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=volume_molar&page=164",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=volume_molar&page=162",
"results": [
{
"id": "jvasp-79507",
"created_at": "2022-09-04T14:37:14.653875Z",
"updated_at": "2022-09-04T14:37:14.653893Z",
"structure_string": "Na1 N3\n1.0\n3.303125 0.000000 0.000000\n0.000000 3.303125 0.000000\n-0.000000 0.000000 3.303125\nNa N\n1 3\ndirect\n0.000000 0.000000 0.000000 Na\n0.000000 0.500001 0.500001 N\n0.500001 0.500001 0.000000 N\n0.500001 0.000000 0.500001 N\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Na",
"N"
],
"chemical_system": "N-Na",
"density": 2.9953899151314323,
"density_atomic": 0.11099028443540788,
"volume": 36.03919046020508,
"volume_molar": 5.425826945695103,
"formula_full": "Na1 N3",
"formula_reduced": "NaN3",
"formula_anonymous": "AB3",
"energy_above_hull": 4.3123696875,
"spacegroup": 221
},
{
"id": "jvasp-119202",
"created_at": "2022-09-04T14:38:52.048902Z",
"updated_at": "2022-09-04T14:38:52.048930Z",
"structure_string": "Cr8 B12 Os4\n1.0\n2.915490 0.000000 0.000000\n0.000000 4.252037 0.031784\n0.000000 -0.008949 17.443303\nCr B Os\n8 12 4\ndirect\n-0.000000 0.890892 0.604325 Cr\n-0.000000 0.882774 0.274676 Cr\n0.500000 0.395309 0.892757 Cr\n0.500000 0.376499 0.563164 Cr\n0.500000 0.372870 0.235234 Cr\n0.500000 0.113928 0.718111 Cr\n0.500000 0.103625 0.389164 Cr\n0.500000 0.114211 0.064104 Cr\n0.500000 0.603207 0.012155 B\n0.500000 0.604599 0.343140 B\n0.500000 0.611038 0.670966 B\n0.500000 0.897023 0.182914 B\n0.500000 0.898685 0.511806 B\n0.500000 0.910249 0.840480 B\n-0.000000 0.388001 0.990392 B\n-0.000000 0.387095 0.651268 B\n-0.000000 0.108599 0.159964 B\n-0.000000 0.110644 0.488272 B\n-0.000000 0.128142 0.819036 B\n-0.000000 0.380342 0.323146 B\n-0.000000 0.601247 0.114359 Os\n-0.000000 0.617147 0.768232 Os\n-0.000000 0.603755 0.441381 Os\n-0.000000 0.900120 0.940949 Os\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Cr",
"B",
"Os"
],
"chemical_system": "B-Cr-Os",
"density": 10.033667000481318,
"density_atomic": 0.11098703777575887,
"volume": 216.2414682018114,
"volume_molar": 5.425985665251551,
"formula_full": "Cr8 B12 Os4",
"formula_reduced": "Cr2B3Os",
"formula_anonymous": "AB2C3",
"energy_above_hull": 5.314722925000001,
"spacegroup": 6
},
{
"id": "jvasp-112751",
"created_at": "2022-09-04T14:38:41.305704Z",
"updated_at": "2022-09-04T14:38:41.305732Z",
"structure_string": "Li6 Nb2 V4 O12\n1.0\n5.175595 0.002280 -2.455339\n2.118700 6.260053 1.055215\n0.097084 0.185265 6.690330\nLi Nb V O\n6 2 4 12\ndirect\n0.750010 0.333310 0.166675 Li\n0.250004 0.333335 0.166669 Li\n0.758208 0.982661 0.495240 Li\n0.240604 0.997845 0.491347 Li\n0.741783 0.683990 0.838128 Li\n0.259381 0.668822 0.841982 Li\n0.474378 0.342346 0.658657 Nb\n0.025618 0.324325 0.674668 Nb\n0.467237 0.008267 -0.005600 V\n0.455836 0.688246 0.312524 V\n0.044162 0.978425 0.020806 V\n0.032766 0.658405 0.338932 V\n0.876785 0.313889 0.913801 O\n0.641457 0.006675 0.781483 O\n0.113996 -0.013126 0.745258 O\n0.858544 0.659995 0.551846 O\n0.386006 0.679797 0.588070 O\n0.627992 0.687138 0.103734 O\n0.112210 0.664363 0.072958 O\n0.872010 0.979531 0.229598 O\n0.387792 0.002305 0.260368 O\n0.623212 0.352782 0.419528 O\n0.105297 0.330776 0.390174 O\n0.394701 0.335896 0.943155 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Li",
