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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=chemical_system&page=1588",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=chemical_system&page=1586",
"results": [
{
"id": "jvasp-3756",
"created_at": "2022-09-04T14:36:22.280808Z",
"updated_at": "2022-09-04T14:36:22.280825Z",
"structure_string": "Co1 H4 Br2 O2\n1.0\n3.739447 0.046836 -0.368942\n-0.652215 5.628243 -0.759588\n0.056100 0.039198 5.716593\nCo H Br O\n1 4 2 2\ndirect\n-0.000000 0.000000 -0.000000 Co\n0.845861 0.214958 0.614869 H\n0.154119 0.385187 0.785102 H\n0.845884 0.614814 0.214898 H\n0.154141 0.785042 0.385131 H\n0.437900 0.756289 0.756250 Br\n0.562102 0.243712 0.243750 Br\n0.000046 0.767045 0.232871 O\n-0.000047 0.232954 0.767128 O\n",
"nsites": 9,
"nelements": 4,
"elements": [
"Co",
"H",
"Br",
"O"
],
"chemical_system": "Br-Co-H-O",
"density": 3.5043366430709315,
"density_atomic": 0.07455005241088357,
"volume": 120.72426120368615,
"volume_molar": 8.077983267951167,
"formula_full": "Co1 H4 Br2 O2",
"formula_reduced": "CoH4(BrO)2",
"formula_anonymous": "AB2C2D4",
"energy_above_hull": 2.312539567777778,
"spacegroup": 12
},
{
"id": "jvasp-111134",
"created_at": "2022-09-04T14:38:37.088547Z",
"updated_at": "2022-09-04T14:38:37.088561Z",
"structure_string": "Co1 H4 Br2 O2\n1.0\n3.729164 0.098574 -0.406935\n-0.720264 5.634212 -0.646686\n0.125496 -0.101553 5.714478\nCo H Br O\n1 4 2 2\ndirect\n0.000000 0.000000 0.000000 Co\n0.846281 0.214595 0.615691 H\n0.153720 0.384310 0.785403 H\n0.846280 0.615689 0.214597 H\n0.153722 0.785404 0.384309 H\n0.438961 0.755280 0.755279 Br\n0.561039 0.244719 0.244721 Br\n0.999999 0.767677 0.232322 O\n1.000000 0.232322 0.767678 O\n",
"nsites": 9,
"nelements": 4,
"elements": [
"Co",
"H",
"Br",
"O"
],
"chemical_system": "Br-Co-H-O",
"density": 3.5115254311293227,
"density_atomic": 0.07470298421541881,
"volume": 120.47711473007509,
"volume_molar": 8.061446036257573,
"formula_full": "Co1 H4 Br2 O2",
"formula_reduced": "CoH4(BrO)2",
"formula_anonymous": "AB2C2D4",
"energy_above_hull": 2.311590678888889,
"spacegroup": 12
},
{
"id": "jvasp-32387",
"created_at": "2022-09-04T14:38:01.381744Z",
"updated_at": "2022-09-04T14:38:01.381773Z",
"structure_string": "Co1 H12 Br2 O6\n1.0\n6.476001 -0.013973 -0.677738\n-3.022173 4.958711 -2.945467\n0.099597 -0.153751 6.717040\nCo H Br O\n1 12 2 6\ndirect\n0.000000 0.000000 0.000000 Co\n0.727033 0.439958 0.166990 H\n0.272968 0.560042 0.833010 H\n0.689994 0.016529 0.234905 H\n0.781624 0.455091 0.765095 H\n0.310007 0.983471 0.765094 H\n0.218377 0.544910 0.234905 H\n0.802803 0.859190 0.278981 H\n0.580209 0.523821 0.721018 H\n0.187849 0.356916 0.544764 H\n0.197198 0.140810 0.721018 H\n0.419792 0.476179 0.278982 H\n0.812152 0.643084 0.455236 H\n0.713949 0.105666 0.819614 Br\n0.286052 0.894334 0.180386 Br\n0.712192 0.586646 0.298836 O\n0.287809 0.413355 0.701164 O\n0.839092 0.009173 0.253515 O\n0.755658 0.585577 0.746485 O\n0.160909 -0.009172 0.746485 O\n0.244343 0.414423 0.253515 O\n",
