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=4018",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=nsites&page=4016",
"results": [
{
"id": "jvasp-21731",
"created_at": "2022-09-04T14:37:30.108330Z",
"updated_at": "2022-09-04T14:37:30.108345Z",
"structure_string": "Na2 Nd4 Ru2 O12\n1.0\n0.000000 5.516573 -0.000391\n5.960547 0.000000 0.000000\n0.000000 -5.379559 -7.939391\nNa Nd Ru O\n2 4 2 12\ndirect\n0.000000 0.000000 0.000000 Na\n-0.000000 0.500000 0.500000 Na\n0.773853 0.425906 0.752736 Nd\n0.226146 0.925906 0.747264 Nd\n0.226146 0.574095 0.247264 Nd\n0.773853 0.074094 0.252736 Nd\n0.500000 0.500000 -0.000000 Ru\n0.500000 0.000000 0.500000 Ru\n0.155432 0.826710 0.448722 O\n0.844567 0.326710 0.051277 O\n0.614603 0.453065 0.232203 O\n0.385396 0.953065 0.267797 O\n0.385396 0.546936 0.767797 O\n0.269315 0.218033 0.933716 O\n0.730684 0.781968 0.066284 O\n0.269315 0.281967 0.433716 O\n0.155432 0.673291 0.948722 O\n0.730684 0.718033 0.566284 O\n0.614603 0.046935 0.732203 O\n0.844567 0.173291 0.551277 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Na",
"Nd",
"Ru",
"O"
],
"chemical_system": "Na-Nd-O-Ru",
"density": 6.469054693450219,
"density_atomic": 0.07660664843195289,
"volume": 261.0739460526762,
"volume_molar": 7.861120259489313,
"formula_full": "Na2 Nd4 Ru2 O12",
"formula_reduced": "NaNd2RuO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.3237613500000007,
"spacegroup": 14
},
{
"id": "jvasp-21298",
"created_at": "2022-09-04T14:37:09.826608Z",
"updated_at": "2022-09-04T14:37:09.826638Z",
"structure_string": "Mg2 Cu2 Si4 O12\n1.0\n4.892551 -0.062736 0.941303\n1.117739 6.475143 0.445829\n-0.147416 -0.123985 6.583770\nMg Cu Si O\n2 2 4 12\ndirect\n0.750001 0.267663 0.732354 Mg\n0.249999 0.732337 0.267647 Mg\n0.249996 0.099117 0.900876 Cu\n0.750001 0.900885 0.099124 Cu\n0.296873 0.208788 0.387968 Si\n0.203115 0.612037 0.791207 Si\n0.796883 0.387963 0.208793 Si\n0.703126 0.791212 0.612032 Si\n0.630516 0.976556 0.781863 O\n0.869474 0.218120 0.023457 O\n0.631535 0.606809 0.149579 O\n0.868487 0.850409 0.393202 O\n0.368464 0.393189 0.850421 O\n-0.092725 0.590569 0.708169 O\n0.092723 0.409431 0.291832 O\n0.407282 0.708158 0.590576 O\n0.369482 0.023443 0.218137 O\n0.592718 0.291843 0.409424 O\n0.131513 0.149590 0.606798 O\n0.130527 0.781880 0.976543 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Mg",
"Cu",
"Si",
"O"
],
"chemical_system": "Cu-Mg-O-Si",
"density": 3.794401027296765,
"density_atomic": 0.09520277234647984,
"volume": 210.07791587425876,
"volume_molar": 6.325593899811124,
"formula_full": "Mg2 Cu2 Si4 O12",
"formula_reduced": "MgCu(SiO3)2",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.08543877,
"spacegroup": 15
},
{
"id": "jvasp-50933",
"created_at": "2022-09-04T14:37:30.151404Z",
"updated_at": "2022-09-04T14:37:30.151429Z",
