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=nelements&page=4205",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=nelements&page=4203",
"results": [
{
"id": "jvasp-47734",
"created_at": "2022-09-04T14:38:34.100098Z",
"updated_at": "2022-09-04T14:38:34.100119Z",
"structure_string": "Li2 Co2 Si2 O8\n1.0\n1.727488 4.398083 2.370389\n6.884505 -3.757771 2.370389\n1.727488 4.398083 -2.370389\nLi Co Si O\n2 2 2 8\ndirect\n0.779175 0.131071 0.576222 Li\n-0.054849 0.631071 0.910247 Li\n0.294755 0.492997 0.034480 Co\n0.041483 0.992998 0.787753 Co\n0.431513 0.253394 0.358317 Si\n0.604925 0.753394 0.684905 Si\n0.458024 0.300459 0.056449 O\n0.786448 0.154008 0.220305 O\n0.181851 0.123077 0.500392 O\n0.295517 0.430097 0.663971 O\n0.255991 0.800459 0.758483 O\n0.566297 0.654009 0.940456 O\n0.877316 0.623077 0.304928 O\n0.733874 0.930098 0.725614 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Li",
"Co",
"Si",
"O"
],
"chemical_system": "Co-Li-O-Si",
"density": 3.009359085703707,
"density_atomic": 0.08031252252343796,
"volume": 174.31901726053144,
"volume_molar": 7.4983832791984995,
"formula_full": "Li2 Co2 Si2 O8",
"formula_reduced": "LiCoSiO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.4456305,
"spacegroup": 9
},
{
"id": "jvasp-28956",
"created_at": "2022-09-04T14:38:34.798590Z",
"updated_at": "2022-09-04T14:38:34.798610Z",
"structure_string": "Mo2 W2 Se6 S2\n1.0\n3.291174 0.000000 0.000000\n-1.645587 2.850241 -0.000017\n-0.000002 -0.000203 35.002443\nMo W Se S\n2 2 6 2\ndirect\n0.333341 0.666682 0.468623 Mo\n0.666664 0.333331 0.279574 Mo\n0.333323 0.666649 0.096597 W\n0.666668 0.333338 0.658127 W\n0.333330 0.666663 0.327745 Se\n0.333339 0.666680 0.706527 Se\n0.666671 0.333342 0.420447 Se\n0.666677 0.333354 0.516791 Se\n0.333333 0.666668 0.231414 Se\n0.333332 0.666665 0.609664 Se\n0.666649 0.333300 0.052560 S\n0.666664 0.333330 0.140677 S\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Mo",
"W",
"Se",
"S"
],
"chemical_system": "Mo-S-Se-W",
"density": 5.5501287363815255,
"density_atomic": 0.03654689306828847,
"volume": 328.3452844425873,
"volume_molar": 16.477846006629157,
"formula_full": "Mo2 W2 Se6 S2",
"formula_reduced": "MoWSe3S",
"formula_anonymous": "ABCD3",
"energy_above_hull": 3.591847666666666,
"spacegroup": 156
},
{
"id": "jvasp-57186",
"created_at": "2022-09-04T14:38:33.906206Z",
"updated_at": "2022-09-04T14:38:33.906220Z",
"structure_string": "Na2 Mg2 B2 O6\n1.0\n4.946574 0.000000 0.883802\n2.473287 4.429226 0.441901\n0.044496 0.000000 5.522599\nNa Mg B O\n2 2 2 6\ndirect\n0.334314 0.331374 0.250000 Na\n0.665686 0.668627 0.750000 Na\n0.000000 0.000000 0.000000 Mg\n0.000000 0.000000 0.500000 Mg\n0.668069 0.663863 0.250000 B\n0.331931 0.336138 0.750000 B\n0.187178 0.181408 0.697929 O\n0.824427 0.351144 0.250000 O\n0.631414 0.181408 0.802071 O\n0.368586 0.818593 0.197929 O\n0.175573 0.648857 0.750000 O\n0.812822 0.818593 0.302071 O\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Na",
