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=nsites&page=3593",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=nsites&page=3591",
"results": [
{
"id": "jvasp-53071",
"created_at": "2022-09-04T14:35:43.501347Z",
"updated_at": "2022-09-04T14:35:43.501370Z",
"structure_string": "Mg2 In4 O8\n1.0\n5.458374 0.007736 3.207258\n1.826752 5.143625 3.207258\n0.000000 0.000000 6.414517\nMg In O\n2 4 8\ndirect\n0.124999 0.625001 0.625000 Mg\n0.624999 0.125001 0.625001 Mg\n0.993837 0.993840 0.006162 In\n0.256161 0.256162 0.243839 In\n0.624999 0.625001 0.125000 In\n0.624999 0.625001 0.625001 In\n0.381808 0.381809 0.393505 O\n0.381808 0.381809 0.842878 O\n0.375774 0.848435 0.387896 O\n0.401565 0.874226 0.862106 O\n0.848433 0.375775 0.387896 O\n0.874224 0.401567 0.862106 O\n0.868190 0.868193 0.407123 O\n0.868190 0.868193 0.856496 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Mg",
"In",
"O"
],
"chemical_system": "In-Mg-O",
"density": 5.866032380651718,
"density_atomic": 0.07777681256018407,
"volume": 180.00223381700985,
"volume_molar": 7.742848494003325,
"formula_full": "Mg2 In4 O8",
"formula_reduced": "MgIn2O4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 0.977253284285714,
"spacegroup": 74
},
{
"id": "jvasp-86274",
"created_at": "2022-09-04T14:35:44.685162Z",
"updated_at": "2022-09-04T14:35:44.685184Z",
"structure_string": "Al12 Fe2\n1.0\n4.935947 0.007562 -0.000000\n-0.682079 4.888599 -0.000000\n0.000000 0.000000 8.841845\nAl Fe\n12 2\ndirect\n0.677168 0.322826 0.499998 Al\n0.144524 0.144524 0.100022 Al\n0.677174 0.322832 -0.000001 Al\n0.855482 0.855481 0.899980 Al\n0.030417 0.393550 0.750001 Al\n0.322832 0.677174 -0.000001 Al\n0.144518 0.144518 0.399981 Al\n0.969583 0.606450 0.250002 Al\n0.606450 0.969583 0.250002 Al\n0.393550 0.030417 0.750001 Al\n0.855476 0.855476 0.600022 Al\n0.322826 0.677168 0.499998 Al\n0.458834 0.458834 0.249998 Fe\n0.541166 0.541166 0.749997 Fe\n",
"nsites": 14,
"nelements": 2,
"elements": [
"Al",
"Fe"
],
"chemical_system": "Al-Fe",
"density": 3.3885600294830187,
"density_atomic": 0.06560507151240222,
"volume": 213.3981364131794,
"volume_molar": 9.179382967156057,
"formula_full": "Al12 Fe2",
"formula_reduced": "Al6Fe",
"formula_anonymous": "AB6",
"energy_above_hull": 2.180570328571429,
"spacegroup": 63
},
{
"id": "jvasp-85411",
"created_at": "2022-09-04T14:35:41.776800Z",
"updated_at": "2022-09-04T14:35:41.776827Z",
"structure_string": "Eu2 Mo2 Cl2 O8\n1.0\n6.167805 0.000993 1.504621\n1.789394 5.902533 1.504621\n0.012356 0.009168 6.910233\nEu Mo Cl O\n2 2 2 8\ndirect\n0.221858 0.221858 0.890096 Eu\n0.778141 0.778141 0.109904 Eu\n0.362558 0.362558 0.269423 Mo\n0.637442 0.637442 0.730577 Mo\n0.990288 0.990288 0.760815 Cl\n0.009712 0.009712 0.239184 Cl\n0.114627 0.489605 0.152509 O\n0.460027 0.460027 0.795149 O\n0.489605 0.114627 0.152510 O\n0.294135 0.294135 0.532883 O\n0.885372 0.510394 0.847490 O\n0.510394 0.885372 0.847490 O\n0.705864 0.705864 0.467117 O\n0.539972 0.539972 0.204851 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Eu",
"Mo",
"Cl",
"O"
],
"chemical_system": "Cl-Eu-Mo-O",
"density": 4.588866044300459,
"density_atomic": 0.05569051937120807,
"volume": 251.3892877651628,
"volume_molar": 10.813583403413974,
"formula_full": "Eu2 Mo2 Cl2 O8",
