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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_anonymous&page=4614",
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"results": [
{
"id": "jvasp-9981",
"created_at": "2022-09-04T14:37:14.190323Z",
"updated_at": "2022-09-04T14:37:14.190342Z",
"structure_string": "Na2 Ge2 Sb2 O10\n1.0\n5.459699 -0.019285 -1.412125\n-1.973141 5.090717 -1.412125\n0.007782 0.011319 7.304916\nNa Ge Sb O\n2 2 2 10\ndirect\n0.334646 0.665355 0.750000 Na\n0.665355 0.334647 0.250000 Na\n0.313456 0.686545 0.250000 Ge\n0.686544 0.313457 0.750000 Ge\n-0.000000 0.000000 0.500000 Sb\n0.000000 0.000000 0.000000 Sb\n0.081531 0.918470 0.750000 O\n0.918470 0.081532 0.250000 O\n0.087325 0.684305 0.382427 O\n0.315696 0.912676 0.117572 O\n0.912675 0.315696 0.617573 O\n0.684305 0.087326 0.882427 O\n0.373400 0.246215 0.573783 O\n0.753786 0.626601 0.926217 O\n0.626601 0.753787 0.426217 O\n0.246215 0.373400 0.073782 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
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"Sb",
"O"
],
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"density": 4.866965277880091,
"density_atomic": 0.0788456058311302,
"volume": 202.92823970772005,
"volume_molar": 7.637890148118196,
"formula_full": "Na2 Ge2 Sb2 O10",
"formula_reduced": "NaGeSbO5",
"formula_anonymous": "ABCD5",
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"spacegroup": 15
},
{
"id": "jvasp-9511",
"created_at": "2022-09-04T14:37:09.123380Z",
"updated_at": "2022-09-04T14:37:09.123408Z",
"structure_string": "Mg2 Mn2 Si2 O10\n1.0\n5.044609 -0.288418 0.110981\n-1.483172 5.169285 -0.047282\n-1.486825 -2.257822 6.219795\nMg Mn Si O\n2 2 2 10\ndirect\n0.356522 0.217855 0.771505 Mg\n0.642545 0.783083 0.241251 Mg\n-0.000481 0.500490 0.506472 Mn\n-0.000464 0.500483 0.006466 Mn\n0.693223 0.822481 0.748228 Si\n0.305834 0.178517 0.264696 Si\n0.699687 0.636157 0.909889 O\n0.983671 0.855418 0.661815 O\n0.299371 0.364850 0.103046 O\n0.015378 0.145560 0.351114 O\n0.593432 0.294640 0.477032 O\n0.300476 0.872673 0.126214 O\n0.405586 0.706356 0.535930 O\n0.698584 0.128327 0.886713 O\n0.888292 0.558942 0.255056 O\n0.110756 0.442015 0.757872 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Mg",
"Mn",
"Si",
"O"
],
"chemical_system": "Mg-Mn-O-Si",
"density": 3.883440152341981,
"density_atomic": 0.09987585297465404,
"volume": 160.19888214682277,
"volume_molar": 6.029626361767611,
"formula_full": "Mg2 Mn2 Si2 O10",
"formula_reduced": "MgMnSiO5",
"formula_anonymous": "ABCD5",
"energy_above_hull": 2.389649048922413,
"spacegroup": 2
},
{
"id": "jvasp-9520",
"created_at": "2022-09-04T14:37:11.090801Z",
"updated_at": "2022-09-04T14:37:11.090811Z",
"structure_string": "Mg2 Ni2 P2 O10\n1.0\n5.260443 -0.144592 0.410557\n-1.417056 5.128393 -0.070905\n-1.082326 -1.968729 5.941767\nMg Ni P O\n2 2 2 10\ndirect\n0.886534 0.725582 0.258560 Mg\n0.114655 0.277053 0.727687 Mg\n0.500593 0.001336 0.493147 Ni\n0.500577 0.001326 -0.006853 Ni\n0.237754 0.354866 0.238955 P\n0.763432 0.647812 0.747326 P\n0.523496 0.371403 0.179812 O\n0.180618 0.154418 0.385872 O\n0.477697 0.631255 0.806490 O\n0.820536 0.848220 0.600380 O\n0.775730 0.362936 0.604069 O\n-0.026854 0.734057 0.955056 O\n0.225464 0.639729 0.382256 O\n0.028068 0.268712 0.031223 O\n0.385335 0.076534 0.757532 O\n0.615849 0.926128 0.228761 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Mg",
