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=spacegroup&page=212",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=spacegroup&page=210",
"results": [
{
"id": "jvasp-12668",
"created_at": "2022-09-04T14:37:08.605689Z",
"updated_at": "2022-09-04T14:37:08.605718Z",
"structure_string": "V2 Pb3 O8\n1.0\n5.260932 0.010660 2.123946\n1.535864 5.031763 2.123946\n0.019665 0.014589 7.522806\nV Pb O\n2 3 8\ndirect\n0.587144 0.597986 0.205265 V\n0.402014 0.412855 0.794737 V\n0.168602 0.270291 0.388183 Pb\n0.729709 0.831398 0.611819 Pb\n-0.002802 0.002802 0.000000 Pb\n0.673350 0.777073 0.960477 O\n0.222927 0.326650 0.039525 O\n0.753479 0.654393 0.329940 O\n0.345607 0.246521 0.670062 O\n0.660025 0.255029 0.239955 O\n0.295414 0.756960 0.701981 O\n0.243040 0.704586 0.298021 O\n0.744971 0.339974 0.760046 O\n",
"nsites": 13,
"nelements": 3,
"elements": [
"V",
"Pb",
"O"
],
"chemical_system": "O-Pb-V",
"density": 7.116045109159368,
"density_atomic": 0.0654273625697988,
"volume": 198.6936273968162,
"volume_molar": 9.204315325373996,
"formula_full": "V2 Pb3 O8",
"formula_reduced": "V2Pb3O8",
"formula_anonymous": "A2B3C8",
"energy_above_hull": 2.5584460661538464,
"spacegroup": 5
},
{
"id": "jvasp-34252",
"created_at": "2022-09-04T14:37:08.895161Z",
"updated_at": "2022-09-04T14:37:08.895175Z",
"structure_string": "Ba1 Cu1 B2 O5\n1.0\n4.007075 -0.014074 -0.257962\n-0.481475 5.305111 -1.886151\n-0.014962 -0.007571 5.650968\nBa Cu B O\n1 1 2 5\ndirect\n-0.000001 0.995970 0.004029 Ba\n0.500000 0.407219 0.592782 Cu\n0.401395 0.871003 0.485501 B\n0.598603 0.514499 0.128999 B\n0.499998 0.762059 0.237941 O\n0.535170 0.333604 0.235638 O\n0.464830 0.764364 0.666397 O\n0.238415 0.083147 0.538663 O\n0.761581 0.461336 0.916854 O\n",
"nsites": 9,
"nelements": 4,
"elements": [
"Ba",
"Cu",
"B",
"O"
],
"chemical_system": "B-Ba-Cu-O",
"density": 4.185453983284888,
"density_atomic": 0.07499323531365873,
"volume": 120.01082447446836,
"volume_molar": 8.030245307876685,
"formula_full": "Ba1 Cu1 B2 O5",
"formula_reduced": "BaCuB2O5",
"formula_anonymous": "ABC2D5",
"energy_above_hull": 2.411573231851852,
"spacegroup": 5
},
{
"id": "jvasp-29861",
"created_at": "2022-09-04T14:37:08.937613Z",
"updated_at": "2022-09-04T14:37:08.937632Z",
"structure_string": "Co1 H2 O2\n1.0\n2.529916 -0.646300 -0.193333\n-1.762316 3.167980 1.235075\n-0.247176 2.050724 6.273247\nCo H O\n1 2 2\ndirect\n0.116033 0.079448 0.976038 Co\n0.614506 0.077991 0.632562 H\n-0.038387 0.084276 0.320750 H\n0.860853 0.943060 0.724097 O\n0.383082 0.215767 0.227754 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Co",
"H",
"O"
],
"chemical_system": "Co-H-O",
"density": 4.119117047003297,
"density_atomic": 0.13343985902067035,
"volume": 37.47006356792898,
"volume_molar": 4.512999941844323,
"formula_full": "Co1 H2 O2",
"formula_reduced": "Co(HO)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 2.64955758,
"spacegroup": 5
},
{
"id": "jvasp-34222",
"created_at": "2022-09-04T14:37:09.316208Z",