"structure_string": "Li4 H8 Br4 O4\n1.0\n4.033544 3.958209 0.000000\n-4.033544 3.958209 0.000000\n0.000000 0.000000 7.846255\nLi H Br O\n4 8 4 4\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.000000 0.500000 Li\n0.307098 0.307098 0.250000 Li\n0.692902 0.692902 0.750000 Li\n0.789093 0.596213 0.436523 H\n0.403787 0.210907 0.936523 H\n0.403787 0.210907 0.563476 H\n0.789093 0.596213 0.063476 H\n0.596213 0.789093 0.436523 H\n0.596213 0.789093 0.063476 H\n0.210907 0.403787 0.936523 H\n0.210907 0.403787 0.563476 H\n0.270337 0.782539 0.250000 Br\n0.217462 0.729663 0.750000 Br\n0.782539 0.270337 0.250000 Br\n0.729663 0.217462 0.750000 Br\n0.742080 0.742080 0.497555 O\n0.257921 0.257921 -0.002444 O\n0.257921 0.257921 0.502444 O\n0.742080 0.742080 0.002444 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Li",
"H",
"Br",
"O"
],
"chemical_system": "Br-H-Li-O",
"density": 2.779983171843715,
"density_atomic": 0.0798274140459076,
"volume": 250.54049713420864,
"volume_molar": 7.543950699112904,
"formula_full": "Li4 H8 Br4 O4",
"formula_reduced": "LiH2BrO",
"formula_anonymous": "ABCD2",
"energy_above_hull": 1.479551521,
"spacegroup": 63
},
{
"id": "jvasp-4525",
"created_at": "2022-09-04T14:37:16.363067Z",
"updated_at": "2022-09-04T14:37:16.363093Z",
"structure_string": "Yb8 Se12\n1.0\n6.577951 -0.658561 -1.048308\n-3.074193 5.852563 -1.048308\n0.863404 1.279918 15.023224\nYb Se\n8 12\ndirect\n0.216375 0.966376 0.932751 Yb\n0.783624 0.033624 0.067249 Yb\n0.966375 0.216376 0.432751 Yb\n0.875856 0.625856 0.251711 Yb\n0.374144 0.124144 0.248288 Yb\n0.124144 0.374144 0.748288 Yb\n0.625856 0.875856 0.751711 Yb\n0.033624 0.783624 0.567248 Yb\n0.060824 0.310824 0.250000 Se\n0.689176 0.939176 0.250000 Se\n0.451774 0.693058 0.910067 Se\n0.041709 0.782992 0.089933 Se\n0.693058 0.451775 0.410067 Se\n0.217008 0.958291 0.410067 Se\n0.548225 0.306942 0.089933 Se\n0.958291 0.217008 0.910067 Se\n0.306941 0.548225 0.589933 Se\n0.782992 0.041709 0.589933 Se\n0.310823 0.060824 0.750000 Se\n0.939176 0.689176 0.750000 Se\n",
"nsites": 20,
"nelements": 2,
"elements": [
"Yb",
"Se"
],
"chemical_system": "Se-Yb",
"density": 6.831638315462101,
"density_atomic": 0.03528637262534268,
"volume": 566.7910445868839,
"volume_molar": 17.066477260048252,
"formula_full": "Yb8 Se12",
"formula_reduced": "Yb2Se3",
"formula_anonymous": "A2B3",
"energy_above_hull": 0.9891066733333332,
"spacegroup": 70
},
{
"id": "jvasp-42786",
"created_at": "2022-09-04T14:37:30.158784Z",
"updated_at": "2022-09-04T14:37:30.158807Z",
"structure_string": "Na1 Li1 Fe2 Si4 O12\n1.0\n4.753656 4.279410 -0.058260\n-4.753656 4.279410 0.058260\n-1.638799 0.000000 5.012880\nNa Li Fe Si O\n1 1 2 4 12\ndirect\n0.705976 0.705976 0.750000 Na\n0.257323 0.257323 0.250000 Li\n0.087663 0.087664 0.750000 Fe\n0.915484 0.915484 0.250000 Fe\n0.203632 0.610263 0.742833 Si\n0.390589 0.798864 0.240488 Si\n0.610263 0.203632 0.757167 Si\n0.798864 0.390589 0.259512 Si\n0.906848 0.630608 0.190797 O\n0.653805 0.369450 0.481530 O\n0.366619 0.105170 0.671518 O\n0.634454 0.348688 0.980990 O\n0.369450 0.653805 0.018470 O\n0.197292 0.975061 0.137918 O\n0.348687 0.634454 0.519010 O\n0.105169 0.366619 0.828482 O\n0.808968 0.033245 0.863688 O\n0.033245 0.808968 0.636312 O\n0.630608 0.906848 0.309203 O\n0.975061 0.197292 0.362082 O\n",
"nsites": 20,