"Nb",
"V",
"O"
],
"chemical_system": "Li-Nb-O-V",
"density": 4.785604942821469,
"density_atomic": 0.1109837274702545,
"volume": 216.24791802413017,
"volume_molar": 5.426147505826053,
"formula_full": "Li6 Nb2 V4 O12",
"formula_reduced": "Li3NbV2O6",
"formula_anonymous": "AB2C3D6",
"energy_above_hull": 2.9218607333333333,
"spacegroup": 2
},
{
"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-99624",
"created_at": "2022-09-04T14:36:34.902598Z",
"updated_at": "2022-09-04T14:36:34.902626Z",
"structure_string": "Co4 H1\n1.0\n2.526100 -0.000000 0.000000\n-1.263050 2.187667 0.000000\n-0.000000 -0.000000 8.153047\nCo H\n4 1\ndirect\n0.333334 0.666668 0.864726 Co\n0.333334 0.666668 0.377941 Co\n0.666667 0.333334 0.135274 Co\n0.666667 0.333334 0.622059 Co\n0.000000 0.000000 0.000000 H\n",
"nsites": 5,
"nelements": 2,
"elements": [
"Co",
"H"
],
"chemical_system": "Co-H",
"density": 8.725098953219618,
"density_atomic": 0.11097324967875236,
"volume": 45.055903242214704,
"volume_molar": 5.426659827871147,
"formula_full": "Co4 H1",
"formula_reduced": "Co4H",
"formula_anonymous": "AB4",
"energy_above_hull": 3.35193872,
"spacegroup": 164
},
{
"id": "jvasp-44912",
"created_at": "2022-09-04T14:38:01.272392Z",
"updated_at": "2022-09-04T14:38:01.272408Z",
"structure_string": "Li2 Al2 Fe1 O6\n1.0\n4.888601 0.007493 0.005228\n2.441186 4.235456 -0.005228\n-0.833646 1.440141 4.787995\nLi Al Fe O\n2 2 1 6\ndirect\n0.503024 0.503023 0.500001 Li\n0.845526 0.845525 0.500001 Li\n0.328279 0.328279 -0.000000 Al\n0.664217 0.664216 -0.000000 Al\n-0.000820 -0.000820 0.000000 Fe\n0.069617 0.603450 0.211932 O\n0.258482 0.730229 0.790981 O\n0.603449 0.069616 0.788069 O\n0.408995 0.921227 0.206601 O\n0.730229 0.258481 0.209020 O\n0.921227 0.408993 0.793400 O\n",
"nsites": 11,
"nelements": 4,
"elements": [
"Li",
"Al",
"Fe",
"O"
],
"chemical_system": "Al-Fe-Li-O",
"density": 3.6802292710333004,
"density_atomic": 0.11097244076333665,
"volume": 99.12370967363825,
"volume_molar": 5.426699384618392,
"formula_full": "Li2 Al2 Fe1 O6",
"formula_reduced": "Li2Al2FeO6",
"formula_anonymous": "AB2C2D6",
"energy_above_hull": 2.264307463636363,
"spacegroup": 5
},
{
"id": "jvasp-42176",
"created_at": "2022-09-04T14:36:46.135373Z",
"updated_at": "2022-09-04T14:36:46.135398Z",