"nsites": 21,
"nelements": 4,
"elements": [
"Co",
"H",
"Br",
"O"
],
"chemical_system": "Br-Co-H-O",
"density": 2.553860027622904,
"density_atomic": 0.09881925006257336,
"volume": 212.50920227286267,
"volume_molar": 6.094096804202337,
"formula_full": "Co1 H12 Br2 O6",
"formula_reduced": "CoH12(BrO3)2",
"formula_anonymous": "AB2C6D12",
"energy_above_hull": 2.8812938147619045,
"spacegroup": 12
},
{
"id": "jvasp-60699",
"created_at": "2022-09-04T14:37:06.734077Z",
"updated_at": "2022-09-04T14:37:06.734102Z",
"structure_string": "Co2 Sb4 Br4 O6\n1.0\n5.255174 -0.022902 0.030896\n0.992398 8.015466 0.061895\n1.123839 0.250242 7.875437\nCo Sb Br O\n2 4 4 6\ndirect\n0.528607 0.286518 0.483170 Co\n0.471392 0.713482 0.516830 Co\n0.100580 0.033715 0.299423 Sb\n0.073935 0.481887 0.291736 Sb\n0.899419 0.966285 0.700577 Sb\n0.926065 0.518113 0.708264 Sb\n0.649150 0.788383 0.213056 Br\n0.350849 0.211617 0.786945 Br\n0.752465 0.305424 0.124004 Br\n0.247535 0.694577 0.875997 Br\n0.216653 0.914011 0.517692 O\n0.770059 0.752700 0.637586 O\n0.765295 0.465805 0.484864 O\n0.234705 0.534195 0.515137 O\n0.783346 0.085989 0.482308 O\n0.229941 0.247301 0.362414 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Co",
"Sb",
"Br",
"O"
],
"chemical_system": "Br-Co-O-Sb",
"density": 5.1110279380061945,
"density_atomic": 0.04825675722302385,
"volume": 331.5597839708595,
"volume_molar": 12.479373058923173,
"formula_full": "Co2 Sb4 Br4 O6",
"formula_reduced": "CoSb2Br2O3",
"formula_anonymous": "AB2C2D3",
"energy_above_hull": 1.84456897625,
"spacegroup": 2
},
{
"id": "jvasp-94989",
"created_at": "2022-09-04T14:36:05.808257Z",
"updated_at": "2022-09-04T14:36:05.808282Z",
"structure_string": "Sr2 Co1 Br2 O2\n1.0\n3.824999 -0.000000 -0.874417\n-0.199897 3.819773 -0.874417\n0.153410 0.161648 9.474208\nSr Co Br O\n2 1 2 2\ndirect\n0.403617 0.403618 0.807235 Sr\n0.596381 0.596381 0.192763 Sr\n0.000000 0.000000 0.000000 Co\n0.178503 0.178503 0.357007 Br\n0.821496 0.821496 0.642993 Br\n-0.000000 0.500000 0.000001 O\n0.500000 0.000000 0.000001 O\n",
"nsites": 7,
"nelements": 4,
"elements": [
"Sr",
"Co",
"Br",
"O"
],
"chemical_system": "Br-Co-O-Sr",
"density": 5.070457683957029,
"density_atomic": 0.050177255226916344,
"volume": 139.50543863636892,
"volume_molar": 12.0017341179108,
"formula_full": "Sr2 Co1 Br2 O2",
"formula_reduced": "Sr2Co(BrO)2",
"formula_anonymous": "AB2C2D2",
"energy_above_hull": 0.8075326757142858,
"spacegroup": 139
},
{
"id": "jvasp-8616",
"created_at": "2022-09-04T14:36:31.735215Z",
"updated_at": "2022-09-04T14:36:31.735229Z",