"Mg",
"B",
"O"
],
"chemical_system": "B-Mg-Na-O",
"density": 2.916490081351305,
"density_atomic": 0.09931869987688542,
"volume": 120.82316839502624,
"volume_molar": 6.063451059533595,
"formula_full": "Na2 Mg2 B2 O6",
"formula_reduced": "NaMgBO3",
"formula_anonymous": "ABCD3",
"energy_above_hull": 1.438780188888889,
"spacegroup": 15
},
{
"id": "jvasp-28810",
"created_at": "2022-09-04T14:38:34.820245Z",
"updated_at": "2022-09-04T14:38:34.820261Z",
"structure_string": "Te2 Mo3 W1 Se6\n1.0\n3.384755 0.000070 -0.006017\n-1.692316 2.931435 0.014251\n-0.060945 0.131375 33.553630\nTe Mo W Se\n2 3 1 6\ndirect\n0.333900 0.661579 0.733063 Te\n0.334919 0.672203 0.620809 Te\n0.333775 0.664103 0.080340 Mo\n0.666010 0.335225 0.275505 Mo\n0.667739 0.333532 0.676989 Mo\n0.332470 0.667125 0.470089 W\n0.332238 0.664115 0.324797 Se\n0.667550 0.335315 0.031076 Se\n0.666302 0.338395 0.420576 Se\n0.666660 0.326191 0.129649 Se\n0.665313 0.329190 0.519655 Se\n0.333118 0.673024 0.226200 Se\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Te",
"Mo",
"W",
"Se"
],
"chemical_system": "Mo-Se-Te-W",
"density": 5.988394341200843,
"density_atomic": 0.036044330757336915,
"volume": 332.9233681931345,
"volume_molar": 16.707594879603022,
"formula_full": "Te2 Mo3 W1 Se6",
"formula_reduced": "Te2Mo3WSe6",
"formula_anonymous": "AB2C3D6",
"energy_above_hull": 3.626057786111111,
"spacegroup": 156
},
{
"id": "jvasp-53292",
"created_at": "2022-09-04T14:38:34.804381Z",
"updated_at": "2022-09-04T14:38:34.804402Z",
"structure_string": "Ag2 Hg7 P8 I6\n1.0\n8.403794 0.003253 1.383295\n1.196005 8.474076 1.507388\n0.017036 0.000602 8.689782\nAg Hg P I\n2 7 8 6\ndirect\n0.500000 -0.000000 0.500000 Ag\n0.500000 0.500000 -0.000000 Ag\n0.235012 0.730640 0.366275 Hg\n0.869263 0.728879 0.728878 Hg\n0.764989 0.269360 0.633724 Hg\n0.130737 0.271121 0.271121 Hg\n0.764989 0.633724 0.269360 Hg\n0.000000 0.000000 0.000000 Hg\n0.235012 0.366276 0.730639 Hg\n0.741378 0.915239 0.915238 P\n0.577890 0.078273 0.761549 P\n0.422111 0.238450 0.921726 P\n0.577890 0.761550 0.078273 P\n0.065596 0.562140 0.562139 P\n0.934404 0.437860 0.437860 P\n0.422111 0.921727 0.238450 P\n0.258622 0.084761 0.084761 P\n0.150767 0.034763 0.639181 I\n0.849234 0.360818 0.965236 I\n0.533756 0.646466 0.646466 I\n0.150767 0.639182 0.034763 I\n0.849234 0.965237 0.360818 I\n0.466245 0.353534 0.353534 I\n",
"nsites": 23,
"nelements": 4,
"elements": [
"Ag",
"Hg",
"P",
"I"
],
"chemical_system": "Ag-Hg-I-P",
"density": 7.057409413708405,
"density_atomic": 0.03718088319475432,
"volume": 618.5974625596027,
"volume_molar": 16.19687388396851,
"formula_full": "Ag2 Hg7 P8 I6",
"formula_reduced": "Ag2Hg7(P4I3)2",
"formula_anonymous": "A2B6C7D8",
"energy_above_hull": 0.5252338421739131,