"structure_string": "Fe6 O11 F1\n1.0\n-4.372203 4.372203 2.850152\n-0.030299 4.351116 -2.864978\n-4.351116 0.030299 -2.864978\nFe O F\n6 11 1\ndirect\n0.833797 0.665715 0.665715 Fe\n0.668456 0.338119 0.338119 Fe\n0.331714 0.655650 0.655650 Fe\n0.163157 0.331861 0.331861 Fe\n0.513189 0.007631 0.007631 Fe\n0.988248 0.000743 0.000743 Fe\n-0.000217 0.302306 0.695852 O\n0.666092 0.642823 0.028171 O\n0.334581 0.969169 0.361228 O\n0.705486 0.104584 0.104584 O\n0.370099 0.432399 0.432399 O\n0.960870 0.233088 0.233088 O\n0.630034 0.565739 0.565739 O\n-0.000217 0.695852 0.302306 O\n0.334581 0.361228 0.969169 O\n0.666092 0.028171 0.642823 O\n0.035136 0.765945 0.765945 O\n0.298899 0.898982 0.898982 F\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Fe",
"O",
"F"
],
"chemical_system": "F-Fe-O",
"density": 5.426412573509714,
"density_atomic": 0.11097105333064355,
"volume": 162.204461972332,
"volume_molar": 5.4267672327636145,
"formula_full": "Fe6 O11 F1",
"formula_reduced": "Fe6O11F",
"formula_anonymous": "AB6C11",
"energy_above_hull": 3.198526210138889,
"spacegroup": 8
},
{
"id": "jvasp-29785",
"created_at": "2022-09-04T14:36:47.239406Z",
"updated_at": "2022-09-04T14:36:47.239431Z",
"structure_string": "Al2 H2 O4\n1.0\n1.415168 6.596592 -0.494825\n-1.552866 6.623193 -0.499383\n0.009764 -0.299196 3.698174\nAl H O\n2 2 4\ndirect\n0.691210 0.632655 0.212566 Al\n0.337960 0.299143 0.794698 Al\n0.080278 0.657613 0.334812 H\n-0.001070 0.971550 0.949096 H\n0.243637 0.380592 0.289457 O\n0.712147 0.727145 0.737673 O\n0.115166 0.072359 0.166456 O\n0.922988 0.895805 0.833588 O\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Al",
"H",
"O"
],
"chemical_system": "Al-H-O",
"density": 2.7630364888721006,
"density_atomic": 0.11095097279056901,
"volume": 72.10391940502221,
"volume_molar": 5.42774940005924,
"formula_full": "Al2 H2 O4",
"formula_reduced": "AlHO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.69301495,
"spacegroup": 1
},
{
"id": "jvasp-104140",
"created_at": "2022-09-04T14:37:01.120378Z",
"updated_at": "2022-09-04T14:37:01.120402Z",
"structure_string": "H6 C8 O2\n1.0\n3.759549 0.072909 0.322393\n0.812703 5.306128 1.918829\n0.116683 0.176735 7.322051\nH C O\n6 8 2\ndirect\n0.244301 0.434852 0.713104 H\n0.679621 0.434940 0.953433 H\n0.556076 0.706858 0.028065 H\n0.831869 0.370511 0.495681 H\n0.691941 0.094002 0.836763 H\n0.385602 0.711286 0.370393 H\n0.780543 0.586390 0.981361 C\n0.130914 0.208805 0.199618 C\n0.851857 0.012256 0.735529 C\n0.929382 0.166554 0.545113 C\n0.955253 0.747398 0.795730 C\n0.116439 0.057925 0.411958 C\n0.162996 0.640911 0.665892 C\n0.243043 0.794221 0.475435 C\n-0.005879 0.460829 0.159278 O\n0.230680 0.117292 0.070993 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"H",
"C",
"O"
],
"chemical_system": "C-H-O",
"density": 1.5443951905431124,
"density_atomic": 0.11094220566220236,
"volume": 144.21923473125202,
"volume_molar": 5.428178324069252,
"formula_full": "H6 C8 O2",
"formula_reduced": "H3C4O",
"formula_anonymous": "AB3C4",
"energy_above_hull": 4.9625129375,
"spacegroup": 1
},
{
"id": "jvasp-113442",
"created_at": "2022-09-04T14:38:47.819774Z",