"formula_reduced": "EuMoClO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.427043423928572,
"spacegroup": 12
},
{
"id": "jvasp-42551",
"created_at": "2022-09-04T14:35:43.446400Z",
"updated_at": "2022-09-04T14:35:43.446421Z",
"structure_string": "Ni6 O8\n1.0\n-2.900192 0.000830 -0.000984\n-0.001519 -4.995585 0.030871\n1.447131 0.294859 9.470904\nNi O\n6 8\ndirect\n0.000000 0.000000 0.000000 Ni\n0.374724 0.136276 0.749488 Ni\n0.742521 0.252748 0.485094 Ni\n0.500000 0.500000 0.000000 Ni\n0.257478 0.747250 0.514906 Ni\n0.625276 0.863723 0.250512 Ni\n0.192088 0.047325 0.384194 O\n0.553150 0.153221 0.106296 O\n0.941300 0.299042 0.882630 O\n0.299863 0.398162 0.599756 O\n0.700137 0.601837 0.400244 O\n0.058700 0.700957 0.117370 O\n0.446850 0.846778 0.893704 O\n0.807912 0.952674 0.615806 O\n",
"nsites": 14,
"nelements": 2,
"elements": [
"Ni",
"O"
],
"chemical_system": "Ni-O",
"density": 5.809855968364088,
"density_atomic": 0.10201459407839447,
"volume": 137.2352664486565,
"volume_molar": 5.903214941356533,
"formula_full": "Ni6 O8",
"formula_reduced": "Ni3O4",
"formula_anonymous": "A3B4",
"energy_above_hull": 1.9570301714285716,
"spacegroup": 12
},
{
"id": "jvasp-46464",
"created_at": "2022-09-04T14:35:43.322485Z",
"updated_at": "2022-09-04T14:35:43.322515Z",
"structure_string": "Li2 Mn3 Nb1 O8\n1.0\n5.868016 0.021833 0.015439\n2.952917 5.070935 0.015439\n2.952917 1.704867 4.775777\nLi Mn Nb O\n2 3 1 8\ndirect\n0.123809 0.123808 0.123809 Li\n0.876192 0.876192 0.876193 Li\n0.000000 0.500001 0.500000 Mn\n0.500000 -0.000000 0.500000 Mn\n0.500000 0.500000 0.000000 Mn\n0.500000 0.500000 0.500001 Nb\n0.264244 0.264244 0.264244 O\n0.253057 0.253057 0.721895 O\n0.253057 0.721895 0.253057 O\n0.721895 0.253056 0.253057 O\n0.278105 0.746944 0.746944 O\n0.746944 0.278105 0.746944 O\n0.746944 0.746943 0.278106 O\n0.735757 0.735757 0.735757 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Nb",
"O"
],
"chemical_system": "Li-Mn-Nb-O",
"density": 4.689555860534653,
"density_atomic": 0.09894358806655089,
"volume": 141.49476761024067,
"volume_molar": 6.086438623945415,
"formula_full": "Li2 Mn3 Nb1 O8",
"formula_reduced": "Li2Mn3NbO8",
"formula_anonymous": "AB2C3D8",
"energy_above_hull": 3.281081366009852,
"spacegroup": 166
},
{
"id": "jvasp-85971",
"created_at": "2022-09-04T14:35:41.678335Z",
"updated_at": "2022-09-04T14:35:41.678353Z",
"structure_string": "Re2 Pb2 Cl2 O8\n1.0\n4.443643 0.000000 0.000000\n0.000000 5.754104 0.000000\n0.000000 0.000000 9.458390\nRe Pb Cl O\n2 2 2 8\ndirect\n0.245928 0.000000 0.130013 Re\n0.745928 0.500000 0.869987 Re\n0.710351 0.500000 0.324173 Pb\n0.210351 0.000000 0.675827 Pb\n0.666544 0.000000 0.460676 Cl\n0.166544 0.500000 0.539324 Cl\n0.640071 0.245313 0.778044 O\n0.140071 0.745312 0.221956 O\n0.629001 0.500000 0.047386 O\n0.637343 0.000000 0.127650 O\n0.640071 0.754687 0.778044 O\n0.140071 0.254687 0.221956 O\n0.129001 0.000000 0.952614 O\n0.137344 0.500000 0.872350 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Re",
"Pb",
"Cl",
"O"
],
"chemical_system": "Cl-O-Pb-Re",
"density": 6.768095308720218,
"density_atomic": 0.057888720490879786,
"volume": 241.8433138836721,
"volume_molar": 10.402960557659542,
"formula_full": "Re2 Pb2 Cl2 O8",
"formula_reduced": "RePbClO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.530746698214286,