"nelements": 5,
"elements": [
"Na",
"Li",
"Fe",
"Si",
"O"
],
"chemical_system": "Fe-Li-Na-O-Si",
"density": 3.6454848481968023,
"density_atomic": 0.09845654775573018,
"volume": 203.1352962894842,
"volume_molar": 6.116546737897898,
"formula_full": "Na1 Li1 Fe2 Si4 O12",
"formula_reduced": "NaLiFe2(SiO3)4",
"formula_anonymous": "ABC2D4E12",
"energy_above_hull": 2.93563182,
"spacegroup": 5
},
{
"id": "jvasp-22663",
"created_at": "2022-09-04T14:37:09.865616Z",
"updated_at": "2022-09-04T14:37:09.865652Z",
"structure_string": "Fe4 P16\n1.0\n5.093430 0.000000 0.104248\n2.546715 5.230942 0.052125\n0.006318 0.000000 11.157040\nFe P\n4 16\ndirect\n0.923605 0.152791 0.750000 Fe\n0.076397 0.847209 0.250000 Fe\n0.000001 0.500000 0.500000 Fe\n0.500001 0.500000 -0.000000 Fe\n0.866910 0.187000 0.549908 P\n0.933104 0.535567 0.293046 P\n0.227307 0.143444 0.216232 P\n0.336144 0.207128 0.024000 P\n0.370753 0.856555 0.716232 P\n0.468672 0.464432 0.793046 P\n0.946092 0.187000 0.950092 P\n0.629249 0.143444 0.283768 P\n0.066898 0.464432 0.706954 P\n0.543272 0.792872 0.524000 P\n0.053909 0.813000 0.049908 P\n0.133092 0.813000 0.450092 P\n0.663858 0.792872 0.976000 P\n0.456729 0.207128 0.476000 P\n0.772694 0.856555 0.783768 P\n0.531330 0.535567 0.206954 P\n",
"nsites": 20,
"nelements": 2,
"elements": [
"Fe",
"P"
],
"chemical_system": "Fe-P",
"density": 4.016240756151564,
"density_atomic": 0.06728151971994535,
"volume": 297.25844605247636,
"volume_molar": 8.950661021134396,
"formula_full": "Fe4 P16",
"formula_reduced": "FeP4",
"formula_anonymous": "AB4",
"energy_above_hull": 3.1888855,
"spacegroup": 15
},
{
"id": "jvasp-49637",
"created_at": "2022-09-04T14:37:05.459526Z",
"updated_at": "2022-09-04T14:37:05.459548Z",
"structure_string": "Mg4 Ag2 Sb2 O12\n1.0\n0.000000 5.491985 0.006764\n7.555562 0.000000 0.000000\n0.000000 -0.901755 -5.530546\nMg Ag Sb O\n4 2 2 12\ndirect\n0.478726 0.750000 0.434958 Mg\n0.521272 0.250000 0.565043 Mg\n0.943035 0.750000 0.976588 Mg\n0.056963 0.250000 0.023413 Mg\n0.500000 0.500000 0.000000 Ag\n0.500000 0.000000 0.000000 Ag\n-0.000000 0.500000 0.500000 Sb\n-0.000000 0.000000 0.500000 Sb\n0.349361 0.558776 0.656295 O\n0.613272 0.750000 0.100103 O\n0.650637 0.058776 0.343707 O\n0.125596 0.250000 0.404547 O\n0.121534 0.927466 0.207772 O\n0.878464 0.072533 0.792229 O\n0.121534 0.572533 0.207772 O\n0.349361 0.941224 0.656295 O\n0.874403 0.750000 0.595454 O\n0.650637 0.441224 0.343707 O\n0.878464 0.427466 0.792229 O\n0.386726 0.250000 0.899898 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Mg",
"Ag",
"Sb",
"O"
],
"chemical_system": "Ag-Mg-O-Sb",
"density": 5.416841491206401,
"density_atomic": 0.08716719925396091,
"volume": 229.4441047914155,
"volume_molar": 6.908723478030473,
"formula_full": "Mg4 Ag2 Sb2 O12",
"formula_reduced": "Mg2AgSbO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 1.5196362460000004,
"spacegroup": 11
},
{
"id": "jvasp-21295",
"created_at": "2022-09-04T14:37:06.300231Z",
"updated_at": "2022-09-04T14:37:06.300259Z",
