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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=spacegroup&page=304",
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"results": [
{
"id": "jvasp-112803",
"created_at": "2022-09-04T14:38:41.389144Z",
"updated_at": "2022-09-04T14:38:41.389171Z",
"structure_string": "Li8 V4 O8 F4\n1.0\n5.010987 -0.007105 1.228998\n1.098876 6.610153 -2.556925\n0.011811 -0.002695 6.372120\nLi V O F\n8 4 8 4\ndirect\n0.168892 0.830418 0.508094 Li\n0.668892 0.330416 0.008093 Li\n0.998713 0.001836 0.995028 Li\n0.498714 0.501833 0.495027 Li\n0.543403 0.895454 0.752488 Li\n0.043404 0.395452 0.252486 Li\n0.837645 0.172214 0.493199 Li\n0.337645 0.672213 0.993199 Li\n0.754907 0.747387 0.260194 V\n0.944790 0.602310 0.740097 V\n0.254906 0.247388 0.760194 V\n0.444796 0.102312 0.240098 V\n0.835842 0.666157 0.503552 O\n0.335840 0.166156 0.003549 O\n0.495848 0.003237 0.489447 O\n0.995851 0.503239 0.989446 O\n0.734114 0.242360 0.249364 O\n0.234118 0.742363 0.749364 O\n0.170307 0.331718 0.506819 O\n0.670310 0.831714 0.006816 O\n0.932947 0.094246 0.744497 F\n0.082588 0.912669 0.257235 F\n0.582589 0.412673 0.757237 F\n0.432948 0.594249 0.244498 F\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Li",
"V",
"O",
"F"
],
"chemical_system": "F-Li-O-V",
"density": 3.646277755228857,
"density_atomic": 0.11375374501939663,
"volume": 210.9820647742864,
"volume_molar": 5.29401538294246,
"formula_full": "Li8 V4 O8 F4",
"formula_reduced": "Li2VO2F",
"formula_anonymous": "ABC2D2",
"energy_above_hull": 1.4945135804166672,
"spacegroup": 8
},
{
"id": "jvasp-116264",
"created_at": "2022-09-04T14:38:41.894305Z",
"updated_at": "2022-09-04T14:38:41.894333Z",
"structure_string": "Li2 H2\n1.0\n2.852688 -0.212087 0.379888\n-0.158670 -4.707328 -1.156873\n-0.913479 0.711997 -2.643923\nLi H\n2 2\ndirect\n0.016984 0.229074 0.172038 Li\n0.648421 0.749402 0.540378 Li\n0.360409 0.066775 -0.172865 H\n-0.005905 0.596823 0.193145 H\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Li",
"H"
],
"chemical_system": "H-Li",
"density": 0.7324495362866565,
"density_atomic": 0.11098119267825121,
"volume": 36.04214284844204,
"volume_molar": 5.426271438133632,
"formula_full": "Li2 H2",
"formula_reduced": "LiH",
"formula_anonymous": "AB",
"energy_above_hull": 0.8438399999999999,
"spacegroup": 8
},
{
"id": "jvasp-111833",
"created_at": "2022-09-04T14:38:41.542432Z",
"updated_at": "2022-09-04T14:38:41.542448Z",
"structure_string": "Ba2 Tm2 Zn8 O13\n1.0\n6.382963 -0.010882 0.036288\n3.177876 5.535652 0.036288\n0.014446 0.008348 10.192299\nBa Tm Zn O\n2 2 8 13\ndirect\n0.169074 0.169074 0.939137 Ba\n0.838833 0.838833 0.435586 Ba\n0.143562 0.143562 0.299338 Tm\n0.834326 0.834326 0.808577 Tm\n0.340895 0.340895 0.649367 Zn\n0.676611 0.676611 0.127681 Zn\n0.525159 0.525159 0.370387 Zn\n0.497306 0.497306 0.881700 Zn\n0.852043 0.327827 0.626931 Zn\n0.658897 0.158703 0.120010 Zn\n0.158703 0.658897 0.120010 Zn\n0.327828 0.852043 0.626931 Zn\n0.535002 0.001132 0.648700 O\n0.666284 0.666284 0.936029 O\n0.511667 0.511667 0.683133 O\n0.499799 0.499799 0.182873 O\n0.001132 0.535002 0.648700 O\n0.154216 0.621237 0.930137 O\n-0.001257 0.510148 0.220867 O\n0.278868 0.823436 0.435302 O\n0.823436 0.278868 0.435302 O\n0.621236 0.154216 0.930137 O\n0.011419 0.011419 0.155959 O\n0.510148 -0.001258 0.220867 O\n0.024718 0.024718 0.724944 O\n",