"spacegroup": 31
},
{
"id": "jvasp-87039",
"created_at": "2022-09-04T14:35:42.820666Z",
"updated_at": "2022-09-04T14:35:42.820698Z",
"structure_string": "Ti5 Tl1 Se8\n1.0\n3.518450 0.000000 -0.671603\n-0.419659 8.902946 -2.198543\n0.005971 -0.008909 9.583449\nTi Tl Se\n5 1 8\ndirect\n0.500000 0.500000 0.000000 Ti\n0.153273 0.496029 0.306547 Ti\n0.208631 0.849783 0.417263 Ti\n0.791368 0.150217 0.582738 Ti\n0.846726 0.503972 0.693454 Ti\n0.000000 0.000000 0.000000 Tl\n0.926754 0.322846 0.853508 Se\n0.339408 -0.000279 0.678817 Se\n0.660591 0.000279 0.321183 Se\n0.741867 0.662485 0.483737 Se\n0.258132 0.337516 0.516264 Se\n0.413698 0.681795 0.827398 Se\n0.586301 0.318206 0.172603 Se\n0.073247 0.677154 0.146493 Se\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Ti",
"Tl",
"Se"
],
"chemical_system": "Se-Ti-Tl",
"density": 5.949263011784148,
"density_atomic": 0.04664152714640665,
"volume": 300.16169830919836,
"volume_molar": 12.911542842704618,
"formula_full": "Ti5 Tl1 Se8",
"formula_reduced": "Ti5TlSe8",
"formula_anonymous": "AB5C8",
"energy_above_hull": 2.533424371428571,
"spacegroup": 12
},
{
"id": "jvasp-86982",
"created_at": "2022-09-04T14:35:43.813154Z",
"updated_at": "2022-09-04T14:35:43.813179Z",
"structure_string": "Rb1 Cr5 S8\n1.0\n3.416918 -0.000000 -0.661352\n-0.408634 8.444596 -2.111237\n-0.040848 0.013315 8.946506\nRb Cr S\n1 5 8\ndirect\n0.500001 0.500000 0.000000 Rb\n0.295814 0.665256 0.591626 Cr\n0.704188 0.334745 0.408374 Cr\n0.345096 0.024567 0.690191 Cr\n0.654905 0.975434 0.309809 Cr\n0.000000 0.000000 0.000000 Cr\n0.237814 0.154263 0.475627 S\n0.762187 0.845738 0.524374 S\n0.170094 0.488411 0.340186 S\n0.829907 0.511590 0.659814 S\n0.086264 0.824221 0.172525 S\n0.913738 0.175780 0.827475 S\n0.426180 0.845100 0.852359 S\n0.573821 0.154901 0.147641 S\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Rb",
"Cr",
"S"
],
"chemical_system": "Cr-Rb-S",
"density": 3.8741107102641505,
"density_atomic": 0.05425969446420271,
"volume": 258.0184082908237,
"volume_molar": 11.098736952846368,
"formula_full": "Rb1 Cr5 S8",
"formula_reduced": "RbCr5S8",
"formula_anonymous": "AB5C8",
"energy_above_hull": 3.305161928571429,
"spacegroup": 12
},
{
"id": "jvasp-48956",
"created_at": "2022-09-04T14:35:44.592873Z",
"updated_at": "2022-09-04T14:35:44.592900Z",
"structure_string": "Li2 V4 O6 F2\n1.0\n5.928670 0.053396 0.049155\n3.007439 5.110220 0.009338\n2.934236 1.734491 4.848143\nLi V O F\n2 4 6 2\ndirect\n0.503155 0.003152 0.991788 Li\n0.866765 0.366749 0.384503 Li\n0.130153 0.630108 0.611722 V\n0.993648 0.025235 0.987397 V\n0.499339 -0.000712 0.519140 V\n0.525209 0.493698 0.987390 V\n0.737840 0.748054 0.757087 O\n0.744220 0.244329 0.778476 O\n0.734775 0.234723 0.250617 O\n0.248081 0.237778 0.757034 O\n0.257254 0.757322 0.754209 O\n0.248305 0.748287 0.225075 O\n0.742987 0.768275 0.247789 F\n0.268277 0.243009 0.247760 F\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Li",
"V",
"O",
"F"
],
"chemical_system": "F-Li-O-V",
"density": 4.012340658030526,
"density_atomic": 0.09620042163327489,
"volume": 145.52950769144573,
"volume_molar": 6.2599941432242066,
"formula_full": "Li2 V4 O6 F2",
"formula_reduced": "LiV2O3F",
"formula_anonymous": "ABC2D3",
"energy_above_hull": 2.3264313117857145,
