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=400",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=spacegroup&page=398",
"results": [
{
"id": "jvasp-98811",
"created_at": "2022-09-04T14:35:51.481309Z",
"updated_at": "2022-09-04T14:35:51.481326Z",
"structure_string": "Mg10 Si12\n1.0\n14.240157 0.000000 -5.311450\n0.000000 4.070807 0.000000\n-0.001853 0.000000 6.938149\nMg Si\n10 12\ndirect\n0.000000 0.000000 -0.000001 Mg\n0.500000 0.500000 0.000001 Mg\n0.344807 0.000000 0.064611 Mg\n0.655194 0.000000 0.935391 Mg\n0.844806 0.500000 0.064609 Mg\n0.155194 0.500000 0.935389 Mg\n0.424465 0.000000 0.631857 Mg\n0.575536 0.000000 0.368146 Mg\n0.924465 0.500000 0.631855 Mg\n0.075535 0.500000 0.368143 Mg\n0.792436 0.000000 0.368527 Si\n0.207565 0.000000 0.631472 Si\n0.308207 0.500000 0.742675 Si\n0.691794 0.500000 0.257326 Si\n0.808207 0.000000 0.742675 Si\n0.057773 0.000000 0.671225 Si\n0.442227 0.500000 0.328775 Si\n0.557773 0.500000 0.671227 Si\n0.942227 0.000000 0.328774 Si\n0.707565 0.500000 0.631474 Si\n0.191794 0.000000 0.257325 Si\n0.292436 0.500000 0.368528 Si\n",
"nsites": 22,
"nelements": 2,
"elements": [
"Mg",
"Si"
],
"chemical_system": "Mg-Si",
"density": 2.395181052056545,
"density_atomic": 0.05470500138178264,
"volume": 402.1570138800186,
"volume_molar": 11.008391569121573,
"formula_full": "Mg10 Si12",
"formula_reduced": "Mg5Si6",
"formula_anonymous": "A5B6",
"energy_above_hull": 1.814884132467532,
"spacegroup": 12
},
{
"id": "jvasp-42229",
"created_at": "2022-09-04T14:35:51.531342Z",
"updated_at": "2022-09-04T14:35:51.531368Z",
"structure_string": "Y6 N2 O5\n1.0\n-4.764208 -0.000561 0.001763\n2.381429 5.404913 0.007178\n-0.002606 -1.117651 -7.501284\nY N O\n6 2 5\ndirect\n0.290632 0.581976 0.859313 Y\n0.564972 0.130664 0.714908 Y\n0.144738 0.290185 0.420151 Y\n0.854520 0.709757 0.576015 Y\n0.708634 0.417965 0.136853 Y\n0.434276 0.869276 0.281257 Y\n0.357039 0.714795 0.572480 N\n0.642216 0.285145 0.423686 N\n0.078727 0.158194 0.699959 O\n0.499609 -0.000029 0.998083 O\n0.771779 0.544253 0.852335 O\n0.920522 0.841748 0.296209 O\n0.227497 0.455688 0.143828 O\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Y",
"N",
"O"
],
"chemical_system": "N-O-Y",
"density": 5.515854582879939,
"density_atomic": 0.06732049494096573,
"volume": 193.10612632007354,
"volume_molar": 8.945479033214028,
"formula_full": "Y6 N2 O5",
"formula_reduced": "Y6N2O5",
"formula_anonymous": "A2B5C6",
"energy_above_hull": 3.5327059,
"spacegroup": 12
},
{
"id": "jvasp-97505",
"created_at": "2022-09-04T14:35:51.608924Z",
"updated_at": "2022-09-04T14:35:51.608954Z",
"structure_string": "V3 H4 O8\n1.0\n8.598914 1.721418 -1.589524\n-8.598914 1.721418 1.589524\n0.408746 0.000000 5.948921\nV H O\n3 4 8\ndirect\n0.000000 -0.000000 0.500000 V\n0.806721 0.193280 0.658143 V\n0.193280 0.806721 0.341857 V\n0.917585 0.082416 0.097963 H\n0.082416 0.917585 0.902037 H\n0.791187 0.208814 0.083740 H\n0.208814 0.791187 0.916260 H\n0.963665 0.036336 0.213182 O\n0.036336 0.963665 0.786818 O\n0.894638 0.105363 0.576179 O\n0.105363 0.894638 0.423821 O\n0.827204 0.172797 0.968604 O\n0.172798 0.827203 0.031396 O\n0.739706 0.260295 0.356481 O\n0.260295 0.739706 0.643519 O\n",