"nsites": 25,
"nelements": 4,
"elements": [
"Ba",
"Tm",
"Zn",
"O"
],
"chemical_system": "Ba-O-Tm-Zn",
"density": 6.190075965698128,
"density_atomic": 0.06935161475526777,
"volume": 360.48187325156783,
"volume_molar": 8.683490328597683,
"formula_full": "Ba2 Tm2 Zn8 O13",
"formula_reduced": "Ba2Tm2Zn8O13",
"formula_anonymous": "A2B2C8D13",
"energy_above_hull": 0.9800159656,
"spacegroup": 8
},
{
"id": "jvasp-114777",
"created_at": "2022-09-04T14:38:41.976697Z",
"updated_at": "2022-09-04T14:38:41.976722Z",
"structure_string": "Na1 Cl1 O3\n1.0\n3.159074 2.069109 2.327720\n-2.979197 1.720040 1.760072\n-0.212364 -3.770393 2.327720\nNa Cl O\n1 1 3\ndirect\n0.198015 0.416355 0.198017 Na\n0.698109 -0.232698 0.698110 Cl\n0.809247 0.529436 0.459979 O\n-0.040353 0.882469 -0.040350 O\n0.459977 0.529436 0.809249 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Na",
"Cl",
"O"
],
"chemical_system": "Cl-Na-O",
"density": 2.3825610066582876,
"density_atomic": 0.06739941327759914,
"volume": 74.184622044207,
"volume_molar": 8.935004723552272,
"formula_full": "Na1 Cl1 O3",
"formula_reduced": "NaClO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.374227742333333,
"spacegroup": 8
},
{
"id": "jvasp-112617",
"created_at": "2022-09-04T14:38:42.771132Z",
"updated_at": "2022-09-04T14:38:42.771159Z",
"structure_string": "Y4 Cr1 S7\n1.0\n6.248323 -0.006454 1.698876\n5.099960 3.609984 1.698876\n0.024367 0.007737 11.407309\nY Cr S\n4 1 7\ndirect\n0.687256 0.687257 0.218883 Y\n0.301505 0.301506 0.806474 Y\n0.992909 0.992909 0.007063 Y\n0.117523 0.117523 0.564506 Y\n0.888946 0.888947 0.423696 Cr\n0.752461 0.752462 0.633150 S\n0.278339 0.278339 0.354560 S\n0.329291 0.329291 0.056431 S\n0.654335 0.654336 0.946822 S\n0.027120 0.027121 0.228570 S\n0.963236 0.963237 0.783005 S\n0.507076 0.507076 0.476846 S\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Y",
"Cr",
"S"
],
"chemical_system": "Cr-S-Y",
"density": 4.075772908907455,
"density_atomic": 0.046598706016555094,
"volume": 257.51788034064225,
"volume_molar": 12.923407696901537,
"formula_full": "Y4 Cr1 S7",
"formula_reduced": "Y4CrS7",
"formula_anonymous": "AB4C7",
"energy_above_hull": 2.8551557666666665,
"spacegroup": 8
},
{
"id": "jvasp-116182",
"created_at": "2022-09-04T14:38:41.999265Z",
"updated_at": "2022-09-04T14:38:41.999296Z",
"structure_string": "I2 N1\n1.0\n4.107954 -0.149355 0.340757\n-2.549304 -3.244277 0.052189\n-1.299231 -1.271688 -6.428743\nI N\n2 1\ndirect\n0.802244 0.180311 0.352865 I\n0.650728 0.315601 0.814843 I\n0.880743 0.098666 0.083979 N\n",
"nsites": 3,
"nelements": 2,
"elements": [
"I",
"N"
],
"chemical_system": "I-N",
"density": 5.049201756584486,
"density_atomic": 0.034061121726459705,
"volume": 88.07695836010913,
"volume_molar": 17.680394698574535,