"spacegroup": 12
},
{
"id": "jvasp-57139",
"created_at": "2022-09-04T14:38:34.790795Z",
"updated_at": "2022-09-04T14:38:34.790813Z",
"structure_string": "Sr1 Li2 Nb2 O7\n1.0\n3.921675 0.002700 -0.841273\n-0.182918 3.917409 -0.841273\n-0.018220 -0.019103 9.477598\nSr Li Nb O\n1 2 2 7\ndirect\n0.000000 0.000000 0.000000 Sr\n0.250018 0.749982 0.500000 Li\n0.749980 0.250019 0.500000 Li\n0.383028 0.383029 0.766130 Nb\n0.616970 0.616972 0.233871 Nb\n0.106080 0.606072 0.212151 O\n0.606071 0.106081 0.212151 O\n0.722154 0.722155 0.444305 O\n0.393927 0.893920 0.787850 O\n0.277844 0.277846 0.555695 O\n0.499999 0.500000 0.000000 O\n0.893918 0.393929 0.787850 O\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Sr",
"Li",
"Nb",
"O"
],
"chemical_system": "Li-Nb-O-Sr",
"density": 4.557776391667671,
"density_atomic": 0.08248488392407025,
"volume": 145.48120127133055,
"volume_molar": 7.30090226658203,
"formula_full": "Sr1 Li2 Nb2 O7",
"formula_reduced": "SrLi2Nb2O7",
"formula_anonymous": "AB2C2D7",
"energy_above_hull": 2.6812641341666668,
"spacegroup": 139
},
{
"id": "jvasp-9293",
"created_at": "2022-09-04T14:38:34.773115Z",
"updated_at": "2022-09-04T14:38:34.773133Z",
"structure_string": "Ba1 Mg1 Sn4 O8\n1.0\n2.978548 -5.158995 0.000000\n2.978548 5.158995 0.000000\n-0.000000 -0.000000 6.934111\nBa Mg Sn O\n1 1 4 8\ndirect\n0.000000 0.000000 0.000000 Ba\n0.000000 0.000000 0.500000 Mg\n0.333333 0.666668 0.708186 Sn\n0.666668 0.333333 0.708186 Sn\n0.333333 0.666668 0.291814 Sn\n0.666668 0.333333 0.291814 Sn\n0.287700 0.287700 0.693623 O\n0.712301 -0.000000 0.693623 O\n-0.000000 0.712301 0.693623 O\n0.712301 0.712301 0.306377 O\n-0.000000 0.287700 0.306377 O\n0.287700 -0.000000 0.306377 O\n0.333333 0.666668 0.000000 O\n0.666668 0.333333 0.000000 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Ba",
"Mg",
"Sn",
"O"
],
"chemical_system": "Ba-Mg-O-Sn",
"density": 5.956860894995605,
"density_atomic": 0.06569579013163693,
"volume": 213.1034571918188,
"volume_molar": 9.166707254655478,
"formula_full": "Ba1 Mg1 Sn4 O8",
"formula_reduced": "BaMg(SnO2)4",
"formula_anonymous": "ABC4D8",
"energy_above_hull": 1.6207585585714284,
"spacegroup": 162
},
{
"id": "jvasp-112623",
"created_at": "2022-09-04T14:38:41.872978Z",
"updated_at": "2022-09-04T14:38:41.872993Z",
"structure_string": "Ti1 Nb6 Tl2 O18\n1.0\n7.662107 -0.003401 0.009056\n3.833983 6.633889 0.009056\n-0.009861 -0.005687 8.299046\nTi Nb Tl O\n1 6 2 18\ndirect\n0.997173 0.002827 0.500001 Ti\n0.332308 0.835253 0.847313 Nb\n0.829631 0.337928 0.847307 Nb\n0.829627 0.835251 0.847306 Nb\n0.662072 0.170370 0.152694 Nb\n0.164747 0.667692 0.152689 Nb\n0.164748 0.170373 0.152695 Nb\n0.330509 0.336071 0.713494 Tl\n0.663929 0.669491 0.286508 Tl\n0.756572 0.123113 0.363814 O\n0.283759 0.859529 0.102180 O\n0.140482 0.146124 0.897808 O\n0.140471 0.716241 0.897822 O\n0.710622 0.146099 0.897804 O\n0.117492 0.123087 0.363802 O\n0.117465 0.762260 0.363786 O\n0.876913 0.882508 0.636200 O\n0.446616 0.103949 0.160765 O\n0.237740 0.882535 0.636216 O\n0.446611 0.452243 0.160790 O\n0.853900 0.289378 0.102197 O\n0.098298 0.452255 0.160851 O\n0.547758 0.553389 0.839211 O\n0.547745 0.901702 0.839151 O\n0.896051 0.553384 0.839236 O\n0.876888 0.243428 0.636188 O\n0.853875 0.859518 0.102193 O\n",
