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=150",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=volume_molar&page=148",
"results": [
{
"id": "jvasp-112251",
"created_at": "2022-09-04T14:38:47.479913Z",
"updated_at": "2022-09-04T14:38:47.479939Z",
"structure_string": "H16 C18 O6\n1.0\n4.559566 -0.062720 0.201328\n1.373165 8.239663 0.318597\n-0.221742 0.152841 9.460873\nH C O\n16 18 6\ndirect\n0.739910 0.145065 0.911368 H\n0.629007 0.261131 0.477345 H\n0.370995 0.738869 0.522655 H\n-0.014397 0.309398 0.524224 H\n0.933026 0.238379 0.350770 H\n0.066976 0.761621 0.649230 H\n0.699393 0.955873 0.141153 H\n0.300609 0.044126 0.858847 H\n0.014399 0.690602 0.475776 H\n0.215363 0.001466 0.681868 H\n0.403093 0.006444 0.266710 H\n0.596909 0.993557 0.733290 H\n0.443670 0.274843 0.257556 H\n0.556333 0.725156 0.742444 H\n0.260093 0.854935 0.088632 H\n0.784638 -0.001467 0.318132 H\n0.847361 0.384231 0.933427 C\n0.828468 0.309842 0.438236 C\n0.171534 0.690157 0.561765 C\n0.632303 0.944732 0.253302 C\n0.367700 0.055267 0.746698 C\n0.948642 0.670337 0.948998 C\n0.051360 0.329662 0.051002 C\n0.152641 0.615768 0.066573 C\n0.203461 0.452066 0.114684 C\n0.501598 0.679363 0.236909 C\n0.404437 0.402624 0.223985 C\n0.595565 0.597376 0.776015 C\n0.553599 0.513561 0.285915 C\n0.446403 0.486438 0.714085 C\n0.498405 0.320637 0.763092 C\n0.302246 0.728818 0.128570 C\n0.697757 0.271181 0.871430 C\n0.796541 0.547933 0.885316 C\n0.247022 0.522925 0.609331 O\n0.092185 0.185341 0.096174 O\n0.907818 0.814658 0.903826 O\n0.340016 0.222180 0.697410 O\n0.659987 0.777820 0.302590 O\n0.752981 0.477075 0.390669 O\n",
"nsites": 40,
"nelements": 3,
"elements": [
"H",
"C",
"O"
],
"chemical_system": "C-H-O",
"density": 1.5294946893013155,
"density_atomic": 0.11221909613466408,
"volume": 356.4455727927053,
"volume_molar": 5.3664135315912445,
"formula_full": "H16 C18 O6",
"formula_reduced": "H8(C3O)3",
"formula_anonymous": "A3B8C9",
"energy_above_hull": 5.178639525,
"spacegroup": 2
},
{
"id": "jvasp-54769",
"created_at": "2022-09-04T14:37:02.155278Z",
"updated_at": "2022-09-04T14:37:02.155290Z",
"structure_string": "Mg1 H2 O2\n1.0\n1.693731 -2.933627 -0.000000\n1.693731 2.933627 0.000000\n0.000000 0.000000 4.484293\nMg H O\n1 2 2\ndirect\n0.000000 0.000000 0.967883 Mg\n0.333333 0.666667 0.021668 H\n0.666667 0.333333 0.423649 H\n0.333333 0.666667 0.800396 O\n0.666667 0.333333 0.205867 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Mg",
"H",
"O"
],
"chemical_system": "H-Mg-O",
"density": 2.173156095716218,
"density_atomic": 0.11220099206972418,
"volume": 44.56288583342373,
"volume_molar": 5.367279423213752,
"formula_full": "Mg1 H2 O2",
"formula_reduced": "Mg(HO)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.6235172099999997,
"spacegroup": 156
},
{
"id": "jvasp-78322",
"created_at": "2022-09-04T14:37:15.331809Z",
"updated_at": "2022-09-04T14:37:15.331840Z",