"formula_full": "I2 N1",
"formula_reduced": "I2N",
"formula_anonymous": "AB2",
"energy_above_hull": 1.659021933333333,
"spacegroup": 8
},
{
"id": "jvasp-112615",
"created_at": "2022-09-04T14:38:41.812433Z",
"updated_at": "2022-09-04T14:38:41.812449Z",
"structure_string": "Zr2 Ti1 Pb3 O9\n1.0\n9.147398 -0.028302 0.051510\n-7.301320 5.510574 0.051510\n-0.007504 -0.022286 4.229672\nZr Ti Pb O\n2 1 3 9\ndirect\n0.354975 0.686506 0.030490 Zr\n0.686506 0.354976 0.030490 Zr\n0.017955 0.017955 0.051471 Ti\n0.205797 0.890116 0.584577 Pb\n0.535852 0.535852 0.593532 Pb\n0.890118 0.205797 0.584577 Pb\n0.328668 0.169501 0.972358 O\n0.691285 0.850049 0.972151 O\n0.998775 0.486595 0.978776 O\n0.486595 0.998773 0.978776 O\n0.850050 0.691284 0.972151 O\n0.169502 0.328667 0.972358 O\n0.652287 0.332825 0.506231 O\n0.009145 0.009145 0.476166 O\n0.332825 0.652286 0.506231 O\n",
"nsites": 15,
"nelements": 4,
"elements": [
"Zr",
"Ti",
"Pb",
"O"
],
"chemical_system": "O-Pb-Ti-Zr",
"density": 7.7876950203717055,
"density_atomic": 0.07063682631159993,
"volume": 212.35382141647426,
"volume_molar": 8.52549735662607,
"formula_full": "Zr2 Ti1 Pb3 O9",
"formula_reduced": "Zr2Ti(PbO3)3",
"formula_anonymous": "AB2C3D9",
"energy_above_hull": 2.712944086222223,
"spacegroup": 8
},
{
"id": "jvasp-116128",
"created_at": "2022-09-04T14:38:41.864900Z",
"updated_at": "2022-09-04T14:38:41.864932Z",
"structure_string": "Li2 H2 O2\n1.0\n4.826323 -1.556036 0.506051\n4.826323 1.556036 0.506051\n-0.588098 0.000000 2.917085\nLi H O\n2 2 2\ndirect\n0.578289 0.578289 0.725152 Li\n0.285006 0.285006 -0.075896 Li\n0.886082 0.886082 0.533806 H\n0.061870 0.061870 0.197260 H\n0.904420 0.904420 0.863692 O\n0.152835 0.152835 0.378429 O\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Li",
"H",
"O"
],
"chemical_system": "H-Li-O",
"density": 1.7776844100946805,
"density_atomic": 0.1341069871416638,
"volume": 44.74039815436242,
"volume_molar": 4.4905495890669105,
"formula_full": "Li2 H2 O2",
"formula_reduced": "LiHO",
"formula_anonymous": "ABC",
"energy_above_hull": 1.1561145000000002,
"spacegroup": 8
},
{
"id": "jvasp-114473",
"created_at": "2022-09-04T14:38:41.901921Z",
"updated_at": "2022-09-04T14:38:41.901957Z",
"structure_string": "B1 Br3\n1.0\n5.428409 -0.652524 0.670618\n-3.309139 -5.368853 0.695796\n0.699941 -2.119825 -3.400733\nB Br\n1 3\ndirect\n0.941150 0.271559 0.074935 B\n0.942447 -0.031785 0.089379 Br\n0.633057 0.270763 0.355513 Br\n0.248739 0.575732 0.787946 Br\n",
"nsites": 4,
"nelements": 2,
"elements": [
"B",
"Br"
],
"chemical_system": "B-Br",
"density": 3.4276034592347093,
"density_atomic": 0.032957469786179486,
"volume": 121.36854030212525,
"volume_molar": 18.27246083837828,
"formula_full": "B1 Br3",
"formula_reduced": "BBr3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.9300812245833334,
"spacegroup": 8
},
{
"id": "jvasp-116508",
"created_at": "2022-09-04T14:38:41.930724Z",
"updated_at": "2022-09-04T14:38:41.930752Z",