"structure_string": "Mg2 Ti2 Si4 O12\n1.0\n4.822602 -0.148801 0.834201\n0.949118 6.494256 0.618247\n-0.281122 0.077714 6.585845\nMg Ti Si O\n2 2 4 12\ndirect\n0.750000 0.275612 0.724388 Mg\n0.250001 0.724388 0.275614 Mg\n0.249999 0.069927 0.930074 Ti\n0.749999 0.930075 0.069927 Ti\n0.287894 0.209979 0.402044 Si\n0.212105 0.597956 0.790022 Si\n0.787894 0.402044 0.209979 Si\n0.712106 0.790021 0.597957 Si\n0.648066 0.966588 0.760664 O\n0.851934 0.239336 0.033412 O\n0.631347 0.623672 0.146847 O\n0.868652 0.853155 0.376329 O\n0.368653 0.376327 0.853154 O\n-0.092718 0.582829 0.700665 O\n0.092718 0.417171 0.299336 O\n0.407283 0.700664 0.582831 O\n0.351933 0.033412 0.239337 O\n0.592718 0.299337 0.417170 O\n0.131348 0.146845 0.623672 O\n0.148067 0.760664 0.966589 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Mg",
"Ti",
"Si",
"O"
],
"chemical_system": "Mg-O-Si-Ti",
"density": 3.572136966734214,
"density_atomic": 0.09589002928200278,
"volume": 208.57225876094003,
"volume_molar": 6.28025750444762,
"formula_full": "Mg2 Ti2 Si4 O12",
"formula_reduced": "MgTi(SiO3)2",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.5568675583333333,
"spacegroup": 15
},
{
"id": "jvasp-45361",
"created_at": "2022-09-04T14:37:10.029860Z",
"updated_at": "2022-09-04T14:37:10.029870Z",
"structure_string": "Er8 S12\n1.0\n0.000000 10.904230 0.011041\n3.885866 0.000000 0.000000\n0.000000 -3.606697 -10.577381\nEr S\n8 12\ndirect\n0.661004 0.250000 0.083343 Er\n0.338996 0.750001 0.916657 Er\n0.544104 0.250000 0.690790 Er\n0.455896 0.750001 0.309210 Er\n0.182211 0.250000 0.503250 Er\n0.817789 0.750001 0.496750 Er\n0.932250 0.250000 0.831683 Er\n0.067749 0.750001 0.168317 Er\n0.246098 0.250000 0.276851 S\n0.753902 0.750001 0.723149 S\n0.581708 0.750001 0.900970 S\n0.418291 0.250000 0.099030 S\n0.021084 0.750001 0.385787 S\n0.389184 0.750001 0.537054 S\n0.691736 0.750001 0.249404 S\n0.308264 0.250000 0.750596 S\n0.102607 0.750001 0.936960 S\n0.610816 0.250000 0.462946 S\n0.978916 0.250000 0.614214 S\n0.897392 0.250000 0.063040 S\n",
"nsites": 20,
"nelements": 2,
"elements": [
"Er",
"S"
],
"chemical_system": "Er-S",
"density": 6.385369993178528,
"density_atomic": 0.04463946632315495,
"volume": 448.0340301386129,
"volume_molar": 13.490619973824044,
"formula_full": "Er8 S12",
"formula_reduced": "Er2S3",
"formula_anonymous": "A2B3",
"energy_above_hull": 1.34624,
"spacegroup": 11
},
{
"id": "jvasp-45521",
"created_at": "2022-09-04T14:37:10.103157Z",
"updated_at": "2022-09-04T14:37:10.103170Z",
"structure_string": "Ca1 Ti4 Fe3 O12\n1.0\n6.117563 -0.000000 -2.162884\n-3.058782 5.297963 -2.162884\n0.000000 0.000000 6.488655\nCa Ti Fe O\n1 4 3 12\ndirect\n0.000000 0.000000 0.000000 Ca\n-0.000000 -0.000000 0.500001 Ti\n-0.000000 0.500000 0.000000 Ti\n0.500000 0.500000 0.500001 Ti\n0.500000 0.000000 0.000000 Ti\n0.500000 0.500000 0.000001 Fe\n-0.000000 0.500000 0.500000 Fe\n0.500000 -0.000000 0.500000 Fe\n0.182651 0.698107 0.880762 O\n0.484546 0.182652 0.301894 O\n0.698106 0.880759 0.182652 O\n0.817347 0.301892 0.119241 O\n0.698107 0.515454 0.817349 O\n0.119241 0.817348 0.301894 O\n0.182651 0.301892 0.484546 O\n0.880759 0.182652 0.698108 O\n0.817348 0.698107 0.515457 O\n0.515454 0.817348 0.698107 O\n0.301894 0.484545 0.182653 O\n0.301894 0.119240 0.817350 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Ca",