"nsites": 15,
"nelements": 3,
"elements": [
"V",
"H",
"O"
],
"chemical_system": "H-O-V",
"density": 2.6520893692317107,
"density_atomic": 0.08410307337971325,
"volume": 178.35257853511683,
"volume_molar": 7.16042888564952,
"formula_full": "V3 H4 O8",
"formula_reduced": "V3(HO2)4",
"formula_anonymous": "A3B4C8",
"energy_above_hull": 3.4189547066666663,
"spacegroup": 12
},
{
"id": "jvasp-3537",
"created_at": "2022-09-04T14:35:51.653750Z",
"updated_at": "2022-09-04T14:35:51.653762Z",
"structure_string": "Te2 Rh2 Cl2\n1.0\n3.576688 0.000000 -1.004082\n-0.878635 5.875399 -3.129831\n-0.024901 -0.036807 6.783689\nTe Rh Cl\n2 2 2\ndirect\n0.868277 0.537073 0.736556 Te\n0.131722 0.462927 0.263445 Te\n0.251384 0.247080 0.502768 Rh\n0.748615 0.752920 0.497232 Rh\n0.369006 0.037652 0.738012 Cl\n0.630993 0.962347 0.261988 Cl\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Te",
"Rh",
"Cl"
],
"chemical_system": "Cl-Rh-Te",
"density": 6.221771774191734,
"density_atomic": 0.042264171380564076,
"volume": 141.96421706635437,
"volume_molar": 14.248808300946337,
"formula_full": "Te2 Rh2 Cl2",
"formula_reduced": "TeRhCl",
"formula_anonymous": "ABC",
"energy_above_hull": 0.9788716113888888,
"spacegroup": 12
},
{
"id": "jvasp-90341",
"created_at": "2022-09-04T14:35:51.659441Z",
"updated_at": "2022-09-04T14:35:51.659459Z",
"structure_string": "Dy3 Co2 Ge4\n1.0\n0.000000 -4.146383 -0.000000\n-5.072929 2.073192 1.617410\n0.025526 -0.000000 -8.015071\nDy Co Ge\n3 2 4\ndirect\n0.376175 0.752350 0.307243 Dy\n0.623825 0.247650 0.692757 Dy\n0.000000 0.000000 0.000000 Dy\n0.307000 0.613999 0.626821 Co\n0.692999 0.386000 0.373179 Co\n0.096732 0.193463 0.397129 Ge\n0.903268 0.806536 0.602870 Ge\n0.706752 0.413506 0.080900 Ge\n0.293247 0.586493 0.919100 Ge\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Dy",
"Co",
"Ge"
],
"chemical_system": "Co-Dy-Ge",
"density": 8.83338297250368,
"density_atomic": 0.05343774737923386,
"volume": 168.42027296041,
"volume_molar": 11.269451006724566,
"formula_full": "Dy3 Co2 Ge4",
"formula_reduced": "Dy3(CoGe2)2",
"formula_anonymous": "A2B3C4",
"energy_above_hull": 1.7594216777777778,
"spacegroup": 12
},
{
"id": "jvasp-3843",
"created_at": "2022-09-04T14:35:51.721699Z",
"updated_at": "2022-09-04T14:35:51.721712Z",
"structure_string": "K2 Tl2 O2\n1.0\n3.520590 0.000000 -0.990525\n-0.493436 6.007240 -1.753804\n-0.020774 -0.042956 6.677981\nK Tl O\n2 2 2\ndirect\n0.130219 0.345788 0.260436 K\n0.869782 0.654211 0.739563 K\n0.634245 0.846282 0.268490 Tl\n0.365755 0.153718 0.731509 Tl\n0.750677 0.220814 0.501352 O\n0.249323 0.779186 0.498648 O\n",
"nsites": 6,
"nelements": 3,
"elements": [
"K",
"Tl",
"O"
],
"chemical_system": "K-O-Tl",
"density": 6.119432240730602,
"density_atomic": 0.04260668296063741,
"volume": 140.8229785346857,
"volume_molar": 14.134263316305596,
"formula_full": "K2 Tl2 O2",
"formula_reduced": "KTlO",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0,
"spacegroup": 12
},
{
"id": "jvasp-42597",
"created_at": "2022-09-04T14:35:51.733840Z",
"updated_at": "2022-09-04T14:35:51.733870Z",