"updated_at": "2022-09-04T14:37:09.316228Z",
"structure_string": "Li4 C1 O4\n1.0\n4.265154 0.160983 -1.718639\n-0.940437 4.190231 -1.942146\n-0.439972 -0.849647 4.988195\nLi C O\n4 1 4\ndirect\n0.006231 0.885041 0.704847 Li\n0.486061 0.301000 0.759885 Li\n0.751848 0.175562 0.196063 Li\n0.176677 0.759681 0.141097 Li\n0.465742 0.530319 0.450465 C\n0.767304 0.501848 0.683037 O\n0.534785 0.558808 0.217939 O\n0.190529 0.222773 0.247225 O\n0.393736 0.837881 0.653680 O\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Li",
"C",
"O"
],
"chemical_system": "C-Li-O",
"density": 2.1962003946723128,
"density_atomic": 0.11470541875442009,
"volume": 78.46185557518129,
"volume_molar": 5.250092650717027,
"formula_full": "Li4 C1 O4",
"formula_reduced": "Li4CO4",
"formula_anonymous": "AB4C4",
"energy_above_hull": 2.214240444444445,
"spacegroup": 5
},
{
"id": "jvasp-34659",
"created_at": "2022-09-04T14:37:09.029476Z",
"updated_at": "2022-09-04T14:37:09.029496Z",
"structure_string": "Si4 O8\n1.0\n4.954618 -0.021621 -0.043016\n-1.532971 6.978970 -0.053275\n-1.786389 -3.447669 6.104939\nSi O\n4 8\ndirect\n0.795733 0.152513 0.284295 Si\n0.431674 0.152449 0.538713 Si\n0.821753 0.569161 0.619941 Si\n0.472735 0.871499 0.771027 Si\n0.689188 0.404326 0.707604 O\n0.621296 0.721749 0.619106 O\n0.789684 0.404382 0.367509 O\n0.174631 0.721770 0.773326 O\n0.722360 0.024961 0.022570 O\n0.376316 0.024827 0.672689 O\n0.549002 0.021902 0.346575 O\n0.124415 0.173400 0.421489 O\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Si",
"O"
],
"chemical_system": "O-Si",
"density": 1.9075166766600524,
"density_atomic": 0.05735608436578617,
"volume": 209.21930310776574,
"volume_molar": 10.499567441867256,
"formula_full": "Si4 O8",
"formula_reduced": "SiO2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.4108485333333336,
"spacegroup": 5
},
{
"id": "jvasp-50388",
"created_at": "2022-09-04T14:37:09.368641Z",
"updated_at": "2022-09-04T14:37:09.368667Z",
"structure_string": "Sm4 U2 O11\n1.0\n0.000000 -5.351289 -5.348701\n2.741030 5.529484 -2.850186\n5.482060 -0.000000 -0.000000\nSm U O\n4 2 11\ndirect\n0.997383 0.975820 0.039222 Sm\n0.823516 0.336533 0.308846 Sm\n0.343151 0.330134 0.312045 Sm\n0.169284 0.690845 0.681710 Sm\n0.510671 0.016082 0.975911 U\n0.655997 0.650585 0.658659 U\n0.243899 0.022383 0.736609 O\n0.400137 0.615896 0.474913 O\n0.922767 0.644284 0.425659 O\n0.583333 0.333333 0.581608 O\n0.721020 0.966541 0.286105 O\n0.583333 0.333333 0.049231 O\n0.884401 0.678432 0.891981 O\n0.282267 0.988235 0.237079 O\n0.083333 0.333333 0.080302 O\n0.766531 0.050769 0.757476 O\n0.445648 0.700126 0.919313 O\n",
"nsites": 17,
"nelements": 3,
"elements": [
"Sm",
"U",
"O"
],
"chemical_system": "O-Sm-U",
"density": 8.469931626913441,
"density_atomic": 0.0691764756471197,
"volume": 245.7482813481237,
"volume_molar": 8.705474951802845,
"formula_full": "Sm4 U2 O11",
"formula_reduced": "Sm4U2O11",
"formula_anonymous": "A2B4C11",
"energy_above_hull": 3.0701138823529406,