"structure_string": "B1\n1.0\n0.000000 0.000000 3.514166\n1.711417 0.000000 0.000000\n-0.855708 1.482130 0.000000\nB\n1\ndirect\n0.000000 0.000000 0.000000 B\n",
"nsites": 1,
"nelements": 1,
"elements": [
"B"
],
"chemical_system": "B",
"density": 2.0139586643925647,
"density_atomic": 0.11218520549426438,
"volume": 8.913831334481323,
"volume_molar": 5.368034700714516,
"formula_full": "B1",
"formula_reduced": "B",
"formula_anonymous": "A",
"energy_above_hull": 0.7563425833333337,
"spacegroup": 191
},
{
"id": "jvasp-112009",
"created_at": "2022-09-04T14:38:41.679503Z",
"updated_at": "2022-09-04T14:38:41.679539Z",
"structure_string": "Sn1 H12 C7 O6\n1.0\n4.458250 -0.205343 -0.791939\n-2.154830 5.626038 -1.003487\n-0.229940 0.428830 9.342442\nSn H C O\n1 12 7 6\ndirect\n0.229003 0.663066 0.392361 Sn\n0.667091 0.074521 0.407305 H\n0.841381 0.008568 0.803207 H\n0.775079 0.302707 0.241134 H\n0.557830 0.388184 0.857390 H\n0.410860 0.149525 0.700624 H\n0.024127 0.257574 0.954054 H\n0.105878 0.547047 0.793734 H\n0.795094 0.729044 0.987951 H\n0.996810 0.987245 0.128089 H\n0.517140 0.114845 0.046797 H\n0.337112 0.865932 0.899561 H\n0.961620 0.305013 0.644540 H\n0.575025 0.992082 0.971879 C\n0.752013 0.861308 0.061981 C\n0.880989 0.422584 0.710924 C\n0.632002 0.272780 0.785562 C\n0.777739 0.565452 0.605440 C\n0.584073 0.736261 0.170269 C\n0.786366 0.132535 0.878715 C\n0.000771 0.721737 0.562556 O\n0.492102 0.008868 0.457494 O\n0.956333 0.309993 0.321150 O\n0.732972 0.668949 0.277046 O\n0.285795 0.704544 0.162077 O\n0.476256 0.530279 0.563851 O\n",
"nsites": 26,
"nelements": 4,
"elements": [
"Sn",
"H",
"C",
"O"
],
"chemical_system": "C-H-O-Sn",
"density": 2.2272640235650547,
"density_atomic": 0.11217806567156847,
"volume": 231.7743655530842,
"volume_molar": 5.368376361232186,
"formula_full": "Sn1 H12 C7 O6",
"formula_reduced": "SnH12C7O6",
"formula_anonymous": "AB6C7D12",
"energy_above_hull": 4.30821895,
"spacegroup": 1
},
{
"id": "jvasp-110614",
"created_at": "2022-09-04T14:38:39.010559Z",
"updated_at": "2022-09-04T14:38:39.010569Z",
"structure_string": "Mn2 Ni2 N4\n1.0\n2.620292 0.000000 0.000000\n-1.310147 2.269207 0.000000\n0.000000 -0.000000 11.995366\nMn Ni N\n2 2 4\ndirect\n0.333447 0.666895 0.250000 Mn\n0.666552 0.333107 0.750000 Mn\n0.000000 0.000000 0.000000 Ni\n0.000000 0.000000 0.500000 Ni\n0.999888 0.999780 0.847989 N\n0.000111 0.000221 0.152011 N\n0.000111 0.000221 0.347989 N\n0.999888 0.999780 0.652011 N\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Mn",
"Ni",
"N"
],
"chemical_system": "Mn-N-Ni",
"density": 6.595421528401889,
"density_atomic": 0.11216379058283807,
"volume": 71.32426568707693,
"volume_molar": 5.369059594640192,
"formula_full": "Mn2 Ni2 N4",
"formula_reduced": "MnNiN2",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.8538265353448273,
"spacegroup": 194
},
{
"id": "jvasp-43888",