"spacegroup": 8
},
{
"id": "jvasp-13891",
"created_at": "2022-09-04T14:35:42.077736Z",
"updated_at": "2022-09-04T14:35:42.077773Z",
"structure_string": "Yb2 Nd4 S8\n1.0\n4.314775 -0.000000 0.000000\n-2.157387 7.547912 -0.000000\n0.000000 -0.000000 11.850962\nYb Nd S\n2 4 8\ndirect\n0.069900 0.139800 0.750000 Yb\n0.930101 0.860199 0.250000 Yb\n0.078757 0.658500 0.889065 Nd\n0.579742 0.658500 0.610935 Nd\n0.921243 0.341500 0.389065 Nd\n0.420258 0.341500 0.110935 Nd\n0.194229 0.878596 0.629406 S\n0.541446 0.602811 0.378852 S\n0.938636 0.397188 0.621148 S\n0.458555 0.397188 0.878852 S\n0.684367 0.878596 0.870594 S\n0.805771 0.121404 0.129406 S\n0.315633 0.121404 0.370594 S\n0.061364 0.602811 0.121148 S\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Yb",
"Nd",
"S"
],
"chemical_system": "Nd-S-Yb",
"density": 5.074970151174113,
"density_atomic": 0.0362734988226392,
"volume": 385.9567026730338,
"volume_molar": 16.602039934017704,
"formula_full": "Yb2 Nd4 S8",
"formula_reduced": "Yb(NdS2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.3570305285714284,
"spacegroup": 20
},
{
"id": "jvasp-85748",
"created_at": "2022-09-04T14:35:42.073385Z",
"updated_at": "2022-09-04T14:35:42.073412Z",
"structure_string": "Yb2 Mo2 Cl2 O8\n1.0\n6.405474 0.455401 1.471731\n2.307677 5.992672 1.471731\n-0.071048 -0.052578 6.892854\nYb Mo Cl O\n2 2 2 8\ndirect\n0.279144 0.279144 0.861416 Yb\n0.720856 0.720855 0.138583 Yb\n0.353612 0.353611 0.278902 Mo\n0.646388 0.646388 0.721097 Mo\n-0.022924 -0.022924 0.868078 Cl\n0.022924 0.022924 0.131922 Cl\n0.504582 0.108939 0.146882 O\n0.485014 0.485014 0.752649 O\n0.108939 0.504582 0.146882 O\n0.514986 0.514986 0.247351 O\n0.495418 0.891060 0.853117 O\n0.891060 0.495418 0.853117 O\n0.274138 0.274137 0.533520 O\n0.725862 0.725862 0.466479 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Yb",
"Mo",
"Cl",
"O"
],
"chemical_system": "Cl-Mo-O-Yb",
"density": 4.7381641473584715,
"density_atomic": 0.05421298886267092,
"volume": 258.2406964401826,
"volume_molar": 11.108298742308648,
"formula_full": "Yb2 Mo2 Cl2 O8",
"formula_reduced": "YbMoClO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.099323523928572,
"spacegroup": 12
},
{
"id": "jvasp-48187",
"created_at": "2022-09-04T14:35:44.370348Z",
"updated_at": "2022-09-04T14:35:44.370369Z",
"structure_string": "Li2 Co2 Ge2 O8\n1.0\n0.000000 5.104912 0.023753\n5.370714 0.000000 0.000000\n0.000000 -5.117188 -6.597528\nLi Co Ge O\n2 2 2 8\ndirect\n0.503199 0.833555 0.003092 Li\n0.503199 0.166444 0.503093 Li\n0.995808 0.163887 0.999490 Co\n0.995808 0.836112 0.499490 Co\n0.749530 0.671476 0.753379 Ge\n0.749530 0.328523 0.253379 Ge\n0.393047 0.726685 0.742882 O\n0.088909 0.163669 0.470618 O\n0.832651 0.651438 0.263380 O\n0.670749 0.176544 0.037030 O\n0.393047 0.273315 0.242882 O\n0.088909 0.836331 0.970618 O\n0.832651 0.348562 0.763380 O\n0.670749 0.823455 0.537030 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Li",
"Co",
"Ge",
"O"
],
"chemical_system": "Co-Ge-Li-O",
"density": 3.73162563958752,
"density_atomic": 0.0776777590218433,
"volume": 180.23177002394138,
"volume_molar": 7.752722060772312,
"formula_full": "Li2 Co2 Ge2 O8",
"formula_reduced": "LiCoGeO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.1333844071428567,
"spacegroup": 7
}
]
}