"spacegroup": 5
},
{
"id": "jvasp-12728",
"created_at": "2022-09-04T14:37:10.626052Z",
"updated_at": "2022-09-04T14:37:10.626077Z",
"structure_string": "Hg2 P2 S7\n1.0\n5.904870 -0.000000 -0.000000\n-2.952436 5.365983 -1.286699\n-0.000000 0.035127 8.183459\nHg P S\n2 2 7\ndirect\n0.789854 0.575549 0.799376 Hg\n0.214304 0.424451 0.200624 Hg\n0.909561 0.825423 0.293979 P\n0.084139 0.174577 0.706021 P\n0.211554 0.947446 0.761944 S\n0.264109 0.052554 0.238056 S\n0.886636 0.516254 0.356472 S\n0.370382 0.483746 0.643528 S\n0.779288 0.000000 0.500000 S\n0.626864 0.751158 0.108311 S\n0.875706 0.248842 0.891689 S\n",
"nsites": 11,
"nelements": 3,
"elements": [
"Hg",
"P",
"S"
],
"chemical_system": "Hg-P-S",
"density": 4.398763414551445,
"density_atomic": 0.04237886899474708,
"volume": 259.5633215545102,
"volume_molar": 14.210244168494567,
"formula_full": "Hg2 P2 S7",
"formula_reduced": "Hg2P2S7",
"formula_anonymous": "A2B2C7",
"energy_above_hull": 1.7285818363636365,
"spacegroup": 5
},
{
"id": "jvasp-34205",
"created_at": "2022-09-04T14:37:10.179790Z",
"updated_at": "2022-09-04T14:37:10.179820Z",
"structure_string": "Li1 Al1 As2 O7\n1.0\n4.641631 -0.005335 -0.732735\n-0.986977 5.031370 -1.004519\n-0.009398 0.004129 5.224733\nLi Al As O\n1 1 2 7\ndirect\n0.499999 0.246078 0.753922 Li\n0.499999 0.621361 0.378639 Al\n0.905283 0.179559 0.250405 As\n0.094717 0.749594 0.820441 As\n0.651662 0.357758 0.146090 O\n0.769350 0.544811 0.659582 O\n0.231878 0.628383 0.079073 O\n0.000000 0.062379 0.937621 O\n0.230648 0.340417 0.455190 O\n0.768120 0.920927 0.371616 O\n0.348336 0.853910 0.642242 O\n",
"nsites": 11,
"nelements": 4,
"elements": [
"Li",
"Al",
"As",
"O"
],
"chemical_system": "Al-As-Li-O",
"density": 4.026355477179533,
"density_atomic": 0.09018078385776496,
"volume": 121.97720544710981,
"volume_molar": 6.677853642853947,
"formula_full": "Li1 Al1 As2 O7",
"formula_reduced": "LiAlAs2O7",
"formula_anonymous": "ABC2D7",
"energy_above_hull": 2.454309163636364,
"spacegroup": 5
},
{
"id": "jvasp-11523",
"created_at": "2022-09-04T14:37:10.784712Z",
"updated_at": "2022-09-04T14:37:10.784731Z",
"structure_string": "Sb2 F8\n1.0\n5.145550 0.021103 0.414796\n-0.048163 5.138855 0.495666\n-1.808000 -1.907846 4.370075\nSb F\n2 8\ndirect\n0.498983 0.000453 -0.001293 Sb\n-0.001278 0.500636 -0.001148 Sb\n0.267142 0.222444 0.230083 F\n0.277294 0.232264 0.767500 F\n0.592432 0.640487 0.763853 F\n0.138466 0.772390 0.754628 F\n0.858844 0.907448 0.233660 F\n0.402721 0.768697 0.229444 F\n0.726993 0.361346 0.242701 F\n0.731047 0.096655 0.768045 F\n",
"nsites": 10,
"nelements": 2,
"elements": [
"Sb",
"F"
],
"chemical_system": "F-Sb",
"density": 5.283715003439204,
"density_atomic": 0.08045181841914455,
"volume": 124.29799843555023,
"volume_molar": 7.485400427651433,
"formula_full": "Sb2 F8",
"formula_reduced": "SbF4",
"formula_anonymous": "AB4",
"energy_above_hull": 0.0272420565000001,
"spacegroup": 5
},
{
"id": "jvasp-28388",