"created_at": "2022-09-04T14:37:15.577099Z",
"updated_at": "2022-09-04T14:37:15.577126Z",
"structure_string": "Li10 Fe2 O2 F10\n1.0\n2.554272 4.374043 -0.012878\n-2.554272 4.374043 0.012878\n-3.555407 0.000000 9.593833\nLi Fe O F\n10 2 2 10\ndirect\n0.170005 0.200524 0.741090 Li\n0.490959 0.508178 0.746984 Li\n0.855771 0.817739 0.745392 Li\n0.327230 0.346288 0.506441 Li\n0.683170 0.665731 0.509177 Li\n0.182261 0.144228 0.245392 Li\n0.799475 0.829994 0.241090 Li\n0.491822 0.509040 0.246984 Li\n0.334269 0.316829 0.009177 Li\n0.653711 0.672769 0.006441 Li\n0.028873 0.993610 0.007812 Fe\n0.006389 0.971127 0.507812 Fe\n0.086931 0.595647 0.620881 O\n0.404353 0.913067 0.120881 O\n0.559924 0.087080 0.369036 F\n0.262591 0.748105 0.867795 F\n0.433414 0.932252 0.627276 F\n0.251894 0.737408 0.367795 F\n0.067747 0.566585 0.127276 F\n0.912919 0.440075 0.869036 F\n0.605114 0.085139 0.879363 F\n0.747838 0.271536 0.628751 F\n0.914861 0.394885 0.379363 F\n0.728464 0.252161 0.128752 F\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Li",
"Fe",
"O",
"F"
],
"chemical_system": "F-Fe-Li-O",
"density": 3.1281190179031655,
"density_atomic": 0.11216338608848016,
"volume": 213.97356871044875,
"volume_molar": 5.3690789570577255,
"formula_full": "Li10 Fe2 O2 F10",
"formula_reduced": "Li5FeOF5",
"formula_anonymous": "ABC5D5",
"energy_above_hull": 0.6503950343749998,
"spacegroup": 9
},
{
"id": "jvasp-105391",
"created_at": "2022-09-04T14:37:01.569949Z",
"updated_at": "2022-09-04T14:37:01.569971Z",
"structure_string": "Ta1 Ti1 B4\n1.0\n3.064949 0.000000 0.000000\n-1.532475 2.654324 0.000000\n0.000000 -0.000000 6.575697\nTa Ti B\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Ta\n0.000000 0.000000 0.500000 Ti\n0.666667 0.333333 0.742465 B\n0.666667 0.333333 0.257535 B\n0.333334 0.666666 0.742465 B\n0.333334 0.666666 0.257535 B\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ta",
"Ti",
"B"
],
"chemical_system": "B-Ta-Ti",
"density": 8.44487107628588,
"density_atomic": 0.1121585202563969,
"volume": 53.49571290958426,
"volume_molar": 5.369311886634426,
"formula_full": "Ta1 Ti1 B4",
"formula_reduced": "TaTiB4",
"formula_anonymous": "ABC4",
"energy_above_hull": 5.117234644444446,
"spacegroup": 191
},
{
"id": "jvasp-42435",
"created_at": "2022-09-04T14:35:42.261528Z",
"updated_at": "2022-09-04T14:35:42.261541Z",
"structure_string": "Li2 Ti1 Mn1 O4\n1.0\n5.211448 -0.115085 0.000000\n2.177309 4.736218 0.000000\n-3.694379 -2.310567 2.860994\nLi Ti Mn O\n2 1 1 4\ndirect\n0.250000 0.750000 0.499999 Li\n0.500000 0.500001 -0.000000 Li\n0.750000 0.250000 0.499999 Ti\n0.000000 0.000000 0.000000 Mn\n0.514944 0.014944 0.499999 O\n0.250211 0.250211 -0.000000 O\n0.985055 0.485056 0.499999 O\n0.749789 0.749790 -0.000000 O\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Li",
"Ti",
"Mn",
"O"
],
"chemical_system": "Li-Mn-O-Ti",
"density": 4.206071060744319,