"nsites": 27,
"nelements": 4,
"elements": [
"Ti",
"Nb",
"Tl",
"O"
],
"chemical_system": "Nb-O-Ti-Tl",
"density": 5.124171555436101,
"density_atomic": 0.06398924270810599,
"volume": 421.9459218038176,
"volume_molar": 9.41117679337238,
"formula_full": "Ti1 Nb6 Tl2 O18",
"formula_reduced": "TiNb6Tl2O18",
"formula_anonymous": "AB2C6D18",
"energy_above_hull": 3.6489793679012346,
"spacegroup": 164
},
{
"id": "jvasp-119348",
"created_at": "2022-09-04T14:38:31.147495Z",
"updated_at": "2022-09-04T14:38:31.147525Z",
"structure_string": "Li2 Co2 Ni2 O8\n1.0\n4.913067 -0.007566 -2.829625\n-1.636060 4.638568 -2.819939\n-0.016893 0.007566 5.669631\nLi Co Ni O\n2 2 2 8\ndirect\n0.128882 0.878882 0.250000 Li\n0.871119 0.121118 0.750000 Li\n0.000000 0.500001 0.500000 Co\n0.500000 0.500000 -0.000001 Co\n0.500001 0.500000 0.500000 Ni\n0.500000 -0.000000 -0.000001 Ni\n0.263517 0.292335 0.528818 O\n0.263309 0.736502 0.526807 O\n0.709695 0.736502 0.973193 O\n0.263518 0.734701 0.971182 O\n0.736484 0.265300 0.028817 O\n0.736693 0.263499 0.473193 O\n0.290307 0.263499 0.026806 O\n0.736484 0.707665 0.471182 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Li",
"Co",
"Ni",
"O"
],
"chemical_system": "Co-Li-Ni-O",
"density": 4.852458515929358,
"density_atomic": 0.10847989077496568,
"volume": 129.05617714016756,
"volume_molar": 5.551389033468452,
"formula_full": "Li2 Co2 Ni2 O8",
"formula_reduced": "LiCoNiO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.183956757142857,
"spacegroup": 74
},
{
"id": "jvasp-111952",
"created_at": "2022-09-04T14:38:41.902847Z",
"updated_at": "2022-09-04T14:38:41.902870Z",
"structure_string": "Li3 Mg1 Ni4 O8\n1.0\n5.032614 -0.017992 2.872763\n1.659577 4.751140 2.872763\n-0.025439 -0.017992 5.794768\nLi Mg Ni O\n3 1 4 8\ndirect\n0.000000 0.500000 -0.000000 Li\n0.500000 0.000000 -0.000000 Li\n-0.000000 0.000000 0.500000 Li\n0.500000 0.500000 0.500000 Mg\n0.499999 0.000000 0.500000 Ni\n0.000000 0.000000 0.000000 Ni\n0.000000 0.500000 0.500000 Ni\n0.500000 0.500000 -0.000001 Ni\n0.750821 0.266893 0.750821 O\n0.249179 0.733108 0.249178 O\n0.733107 0.249179 0.249178 O\n0.258773 0.258774 0.258773 O\n0.741226 0.741227 0.741226 O\n0.266892 0.750822 0.750821 O\n0.249178 0.249179 0.733108 O\n0.750821 0.750822 0.266892 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Li",
"Mg",
"Ni",
"O"
],
"chemical_system": "Li-Mg-Ni-O",
"density": 4.864028608177301,
"density_atomic": 0.1148991213433721,