"structure_string": "Sr2 Co1 Br2 O2\n1.0\n3.813710 0.000000 -0.922195\n-0.222997 3.807186 -0.922195\n0.272452 0.288876 9.473551\nSr Co Br O\n2 1 2 2\ndirect\n0.596330 0.596329 0.192658 Sr\n0.403669 0.403672 0.807342 Sr\n0.000000 0.000000 0.000000 Co\n0.178426 0.178427 0.356851 Br\n0.821573 0.821574 0.643147 Br\n0.500001 0.000000 -0.000000 O\n0.999999 0.500001 -0.000001 O\n",
"nsites": 7,
"nelements": 4,
"elements": [
"Sr",
"Co",
"Br",
"O"
],
"chemical_system": "Br-Co-O-Sr",
"density": 5.067632796178318,
"density_atomic": 0.05014930013412299,
"volume": 139.58320417789847,
"volume_molar": 12.008424332730351,
"formula_full": "Sr2 Co1 Br2 O2",
"formula_reduced": "Sr2Co(BrO)2",
"formula_anonymous": "AB2C2D2",
"energy_above_hull": 0.8075226757142857,
"spacegroup": 139
},
{
"id": "jvasp-89268",
"created_at": "2022-09-04T14:38:12.172003Z",
"updated_at": "2022-09-04T14:38:12.172029Z",
"structure_string": "Pb8 C4 Br8 O12\n1.0\n8.381912 0.000000 0.000000\n0.000000 8.381912 -0.000000\n-0.000000 -0.000000 9.134068\nPb C Br O\n8 4 8 12\ndirect\n0.161142 0.661142 0.252295 Pb\n0.338858 0.161142 0.252295 Pb\n0.661142 0.838858 0.252295 Pb\n0.661142 0.838858 0.747705 Pb\n0.338858 0.161142 0.747705 Pb\n0.838858 0.338858 0.252295 Pb\n0.161142 0.661142 0.747705 Pb\n0.838858 0.338858 0.747705 Pb\n0.674820 0.174820 0.000000 C\n0.825180 0.674820 0.000000 C\n0.174820 0.325180 0.000000 C\n0.325180 0.825180 0.000000 C\n0.849963 0.650037 0.500000 Br\n0.650037 0.150037 0.500000 Br\n0.349963 0.849963 0.500000 Br\n0.500000 0.500000 0.232992 Br\n0.000000 0.000000 0.767008 Br\n0.500000 0.500000 0.767008 Br\n0.000000 0.000000 0.232992 Br\n0.150037 0.349963 0.500000 Br\n0.625343 0.125343 0.125675 O\n0.125343 0.374657 0.874326 O\n0.874657 0.625343 0.874326 O\n0.874657 0.625343 0.125675 O\n0.125343 0.374657 0.125675 O\n0.714193 0.785807 0.000000 O\n0.785807 0.285807 0.000000 O\n0.285807 0.214193 0.000000 O\n0.214193 0.714193 0.000000 O\n0.374657 0.874657 0.874326 O\n0.374657 0.874657 0.125675 O\n0.625343 0.125343 0.874326 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Pb",
"C",
"Br",
"O"
],
"chemical_system": "Br-C-O-Pb",
"density": 6.564421586352158,
"density_atomic": 0.04986542719332338,
"volume": 641.7271805561624,
"volume_molar": 12.076785658834828,
"formula_full": "Pb8 C4 Br8 O12",
"formula_reduced": "Pb2CBr2O3",
"formula_anonymous": "AB2C2D3",
"energy_above_hull": 1.81704504375,
"spacegroup": 127
},
{
"id": "jvasp-33121",
"created_at": "2022-09-04T14:38:35.509500Z",
"updated_at": "2022-09-04T14:38:35.509516Z",