"updated_at": "2022-09-04T14:38:47.819796Z",
"structure_string": "B1 O2\n1.0\n4.049678 0.000000 -0.096506\n0.000000 2.811421 0.000000\n0.056902 0.000000 2.374106\nB O\n1 2\ndirect\n0.744711 0.000000 -0.033346 B\n-0.420491 0.000000 -0.533303 O\n0.075781 0.000000 -0.033352 O\n",
"nsites": 3,
"nelements": 2,
"elements": [
"B",
"O"
],
"chemical_system": "B-O",
"density": 2.6284385655708564,
"density_atomic": 0.11092432358724143,
"volume": 27.04546580029866,
"volume_molar": 5.429053398972153,
"formula_full": "B1 O2",
"formula_reduced": "BO2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.3237998611111115,
"spacegroup": 25
},
{
"id": "jvasp-48724",
"created_at": "2022-09-04T14:35:47.557163Z",
"updated_at": "2022-09-04T14:35:47.557182Z",
"structure_string": "Li2 Ti2 O4\n1.0\n2.868045 -0.000152 0.000071\n-1.433931 2.483934 0.000062\n-0.000042 -0.000236 10.124740\nLi Ti O\n2 2 4\ndirect\n0.000151 0.999516 0.000040 Li\n0.000161 0.999474 0.500053 Li\n0.667029 0.333114 0.750048 Ti\n0.333264 0.665953 0.250046 Ti\n0.666608 0.332635 0.128373 O\n0.666613 0.332641 0.371719 O\n0.333684 0.666423 0.871723 O\n0.333679 0.666427 0.628374 O\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Li",
"Ti",
"O"
],
"chemical_system": "Li-O-Ti",
"density": 3.9970191969303484,
"density_atomic": 0.11091579107929338,
"volume": 72.12679026272123,
"volume_molar": 5.429471044113808,
"formula_full": "Li2 Ti2 O4",
"formula_reduced": "LiTiO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.625563833333333,
"spacegroup": 194
},
{
"id": "jvasp-47436",
"created_at": "2022-09-04T14:38:08.380694Z",
"updated_at": "2022-09-04T14:38:08.380713Z",
"structure_string": "Li8 Mn4 O8 F4\n1.0\n5.169110 0.000000 0.122195\n-2.584555 4.366385 -0.061098\n-1.502272 0.000000 9.552390\nLi Mn O F\n8 4 8 4\ndirect\n0.195124 0.870368 0.507405 Li\n0.000001 0.500001 -0.000000 Li\n0.069083 0.138167 0.250000 Li\n0.675245 0.870368 0.992595 Li\n0.500001 0.500001 0.500000 Li\n0.324757 0.129633 0.007405 Li\n0.930919 0.861834 0.750000 Li\n0.804878 0.129633 0.492595 Li\n0.579207 0.158413 0.750000 Mn\n0.744514 0.489027 0.250000 Mn\n0.255488 0.510974 0.750000 Mn\n0.420795 0.841588 0.250000 Mn\n0.059833 0.803639 0.146796 O\n0.298632 0.824900 0.868862 O\n0.526270 0.824900 0.631138 O\n0.256194 0.196362 0.646796 O\n0.743808 0.803639 0.353204 O\n0.473732 0.175101 0.368862 O\n0.701370 0.175101 0.131139 O\n0.940169 0.196362 0.853204 O\n0.347298 0.474620 0.114076 F\n0.127323 0.474620 0.385924 F\n0.652704 0.525381 0.885925 F\n0.872679 0.525381 0.614076 F\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Li",
"Mn",
"O",
"F"
],
"chemical_system": "F-Li-Mn-O",
"density": 3.677621264006634,
"density_atomic": 0.11090466483340912,
"volume": 216.40207863258604,
"volume_molar": 5.430015742841757,
"formula_full": "Li8 Mn4 O8 F4",
"formula_reduced": "Li2MnO2F",
"formula_anonymous": "ABC2D2",
"energy_above_hull": 1.5222007539798854,
"spacegroup": 15
}
]
}