998 0.248797 0.833560 Mo\n0.000003 0.756682 0.677288 Mo\n0.500004 0.858453 0.831547 S\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Te",
"Mo",
"S"
],
"chemical_system": "Mo-S-Te",
"density": 7.158546878907171,
"density_atomic": 0.03951928522990972,
"volume": 303.6492165834502,
"volume_molar": 15.238486032743863,
"formula_full": "Te7 Mo4 S1",
"formula_reduced": "Te7Mo4S",
"formula_anonymous": "AB4C7",
"energy_above_hull": 3.2515723305555557,
"spacegroup": 6
},
{
"id": "jvasp-33937",
"created_at": "2022-09-04T14:38:36.323329Z",
"updated_at": "2022-09-04T14:38:36.323343Z",
"structure_string": "Te5 Mo4 S3\n1.0\n1.880055 2.857113 -0.000108\n0.247290 -0.163244 -14.114461\n-4.910732 3.231395 0.115591\nTe Mo S\n5 4 3\ndirect\n0.500001 0.372858 0.148723 Te\n0.500001 0.616236 0.850762 Te\n0.500001 0.109377 0.118982 Te\n0.000001 0.379603 0.647834 Te\n-0.000001 0.889322 0.378196 Te\n0.499999 0.752468 0.197898 Mo\n0.500001 0.243198 0.793376 Mo\n0.000001 0.752187 0.697194 Mo\n0.000002 0.241414 0.310073 Mo\n0.500001 0.853884 0.874696 S\n0.000000 0.650209 0.354949 S\n0.000003 0.139244 0.627322 S\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Te",
"Mo",
"S"
],
"chemical_system": "Mo-S-Te",
"density": 6.544385586734684,
"density_atomic": 0.042303539449782296,
"volume": 283.66420767805886,
"volume_molar": 14.235548226759526,
"formula_full": "Te5 Mo4 S3",
"formula_reduced": "Te5Mo4S3",
"formula_anonymous": "A3B4C5",
"energy_above_hull": 3.4372468694444445,
"spacegroup": 6
},
{
"id": "jvasp-117670",
"created_at": "2022-09-04T14:38:36.466381Z",
"updated_at": "2022-09-04T14:38:36.466396Z",
"structure_string": "Be1 V1 Cl1\n1.0\n4.465644 0.726827 0.000000\n0.692346 4.484653 0.000000\n0.000000 0.000000 2.740198\nBe V Cl\n1 1 1\ndirect\n0.386861 0.013699 0.000000 Be\n-0.077780 -0.122999 0.000000 V\n-0.052926 0.373587 0.000000 Cl\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Be",
"V",
"Cl"
],
"chemical_system": "Be-Cl-V",
"density": 2.9613175199656854,
"density_atomic": 0.05607616963280517,
"volume": 53.49866118967169,
"volume_molar": 10.739215605191731,
"formula_full": "Be1 V1 Cl1",
"formula_reduced": "BeVCl",
"formula_anonymous": "ABC",
"energy_above_hull": 2.0274681225,
"spacegroup": 6
},
{
"id": "jvasp-33950",
"created_at": "2022-09-04T14:38:38.460550Z",
"updated_at": "2022-09-04T14:38:38.460571Z",
"structure_string": "Te5 Mo4 S3\n1.0\n-3.414321 0.200304 -0.000893\n-0.020743 -0.290683 14.116872\n0.344302 5.868310 -0.118730\nTe Mo S\n5 4 3\ndirect\n0.000001 0.627196 0.351862 Te\n0.500001 0.110657 0.121112 Te\n0.000002 0.890640 0.381717 Te\n0.499997 0.620435 0.852745 Te\n-0.000001 0.383718 0.648676 Te\n0.000001 0.247507 0.301442 Mo\n0.500001 0.758614 0.190583 Mo\n0.499999 0.247779 0.802172 Mo\n-0.000002 0.756831 0.707271 Mo\n0.500001 0.349751 0.144448 S\n-0.000001 0.146116 0.624588 S\n0.499998 0.860755 0.873385 S\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Te",
"Mo",
"S"
],
"chemical_system": "Mo-S-Te",
"density": 6.543443269096309,
"density_atomic": 0.042297448217708485,
"volume": 283.7050580033812,
"volume_molar": 14.237598280169387,
"formula_full": "Te5 Mo4 S3",
"formula_reduced": "Te5Mo4S3",
"formula_anonymous": "A3B4C5",
"energy_above_hull": 3.4372468694444445,
"spacegroup": 6
},
{
"id": "jvasp-34134",
"created_at": "2022-09-04T14:38:39.982950Z",
"updated_at": "2022-09-04T14:38:39.982975Z",
"structure_string": "Te7 Mo8 S9\n1.0\n-1.842386 -2.802569 -0.000059\n0.107490 -0.070510 14.266992\n-7.719368 9.088451 -0.102039\nTe Mo S\n7 8 9\ndirect\n0.812428 0.606972 0.812439 Te\n0.039163 0.600069 0.539182 Te\n0.544293 0.893469 0.044278 Te\n0.453155 0.400629 0.953139 Te\n0.320946 0.886149 0.320935 Te\n0.179846 0.119176 0.179855 Te\n0.955003 0.110804 0.455015 Te\n0.364426 0.243916 0.364424 Mo\n0.857513 0.266597 0.857512 Mo\n0.887469 0.745846 0.387474 Mo\n0.117688 0.253064 0.617691 Mo\n0.386837 0.747209 0.886832 Mo\n0.612291 0.258915 0.112285 Mo\n0.137561 0.761182 0.137562 Mo\n0.636445 0.733495 0.636445 Mo\n0.292087 0.648201 0.292104 S\n0.208415 0.356915 0.208396 S\n0.560310 0.654809 0.060322 S\n0.946261 0.349095 0.446247 S\n0.064115 0.839865 0.564106 S\n0.702764 0.149810 0.702777 S\n0.688050 0.365593 0.688037 S\n0.796517 0.845377 0.796500 S\n0.436440 0.162837 0.936448 S\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Te",
"Mo",
"S"
],
"chemical_system": "Mo-S-Te",
"density": 5.91212268869155,
"density_atomic": 0.04383548191872779,
"volume": 547.5016801342956,
"volume_molar": 13.7380507671051,
"formula_full": "Te7 Mo8 S9",
"formula_reduced": "Te7Mo8S9",
"formula_anonymous": "A7B8C9",
"energy_above_hull": 3.766038398611111,
"spacegroup": 6
}
]
}