"Ti",
"Fe",
"O"
],
"chemical_system": "Ca-Fe-O-Ti",
"density": 4.667117681357606,
"density_atomic": 0.09510162565261117,
"volume": 210.3013472456963,
"volume_molar": 6.332321575656107,
"formula_full": "Ca1 Ti4 Fe3 O12",
"formula_reduced": "CaTi4(FeO4)3",
"formula_anonymous": "AB3C4D12",
"energy_above_hull": 3.2907581126666665,
"spacegroup": 204
},
{
"id": "jvasp-103798",
"created_at": "2022-09-04T14:37:10.136355Z",
"updated_at": "2022-09-04T14:37:10.136376Z",
"structure_string": "H8 C8 O4\n1.0\n4.852028 -0.000365 0.000010\n-0.000483 4.844444 -0.004847\n-0.000006 0.005896 7.015452\nH C O\n8 8 4\ndirect\n0.733603 0.102139 0.000245 H\n0.942101 0.017656 0.199148 H\n0.233590 0.381769 0.500217 H\n0.442059 0.466415 0.699131 H\n0.942079 0.517554 0.780755 H\n0.733607 0.602133 0.979669 H\n0.442080 0.966312 0.280742 H\n0.233587 0.881761 0.479646 H\n0.095818 0.864004 0.939139 C\n0.595800 0.120029 0.540752 C\n0.595808 0.620007 0.439131 C\n0.448109 0.893676 0.429954 C\n0.095827 0.364025 0.040753 C\n0.448105 0.393703 0.549920 C\n0.948126 0.090303 0.049937 C\n0.948123 0.590277 0.929964 C\n0.825013 0.090627 0.611962 O\n0.825032 0.590584 0.367940 O\n0.325050 0.393533 0.111944 O\n0.325033 0.893491 0.867930 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"H",
"C",
"O"
],
"chemical_system": "C-H-O",
"density": 1.6932233140657778,
"density_atomic": 0.12128490093582092,
"volume": 164.9009880511276,
"volume_molar": 4.965284807534842,
"formula_full": "H8 C8 O4",
"formula_reduced": "H2C2O",
"formula_anonymous": "AB2C2",
"energy_above_hull": 4.106598699999999,
"spacegroup": 33
},
{
"id": "jvasp-19024",
"created_at": "2022-09-04T14:37:10.143533Z",
"updated_at": "2022-09-04T14:37:10.143557Z",
"structure_string": "Mg6 Te2 O12\n1.0\n6.089003 0.006937 -0.084371\n-0.085643 6.088406 -0.084371\n0.006832 0.006936 6.089584\nMg Te O\n6 2 12\ndirect\n0.751570 0.936055 0.446354 Mg\n0.553646 0.248431 0.063946 Mg\n0.063947 0.553646 0.248430 Mg\n0.248430 0.063947 0.553645 Mg\n0.936053 0.446356 0.751570 Mg\n0.446354 0.751571 0.936053 Mg\n0.500000 0.500001 0.500000 Te\n0.000000 0.000000 0.000000 Te\n0.697601 0.929211 0.075149 O\n0.070791 0.924852 0.302399 O\n0.408153 0.544308 0.197068 O\n0.075149 0.697602 0.929209 O\n0.929209 0.075150 0.697601 O\n0.802932 0.591848 0.455692 O\n0.455692 0.802933 0.591847 O\n0.591846 0.455694 0.802931 O\n0.197068 0.408154 0.544307 O\n0.544307 0.197069 0.408153 O\n0.302399 0.070791 0.924850 O\n0.924851 0.302400 0.070790 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Mg",
"Te",
"O"
],
"chemical_system": "Mg-O-Te",
"density": 4.361766528430244,
"density_atomic": 0.08858739328585966,
"volume": 225.76575806291848,
"volume_molar": 6.797965869215,
"formula_full": "Mg6 Te2 O12",
"formula_reduced": "Mg3TeO6",
"formula_anonymous": "AB3C6",
"energy_above_hull": 1.3023995916666664,
"spacegroup": 148
}
]
}