"volume": 139.25258794786208,
"volume_molar": 5.241241786351906,
"formula_full": "Li3 Mg1 Ni4 O8",
"formula_reduced": "Li3Mg(NiO2)4",
"formula_anonymous": "AB3C4D8",
"energy_above_hull": 1.826814790625,
"spacegroup": 166
},
{
"id": "jvasp-119335",
"created_at": "2022-09-04T14:38:30.653283Z",
"updated_at": "2022-09-04T14:38:30.653310Z",
"structure_string": "Li6 Mn4 Si4 O16\n1.0\n7.252536 -0.012218 -0.524852\n3.483960 6.283891 3.504176\n-0.020361 -0.030693 7.259904\nLi Mn Si O\n6 4 4 16\ndirect\n0.783432 0.253823 0.451001 Li\n0.283443 0.253819 0.951009 Li\n0.534188 0.751528 0.205658 Li\n0.034191 0.751532 0.705655 Li\n0.961478 0.749425 0.289132 Li\n0.461473 0.749440 0.789128 Li\n0.582623 0.009429 0.389082 Mn\n0.907669 0.489499 0.099100 Mn\n0.082620 0.009430 0.889080 Mn\n0.407687 0.489501 0.599123 Mn\n0.825366 0.506033 0.666975 Si\n0.325356 0.506032 0.166976 Si\n0.675029 0.994426 0.836850 Si\n0.175026 0.994429 0.336848 Si\n0.118939 0.518048 0.250258 O\n0.246672 0.723387 0.928455 O\n0.746672 0.723383 0.428450 O\n-0.002579 0.501349 0.833768 O\n0.497402 0.501349 0.333779 O\n0.618960 0.518050 0.750283 O\n0.436801 0.292242 0.149014 O\n0.859436 0.978994 0.998981 O\n0.451082 0.204883 0.767493 O\n0.951072 0.204881 0.267488 O\n0.758989 0.000222 0.628128 O\n0.258987 0.000226 0.128124 O\n0.359429 0.979001 0.498979 O\n0.653560 0.776773 0.967569 O\n0.936792 0.292240 0.649017 O\n0.153567 0.776768 0.467572 O\n",
"nsites": 30,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Si",
"O"
],
"chemical_system": "Li-Mn-O-Si",
"density": 3.1502178064016846,
"density_atomic": 0.09037700723394454,
"volume": 331.94283499943504,
"volume_molar": 6.663354922133507,
"formula_full": "Li6 Mn4 Si4 O16",
"formula_reduced": "Li3Mn2(SiO4)2",
"formula_anonymous": "A2B2C3D8",
"energy_above_hull": 2.833304645517241,
"spacegroup": 1
},
{
"id": "jvasp-111911",
"created_at": "2022-09-04T14:38:42.489695Z",
"updated_at": "2022-09-04T14:38:42.489729Z",
"structure_string": "Ba1 Mo1 P2 O8\n1.0\n4.923777 -0.004587 0.328327\n2.053014 4.475347 0.328327\n0.017726 0.011359 7.827700\nBa Mo P O\n1 1 2 8\ndirect\n0.000000 0.000000 0.000000 Ba\n0.000000 0.000000 0.500000 Mo\n0.369920 0.369920 0.290118 P\n0.630081 0.630080 0.709883 P\n0.285457 0.762146 0.687474 O\n0.686190 0.686189 0.890059 O\n0.714543 0.237854 0.312527 O\n0.235499 0.235498 0.438424 O\n0.764502 0.764502 0.561577 O\n0.237854 0.714543 0.312527 O\n0.313811 0.313811 0.109941 O\n0.762147 0.285457 0.687474 O\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Ba",
"Mo",
"P",
"O"
],
"chemical_system": "Ba-Mo-O-P",
"density": 4.073357105018789,
"density_atomic": 0.06955510273855543,
"volume": 172.5250848252751,
"volume_molar": 8.658086212072888,
"formula_full": "Ba1 Mo1 P2 O8",
"formula_reduced": "BaMo(PO4)2",
"formula_anonymous": "ABC2D8",
"energy_above_hull": 2.9423467391666667,
"spacegroup": 12
}
]
}