"structure_string": "Li8 Mn2 Co4 O14\n1.0\n8.728320 -0.041345 3.856318\n8.277984 2.767717 3.856318\n0.191094 0.030635 9.485237\nLi Mn Co O\n8 2 4 14\ndirect\n0.342571 0.342573 0.076773 Li\n0.083425 0.083427 0.202242 Li\n0.786438 0.786443 0.353066 Li\n0.498133 0.498138 0.500170 Li\n0.215787 0.215790 0.649301 Li\n0.924708 0.924717 0.783910 Li\n0.650485 0.650492 0.933434 Li\n0.713852 0.713857 0.134852 Li\n0.999405 0.999411 0.000546 Mn\n0.145942 0.145944 0.422298 Mn\n0.569957 0.569963 0.715542 Co\n0.284698 0.284702 0.861712 Co\n0.429148 0.429151 0.285159 Co\n0.857830 0.857838 0.570891 Co\n0.818752 0.818760 0.951881 O\n0.469399 0.469405 0.897222 O\n0.184069 0.184070 0.023954 O\n0.900266 0.900272 0.178868 O\n0.608810 0.608814 0.337244 O\n0.330694 0.330698 0.465754 O\n0.041413 0.041416 0.613425 O\n0.758727 0.758734 0.749567 O\n0.243077 0.243080 0.269865 O\n0.956996 0.957003 0.387627 O\n0.670198 0.670204 0.539134 O\n0.386330 0.386335 0.673571 O\n0.098708 0.098712 0.819384 O\n0.530111 0.530114 0.102618 O\n",
"nsites": 28,
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"elements": [
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"Mn",
"Co",
"O"
],
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"density": 4.508109002255238,
"density_atomic": 0.12160013692974367,
"volume": 230.2628986032921,
"volume_molar": 4.952412811409401,
"formula_full": "Li8 Mn2 Co4 O14",
"formula_reduced": "Li4MnCo2O7",
"formula_anonymous": "AB2C4D7",
"energy_above_hull": 2.5554181100985223,
"spacegroup": 8
},
{
"id": "jvasp-116326",
"created_at": "2022-09-04T14:38:42.351422Z",
"updated_at": "2022-09-04T14:38:42.351447Z",
"structure_string": "Mg1 Ti1 O3\n1.0\n2.635892 -2.671050 -0.157483\n2.635892 2.671050 -0.157483\n-1.108711 0.000000 4.831353\nMg Ti O\n1 1 3\ndirect\n0.442895 0.442895 0.718231 Mg\n0.033676 0.033676 0.016818 Ti\n0.495827 -0.014073 0.888504 O\n-0.014073 0.495827 0.888504 O\n0.155034 0.155034 0.374593 O\n",
"nsites": 5,
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"elements": [
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"O"
],
"chemical_system": "Mg-O-Ti",
"density": 2.9739462093253017,
"density_atomic": 0.07451732081420577,
"volume": 67.0984939523861,
"volume_molar": 8.081531507305556,
"formula_full": "Mg1 Ti1 O3",
"formula_reduced": "MgTiO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.5650415766666663,
"spacegroup": 8
},
{
"id": "jvasp-114578",
"created_at": "2022-09-04T14:38:42.446843Z",
"updated_at": "2022-09-04T14:38:42.446868Z",
"structure_string": "Ba1 O3\n1.0\n4.264211 -0.930223 0.401143\n0.819642 -3.787508 -0.452435\n-0.563454 2.574482 -3.724310\nBa O\n1 3\ndirect\n0.324432 0.326054 0.600258 Ba\n0.015515 0.119562 0.901314 O\n0.625831 0.506261 0.291101 O\n0.838944 0.542467 0.117308 O\n",
"nsites": 4,
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"elements": [
"Ba",
"O"
],
"chemical_system": "Ba-O",
"density": 4.961072269077491,
"density_atomic": 0.06448400009333183,
"volume": 62.030891294127905,
"volume_molar": 9.33896897103742,
"formula_full": "Ba1 O3",
"formula_reduced": "BaO3",
"formula_anonymous": "AB3",
"energy_above_hull": 1.70793425,
"spacegroup": 8
}
]
}