"created_at": "2022-09-04T14:37:10.853781Z",
"updated_at": "2022-09-04T14:37:10.853795Z",
"structure_string": "B2 S2 O9\n1.0\n0.000000 -4.196847 0.000000\n-3.900920 2.098423 0.329532\n0.021499 0.000000 -8.527465\nB S O\n2 2 9\ndirect\n0.823168 0.003846 0.853268 B\n0.819323 0.996153 0.146731 B\n0.490473 0.335662 0.728134 S\n0.154810 0.664337 0.271866 S\n0.635266 0.336396 0.579289 O\n0.298870 0.663604 0.420711 O\n0.498030 0.667226 0.791358 O\n0.830804 0.332774 0.208641 O\n0.685158 0.261899 0.859064 O\n0.423259 0.738101 0.140936 O\n0.094025 0.075424 0.726509 O\n0.018602 0.924576 0.273491 O\n0.961441 0.000000 0.000000 O\n",
"nsites": 13,
"nelements": 3,
"elements": [
"B",
"S",
"O"
],
"chemical_system": "B-O-S",
"density": 2.733257622235062,
"density_atomic": 0.09313774733628225,
"volume": 139.57820939197,
"volume_molar": 6.4658432614399795,
"formula_full": "B2 S2 O9",
"formula_reduced": "B2S2O9",
"formula_anonymous": "A2B2C9",
"energy_above_hull": 3.1258320512820514,
"spacegroup": 5
},
{
"id": "jvasp-50083",
"created_at": "2022-09-04T14:37:11.156284Z",
"updated_at": "2022-09-04T14:37:11.156302Z",
"structure_string": "Li1 Bi1 B2 O5\n1.0\n2.952652 4.456549 -0.149702\n-2.952652 4.456549 0.149702\n-0.571951 0.000000 3.869989\nLi Bi B O\n1 1 2 5\ndirect\n0.592005 0.592005 0.500000 Li\n0.024978 0.024978 0.000000 Bi\n0.127743 0.487742 0.642395 B\n0.487742 0.127742 0.357605 B\n0.213882 0.695367 0.588215 O\n0.490722 0.930943 0.161820 O\n0.243752 0.243752 0.500000 O\n0.930943 0.490722 0.838180 O\n0.695367 0.213881 0.411785 O\n",
"nsites": 9,
"nelements": 4,
"elements": [
"Li",
"Bi",
"B",
"O"
],
"chemical_system": "B-Bi-Li-O",
"density": 5.216316039514212,
"density_atomic": 0.08903449924642816,
"volume": 101.08441195462845,
"volume_molar": 6.763828415917771,
"formula_full": "Li1 Bi1 B2 O5",
"formula_reduced": "LiBiB2O5",
"formula_anonymous": "ABC2D5",
"energy_above_hull": 2.7252063296296294,
"spacegroup": 5
},
{
"id": "jvasp-10919",
"created_at": "2022-09-04T14:37:11.840037Z",
"updated_at": "2022-09-04T14:37:11.840052Z",
"structure_string": "Ca1 Cr2 F10\n1.0\n5.114720 -0.038047 1.911184\n1.094021 4.996492 1.911184\n-0.027920 -0.022298 7.407364\nCa Cr F\n1 2 10\ndirect\n0.458011 0.541988 0.250000 Ca\n0.010434 0.009527 0.991274 Cr\n0.990473 0.989565 0.508725 Cr\n0.811786 0.733193 0.625380 F\n0.266806 0.188213 0.874618 F\n0.175720 0.263554 0.377970 F\n0.736446 0.824280 0.122029 F\n0.924939 0.075060 0.749999 F\n0.079620 0.920379 0.250000 F\n0.762452 0.309297 0.038358 F\n0.690702 0.237548 0.461641 F\n0.244890 0.694192 0.978252 F\n0.305807 0.755109 0.521746 F\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Ca",
"Cr",
"F"
],
"chemical_system": "Ca-Cr-F",
"density": 2.918783760032968,
"density_atomic": 0.06840363768866557,
"volume": 190.04837226886386,
"volume_molar": 8.80383114624599,
"formula_full": "Ca1 Cr2 F10",
"formula_reduced": "CaCr2F10",
"formula_anonymous": "AB2C10",
"energy_above_hull": 0.5025021573076918,
"spacegroup": 5
}
]
}