"structure_string": "Ru2 C6 Br4 O6\n1.0\n6.250716 -0.046306 1.532111\n1.924410 5.947290 1.532111\n0.055275 0.039898 9.329919\nRu C Br O\n2 6 4 6\ndirect\n0.064221 0.064222 0.785849 Ru\n0.935779 0.935778 0.214151 Ru\n0.091445 0.717289 0.358778 C\n0.717289 0.091445 0.358778 C\n0.908555 0.282711 0.641222 C\n0.755453 0.755452 0.208412 C\n0.282711 0.908555 0.641222 C\n0.244547 0.244547 0.791588 C\n0.760288 0.239713 -0.000000 Br\n0.176912 0.176912 0.226386 Br\n0.823088 0.823088 0.773614 Br\n0.239713 0.760287 -0.000000 Br\n0.584431 0.192684 0.443494 O\n0.645105 0.645104 0.213581 O\n0.354895 0.354895 0.786419 O\n0.807316 0.415568 0.556506 O\n0.415569 0.807316 0.556506 O\n0.192684 0.584431 0.443494 O\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Ru",
"C",
"Br",
"O"
],
"chemical_system": "Br-C-O-Ru",
"density": 3.302034875318025,
"density_atomic": 0.05188853657166129,
"volume": 346.8974303243431,
"volume_molar": 11.605917526086037,
"formula_full": "Ru2 C6 Br4 O6",
"formula_reduced": "RuC3Br2O3",
"formula_anonymous": "AB2C3D3",
"energy_above_hull": 3.8202832455555553,
"spacegroup": 12
},
{
"id": "jvasp-29246",
"created_at": "2022-09-04T14:38:05.196581Z",
"updated_at": "2022-09-04T14:38:05.196609Z",
"structure_string": "Th6 Co1 Br15\n1.0\n9.418296 -0.000000 -3.329871\n-4.709147 8.156484 -3.329871\n0.000000 0.000000 9.989611\nTh Co Br\n6 1 15\ndirect\n-0.000000 0.240691 0.240691 Th\n0.759309 0.000000 0.759308 Th\n0.759308 0.759308 -0.000000 Th\n0.240692 0.240691 -0.000000 Th\n-0.000000 0.759308 0.759308 Th\n0.240692 0.000000 0.240692 Th\n0.000000 0.000000 0.000000 Co\n0.509144 0.254572 0.254573 Br\n-0.000000 0.254572 0.745427 Br\n0.745428 0.000000 0.254573 Br\n0.254572 0.745427 -0.000000 Br\n0.745428 0.254572 0.000000 Br\n0.254573 0.254572 0.509144 Br\n-0.000000 0.745427 0.254572 Br\n0.745427 0.745427 0.490856 Br\n0.490856 0.745427 0.745427 Br\n0.745428 0.490856 0.745427 Br\n-0.000000 0.500000 0.500000 Br\n0.500000 0.000000 0.500000 Br\n0.500000 0.500000 -0.000000 Br\n0.254572 0.509144 0.254572 Br\n0.254573 -0.000000 0.745427 Br\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Th",
"Co",
"Br"
],
"chemical_system": "Br-Co-Th",
"density": 5.733574173110812,
"density_atomic": 0.028668091364291905,
"volume": 767.4037214560619,
"volume_molar": 21.00642377434653,
"formula_full": "Th6 Co1 Br15",
"formula_reduced": "Th6CoBr15",
"formula_anonymous": "AB6C15",
"energy_above_hull": 1.2133639125000002,
"spacegroup": 229
},
{
"id": "jvasp-58837",
"created_at": "2022-09-04T14:37:31.966396Z",
"updated_at": "2022-09-04T14:37:31.966420Z",
"structure_string": "Th6 Co1 Br15\n1.0\n9.418257 -0.000000 -3.329857\n-4.709128 8.156450 -3.329857\n0.000000 0.000000 9.989570\nTh Co Br\n6 1 15\ndirect\n-0.000000 0.240692 0.240692 Th\n0.759309 0.000000 0.759308 Th\n0.759308 0.759308 -0.000000 Th\n0.240692 0.240692 -0.000000 Th\n-0.000000 0.759308 0.759308 Th\n0.240692 0.000000 0.240692 Th\n0.000000 0.000000 0.000000 Co\n0.509156 0.254578 0.254578 Br\n-0.000000 0.254578 0.745422 Br\n0.745422 0.000000 0.254578 Br\n0.254578 0.745422 -0.000000 Br\n0.745422 0.254578 -0.000000 Br\n0.254578 0.254578 0.509155 Br\n-0.000000 0.745422 0.254578 Br\n0.745422 0.745422 0.490844 Br\n0.490845 0.745422 0.745421 Br\n0.745422 0.490845 0.745421 Br\n-0.000000 0.500000 0.500000 Br\n0.500000 0.000000 0.500000 Br\n0.500000 0.500000 -0.000000 Br\n0.254578 0.509155 0.254578 Br\n0.254578 -0.000000 0.745422 Br\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Th",