"density_atomic": 0.11214921769635999,
"volume": 71.33353370025027,
"volume_molar": 5.369757260638885,
"formula_full": "Li2 Ti1 Mn1 O4",
"formula_reduced": "Li2TiMnO4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 2.4721474468390805,
"spacegroup": 119
},
{
"id": "jvasp-47597",
"created_at": "2022-09-04T14:38:14.468219Z",
"updated_at": "2022-09-04T14:38:14.468235Z",
"structure_string": "Li4 Mn2 Co6 O16\n1.0\n5.643043 0.000043 -0.000097\n-2.821484 4.886955 0.000195\n-0.000035 0.000061 9.053629\nLi Mn Co O\n4 2 6 16\ndirect\n0.333348 0.666687 0.894655 Li\n0.999917 -0.000024 0.998345 Li\n0.000083 0.000061 0.498345 Li\n0.666653 0.333339 0.394655 Li\n0.333351 0.666692 0.489499 Mn\n0.666651 0.333342 0.989499 Mn\n0.829747 0.170293 0.712859 Co\n0.829752 0.659475 0.712854 Co\n0.340571 0.170292 0.712864 Co\n0.170253 0.340546 0.212859 Co\n0.170249 0.829725 0.212854 Co\n0.659430 0.829723 0.212864 Co\n0.332801 0.166416 0.099261 O\n0.833545 0.667144 0.099284 O\n0.666683 0.333359 0.606668 O\n0.520089 0.040141 0.840358 O\n0.520087 0.479963 0.840346 O\n0.667200 0.833616 0.599262 O\n0.479912 0.520054 0.340359 O\n0.040123 0.520067 0.340361 O\n0.166447 0.332873 0.599286 O\n0.000021 0.000006 0.807280 O\n-0.000020 -0.000014 0.307280 O\n0.333318 0.666678 0.106668 O\n0.959879 0.479944 0.840361 O\n0.166456 0.833599 0.599284 O\n0.479915 0.959878 0.340346 O\n0.833553 0.166425 0.099286 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.969662495505172,
"density_atomic": 0.11214546789578585,
"volume": 249.67571606210376,
"volume_molar": 5.369936808856363,
"formula_full": "Li4 Mn2 Co6 O16",
"formula_reduced": "Li2MnCo3O8",
"formula_anonymous": "AB2C3D8",
"energy_above_hull": 2.954071281527093,
"spacegroup": 186
},
{
"id": "jvasp-112725",
"created_at": "2022-09-04T14:38:43.188830Z",
"updated_at": "2022-09-04T14:38:43.188856Z",
"structure_string": "Mn2 Co8 N8\n1.0\n4.795339 0.000677 0.460398\n1.232179 4.367509 1.526424\n-0.008861 0.015370 7.668720\nMn Co N\n2 8 8\ndirect\n0.697609 0.845386 0.777314 Mn\n0.302392 0.154615 0.222686 Mn\n0.731788 0.060597 0.415491 Co\n0.216848 0.571845 0.424920 Co\n0.783152 0.428156 0.575079 Co\n0.268212 0.939404 0.584508 Co\n0.740480 0.244341 0.950183 Co\n0.242105 0.357442 0.783477 Co\n0.757895 0.642559 0.216522 Co\n0.259520 0.755660 0.049817 Co\n0.509221 0.789643 0.392727 N\n0.977581 0.708252 0.617529 N\n0.022419 0.291749 0.382471 N\n0.868891 0.823927 0.982375 N\n0.131110 0.176074 0.017625 N\n0.429161 0.631939 0.836835 N\n0.570839 0.368062 0.163165 N\n0.490779 0.210358 0.607273 N\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Mn",
"Co",
"N"
],
"chemical_system": "Co-Mn-N",
"density": 7.173049142976416,
"density_atomic": 0.11213633340896527,
"volume": 160.51889207357394,
"volume_molar": 5.3703742372572805,
"formula_full": "Mn2 Co8 N8",
"formula_reduced": "Mn(CoN)4",
"formula_anonymous": "AB4C4",