"structure_string": "Li1 V1 F4\n1.0\n3.412970 0.415622 0.144222\n-0.993704 4.726501 1.152728\n-0.003787 -1.054125 3.284632\nLi V F\n1 1 4\ndirect\n0.521082 0.499630 0.500579 Li\n0.020468 0.000009 -0.000119 V\n0.494246 0.763310 -0.026065 F\n-0.006344 0.763583 0.474790 F\n0.546754 0.236869 0.025806 F\n0.047285 0.236599 0.525010 F\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Li",
"V",
"F"
],
"chemical_system": "F-Li-V",
"density": 3.7909543068587954,
"density_atomic": 0.10231695549433975,
"volume": 58.64130701515962,
"volume_molar": 5.8857700865944445,
"formula_full": "Li1 V1 F4",
"formula_reduced": "LiVF4",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.330737555,
"spacegroup": 12
},
{
"id": "jvasp-95023",
"created_at": "2022-09-04T14:35:51.752237Z",
"updated_at": "2022-09-04T14:35:51.752262Z",
"structure_string": "V3 Te4\n1.0\n-0.000000 3.961116 -0.000000\n0.027165 -0.000000 6.889672\n6.208270 -1.980558 -3.283276\nV Te\n3 4\ndirect\n0.000000 0.000000 0.000000 V\n0.743921 0.709350 0.487840 V\n0.256079 0.290649 0.512159 V\n0.635310 0.974047 0.270620 Te\n0.364690 0.025952 0.729379 Te\n0.887857 0.547801 0.775715 Te\n0.112143 0.452197 0.224285 Te\n",
"nsites": 7,
"nelements": 2,
"elements": [
"V",
"Te"
],
"chemical_system": "Te-V",
"density": 6.486617750585359,
"density_atomic": 0.041229368961320546,
"volume": 169.78188549446563,
"volume_molar": 14.606434470655346,
"formula_full": "V3 Te4",
"formula_reduced": "V3Te4",
"formula_anonymous": "A3B4",
"energy_above_hull": 2.682769095238095,
"spacegroup": 12
},
{
"id": "jvasp-15607",
"created_at": "2022-09-04T14:35:52.001652Z",
"updated_at": "2022-09-04T14:35:52.001665Z",
"structure_string": "U1 Ni2 Ge2\n1.0\n3.823508 0.000000 -1.521794\n-0.586081 3.817749 -1.472528\n-0.048229 0.019856 5.443003\nU Ni Ge\n1 2 2\ndirect\n0.000000 0.000000 0.000000 U\n0.758696 0.195579 0.517391 Ni\n0.241304 0.804422 0.482609 Ni\n0.630922 0.578959 0.261842 Ge\n0.369079 0.421042 0.738158 Ge\n",
"nsites": 5,
"nelements": 3,
"elements": [
"U",
"Ni",
"Ge"
],
"chemical_system": "Ge-Ni-U",
"density": 10.484302297450945,
"density_atomic": 0.0630502148974475,
"volume": 79.30187086804708,
"volume_molar": 9.551340577974457,
"formula_full": "U1 Ni2 Ge2",
"formula_reduced": "U(NiGe)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.98228654,
"spacegroup": 12
},
{
"id": "jvasp-98642",
"created_at": "2022-09-04T14:35:52.011345Z",
"updated_at": "2022-09-04T14:35:52.011363Z",
"structure_string": "Na6 Ga2 P4 H4 O18\n1.0\n7.677393 3.590018 -0.867649\n-7.677393 3.590018 0.867649\n0.020146 -0.000000 7.036580\nNa Ga P H O\n6 2 4 4 18\ndirect\n0.234250 0.234250 -0.000000 Na\n0.765750 0.765750 0.000000 Na\n0.386679 0.613322 0.288456 Na\n0.613322 0.386679 0.711544 Na\n0.000000 0.500000 0.500000 Na\n0.500000 0.000000 0.500000 Na\n0.000000 0.500000 0.000000 Ga\n0.500000 0.000000 -0.000000 Ga\n0.881474 0.118527 0.300773 P\n0.118527 0.881473 0.699227 P\n0.619271 0.380730 0.226740 P\n0.380730 0.619271 0.773261 P\n0.942331 0.057670 0.611930 H\n0.057670 0.942331 0.388070 H\n0.812252 0.187749 0.813792 H\n0.187749 0.812251 0.186208 H\n0.651691 0.991252 0.237879 O\n0.116541 0.883459 0.470315 O\n0.883459 0.116541 0.529685 O\n0.026561 0.973440 0.760958 O\n0.973440 0.026560 0.239042 O\n0.348310 0.008748 0.762121 O\n0.991253 0.651691 0.762121 O\n0.008748 0.348309 0.237879 O\n0.520466 0.479535 0.219802 O\n0.176380 0.467604 0.886061 O\n0.467604 0.176380 0.113939 O\n0.823621 0.532397 0.113939 O\n0.332929 0.667071 0.571232 O\n0.667071 0.332929 0.428768 O\n0.479535 0.520466 0.780199 O\n0.759471 0.240529 0.878970 O\n0.532397 0.823620 0.886061 O\n0.240530 0.759471 0.121030 O\n",