"Co",
"Br"
],
"chemical_system": "Br-Co-Th",
"density": 5.733645348014215,
"density_atomic": 0.028668447241546127,
"volume": 767.3941952502312,
"volume_molar": 21.006163010017342,
"formula_full": "Th6 Co1 Br15",
"formula_reduced": "Th6CoBr15",
"formula_anonymous": "AB6C15",
"energy_above_hull": 1.2133639125000002,
"spacegroup": 229
},
{
"id": "jvasp-120428",
"created_at": "2022-09-04T14:38:52.048462Z",
"updated_at": "2022-09-04T14:38:52.048491Z",
"structure_string": "Pr6 C2 Br10\n1.0\n7.535108 -0.022437 -1.008719\n-2.941333 8.114280 -2.868236\n-0.005585 0.015391 9.160583\nPr C Br\n6 2 10\ndirect\n0.888373 0.959048 0.237200 Pr\n0.111626 0.040952 0.762799 Pr\n0.023282 0.712383 0.915081 Pr\n0.976718 0.287617 0.084918 Pr\n0.599224 0.841222 0.796164 Pr\n0.400776 0.158777 0.203835 Pr\n0.906827 0.965659 0.954339 C\n0.093172 0.034341 0.045660 C\n0.097011 0.374335 0.817187 Br\n0.902989 0.625664 0.182812 Br\n0.165607 0.719196 0.628514 Br\n0.834393 0.280803 0.371485 Br\n0.734176 0.914453 0.530087 Br\n0.452904 0.814220 0.089331 Br\n0.265824 0.085547 0.469912 Br\n0.635932 0.517554 0.714749 Br\n0.547096 0.185779 0.910668 Br\n0.364068 0.482445 0.285250 Br\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Pr",
"C",
"Br"
],
"chemical_system": "Br-C-Pr",
"density": 4.949095450342245,
"density_atomic": 0.03215297230313903,
"volume": 559.8238268703604,
"volume_molar": 18.729654923417673,
"formula_full": "Pr6 C2 Br10",
"formula_reduced": "Pr3CBr5",
"formula_anonymous": "AB3C5",
"energy_above_hull": 1.2187833416666665,
"spacegroup": 2
},
{
"id": "jvasp-56993",
"created_at": "2022-09-04T14:37:09.740912Z",
"updated_at": "2022-09-04T14:37:09.740935Z",
"structure_string": "Pr4 C2 Br2\n1.0\n1.919501 -3.324674 0.000000\n1.919501 3.324674 -0.000000\n0.000000 -0.000000 14.989844\nPr C Br\n4 2 2\ndirect\n0.333333 0.666667 0.907036 Pr\n0.666667 0.333333 0.407037 Pr\n0.666667 0.333333 0.092963 Pr\n0.333333 0.666667 0.592963 Pr\n0.000000 0.000000 0.000000 C\n0.000000 0.000000 0.500000 C\n0.666667 0.333333 0.750000 Br\n0.333333 0.666667 0.250000 Br\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Pr",
"C",
"Br"
],
"chemical_system": "Br-C-Pr",
"density": 6.487427767960611,
"density_atomic": 0.04181436138655453,
"volume": 191.3218266337654,
"volume_molar": 14.402087130610653,
"formula_full": "Pr4 C2 Br2",
"formula_reduced": "Pr2CBr",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.0831409512500003,
"spacegroup": 194
}
]
}