"energy_above_hull": 5.000575982375479,
"spacegroup": 2
},
{
"id": "jvasp-46470",
"created_at": "2022-09-04T14:38:07.736977Z",
"updated_at": "2022-09-04T14:38:07.736999Z",
"structure_string": "Li4 Cr3 Ga1 O8\n1.0\n0.000000 5.088090 0.000637\n5.875472 0.000000 0.000000\n0.000000 -1.694841 -4.773775\nLi Cr Ga O\n4 3 1 8\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.000000 Li\n0.500000 0.748376 -0.000000 Li\n0.500000 0.251624 -0.000000 Li\n-0.000000 0.750041 0.500000 Cr\n-0.000000 0.249959 0.500000 Cr\n0.500000 0.500000 0.499999 Cr\n0.500000 0.000000 0.499999 Ga\n0.759340 0.000000 0.272827 O\n0.758110 0.500000 0.275888 O\n0.742807 0.748787 0.726892 O\n0.257193 0.748787 0.273106 O\n0.742807 0.251213 0.726892 O\n0.240659 0.000000 0.727171 O\n0.257193 0.251213 0.273106 O\n0.241890 0.500000 0.724111 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Li",
"Cr",
"Ga",
"O"
],
"chemical_system": "Cr-Ga-Li-O",
"density": 4.438843859729441,
"density_atomic": 0.11211914963464874,
"volume": 142.70532778867457,
"volume_molar": 5.371197319658361,
"formula_full": "Li4 Cr3 Ga1 O8",
"formula_reduced": "Li4Cr3GaO8",
"formula_anonymous": "AB3C4D8",
"energy_above_hull": 2.6687039078125,
"spacegroup": 10
},
{
"id": "jvasp-103898",
"created_at": "2022-09-04T14:37:02.015206Z",
"updated_at": "2022-09-04T14:37:02.015223Z",
"structure_string": "Al1 H16 C10 Cl1 O4\n1.0\n4.757365 -0.013961 0.833531\n0.641731 6.436852 2.552180\n0.043223 -0.203279 9.248469\nAl H C Cl O\n1 16 10 1 4\ndirect\n0.143802 0.746251 0.902399 Al\n0.349397 0.276375 0.390406 H\n0.502815 0.512411 0.495959 H\n0.532435 0.319064 0.676522 H\n-0.008337 0.299158 0.707497 H\n0.982992 0.524957 0.542660 H\n0.824079 0.201320 0.174403 H\n0.926281 0.951417 0.163428 H\n0.301984 0.084134 0.574583 H\n0.638808 0.836929 0.456684 H\n0.872384 0.243181 0.411572 H\n0.812642 0.048030 0.593593 H\n0.241290 0.169215 0.980086 H\n0.572670 0.272219 0.955398 H\n0.421579 0.875493 0.220928 H\n0.315029 0.123813 0.234569 H\n0.001376 0.875271 0.414049 H\n0.462594 0.131299 0.000795 C\n0.478863 0.035143 0.178758 C\n0.739033 0.117604 0.478715 C\n0.788168 0.954553 0.397500 C\n0.768229 0.040960 0.221530 C\n0.407880 0.374745 0.578615 C\n0.432626 0.208810 0.502205 C\n0.090804 0.562942 0.742392 C\n0.601587 0.983329 0.918768 C\n0.102316 0.435801 0.639897 C\n0.175300 0.561151 0.141909 Cl\n0.274941 0.695094 0.714141 O\n0.875399 0.959750 0.897593 O\n0.460534 0.882262 0.872217 O\n0.916846 0.545714 0.866384 O\n",
"nsites": 32,
"nelements": 5,
"elements": [
"Al",
"H",
"C",
"Cl",
"O"
],
"chemical_system": "Al-C-Cl-H-O",
"density": 1.5281619973872167,
"density_atomic": 0.11211561935630324,
"volume": 285.41964254154504,
"volume_molar": 5.371366447043965,
"formula_full": "Al1 H16 C10 Cl1 O4",
"formula_reduced": "AlH16C10ClO4",
"formula_anonymous": "ABC4D10E16",
"energy_above_hull": 4.533354089609375,
"spacegroup": 1
}
]
}