"nsites": 34,
"nelements": 5,
"elements": [
"Na",
"Ga",
"P",
"H",
"O"
],
"chemical_system": "Ga-H-Na-O-P",
"density": 2.9670725531530495,
"density_atomic": 0.08762668754468603,
"volume": 388.00964583605185,
"volume_molar": 6.8724961866542715,
"formula_full": "Na6 Ga2 P4 H4 O18",
"formula_reduced": "Na3GaP2H2O9",
"formula_anonymous": "AB2C2D3E9",
"energy_above_hull": 2.103684225,
"spacegroup": 12
},
{
"id": "jvasp-98504",
"created_at": "2022-09-04T14:35:52.031220Z",
"updated_at": "2022-09-04T14:35:52.031255Z",
"structure_string": "Mn6 Se6 O20\n1.0\n6.465604 0.000000 2.381019\n2.351568 6.920461 3.583478\n0.165730 -0.135313 9.519075\nMn Se O\n6 6 20\ndirect\n0.000001 0.499999 0.000000 Mn\n0.500001 0.499999 0.000000 Mn\n0.621749 0.839970 0.916532 Mn\n0.378250 0.160031 0.083467 Mn\n-0.000000 0.000001 0.500000 Mn\n0.500000 0.000001 0.500000 Mn\n0.882650 0.071327 0.163372 Se\n0.872345 0.585503 0.669806 Se\n0.127655 0.414498 0.330193 Se\n0.519361 0.296950 0.664329 Se\n0.480639 0.703051 0.335671 Se\n0.117350 0.928673 0.836628 Se\n0.937774 0.501850 0.215272 O\n0.062225 0.498151 0.784727 O\n0.654895 0.498151 0.784727 O\n0.345105 0.501850 0.215273 O\n0.704768 0.574719 0.015743 O\n0.397542 0.214614 0.588709 O\n0.200865 0.785386 0.411291 O\n0.947437 0.784181 0.925162 O\n0.656781 0.215819 0.074838 O\n0.052563 0.215819 0.074838 O\n0.343218 0.784181 0.925161 O\n0.491045 0.879507 0.138406 O\n0.508957 0.120493 0.861593 O\n0.748319 0.830006 0.673354 O\n0.251680 0.169995 0.326646 O\n0.221668 0.910622 0.646042 O\n0.778331 0.089378 0.353959 O\n0.295231 0.425281 0.984256 O\n0.799134 0.214614 0.588709 O\n0.602458 0.785386 0.411292 O\n",
"nsites": 32,
"nelements": 3,
"elements": [
"Mn",
"Se",
"O"
],
"chemical_system": "Mn-O-Se",
"density": 4.383246895671879,
"density_atomic": 0.07519198831056999,
"volume": 425.5772552233687,
"volume_molar": 8.00901917252991,
"formula_full": "Mn6 Se6 O20",
"formula_reduced": "Mn3Se3O10",
"formula_anonymous": "A3B3C10",
"energy_above_hull": 3.1224185515086207,
"spacegroup": 12
},
{
"id": "jvasp-1423",
"created_at": "2022-09-04T14:35:52.036521Z",
"updated_at": "2022-09-04T14:35:52.036534Z",
"structure_string": "Au2 Se2\n1.0\n3.740361 0.000000 0.000000\n-1.870180 3.992624 -1.166465\n0.000000 0.016291 6.469971\nAu Se\n2 2\ndirect\n0.500000 -0.000000 0.500000 Au\n0.000000 0.000000 0.000000 Au\n0.840643 0.681285 0.267568 Se\n0.159357 0.318713 0.732432 Se\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Au",
"Se"
],
"chemical_system": "Au-Se",
"density": 9.477176845399002,
"density_atomic": 0.04136817501625132,
"volume": 96.69268703365852,
"volume_molar": 14.55742429448296,
"formula_full": "Au2 Se2",
"formula_reduced": "AuSe",
"formula_anonymous": "AB",
"energy_above_hull": 0.5687704683333332,
"spacegroup": 12
}
]
}