"Ni",
"P",
"O"
],
"chemical_system": "Mg-Ni-O-P",
"density": 3.9824576989712215,
"density_atomic": 0.09891436595364943,
"volume": 161.75607906638643,
"volume_molar": 6.088236730771678,
"formula_full": "Mg2 Ni2 P2 O10",
"formula_reduced": "MgNiPO5",
"formula_anonymous": "ABCD5",
"energy_above_hull": 1.95615930625,
"spacegroup": 2
},
{
"id": "jvasp-9501",
"created_at": "2022-09-04T14:37:09.545926Z",
"updated_at": "2022-09-04T14:37:09.545942Z",
"structure_string": "Zn2 Cr2 Si2 O10\n1.0\n5.163559 -0.063407 -0.041709\n-1.225568 5.275725 -0.007075\n-1.835678 -2.374026 6.310064\nZn Cr Si O\n2 2 2 10\ndirect\n0.306311 0.174367 0.794119 Zn\n0.702183 0.815493 0.234959 Zn\n0.004252 0.494918 0.514559 Cr\n0.004248 0.494925 0.014562 Cr\n0.690238 0.831573 0.752487 Si\n0.318267 0.158276 0.276623 Si\n0.742140 0.689270 0.933102 O\n0.947965 0.842619 0.652534 O\n0.266349 0.300582 0.096010 O\n0.060551 0.147213 0.376591 O\n0.629111 0.304879 0.466906 O\n0.323092 0.846224 0.165067 O\n0.379402 0.684940 0.562202 O\n0.685390 0.143623 0.864030 O\n0.896677 0.543878 0.254174 O\n0.111804 0.445963 0.774944 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Zn",
"Cr",
"Si",
"O"
],
"chemical_system": "Cr-O-Si-Zn",
"density": 4.384629399906571,
"density_atomic": 0.09368091348986521,
"volume": 170.79252756999372,
"volume_molar": 6.428354011141769,
"formula_full": "Zn2 Cr2 Si2 O10",
"formula_reduced": "ZnCrSiO5",
"formula_anonymous": "ABCD5",
"energy_above_hull": 2.4024892375,
"spacegroup": 2
},
{
"id": "jvasp-9503",
"created_at": "2022-09-04T14:37:11.441679Z",
"updated_at": "2022-09-04T14:37:11.441707Z",
"structure_string": "Mg2 Co2 P2 O10\n1.0\n5.420128 -0.237313 -0.100810\n-1.427334 4.899628 0.274326\n-1.677044 -1.599404 6.012222\nMg Co P O\n2 2 2 10\ndirect\n0.776413 0.618920 0.224355 Mg\n0.233718 0.372575 0.746546 Mg\n0.505067 0.995733 0.485440 Co\n0.505095 0.995755 0.985435 Co\n0.158783 0.283033 0.240242 P\n0.851378 0.708468 0.730655 P\n0.350481 0.325458 0.093494 O\n0.132230 -0.008130 0.305788 O\n0.659684 0.666047 0.877405 O\n0.877909 0.999621 0.665094 O\n0.750110 0.475452 0.518822 O\n0.132815 0.702026 0.867646 O\n0.260075 0.516042 0.452082 O\n0.877362 0.289504 0.103252 O\n0.435793 0.101328 0.728117 O\n0.574364 0.890198 0.242758 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Mg",
"Co",
"P",
"O"
],
"chemical_system": "Co-Mg-O-P",
"density": 4.055054850416699,
"density_atomic": 0.10059314043757177,
"volume": 159.05657115784769,
"volume_molar": 5.986631626971969,
"formula_full": "Mg2 Co2 P2 O10",
"formula_reduced": "MgCoPO5",
"formula_anonymous": "ABCD5",
"energy_above_hull": 2.27591286875,
"spacegroup": 2
},
{
"id": "jvasp-9528",
"created_at": "2022-09-04T14:37:19.917149Z",
"updated_at": "2022-09-04T14:37:19.917172Z",
"structure_string": "Mg2 V2 S2 F10\n1.0\n5.483254 0.071706 -0.020366\n-1.001423 6.048677 0.140537\n-1.598826 -2.124742 6.795691\nMg V S F\n2 2 2 10\ndirect\n0.390946 0.589800 0.681264 Mg\n0.632302 0.464970 0.236575 Mg\n0.513202 0.954169 0.446009 V\n0.960614 0.370855 0.933435 V\n0.922459 0.069744 0.716088 S\n0.102274 0.006675 0.336458 S\n0.271905 0.346194 0.091048 F\n0.574571 0.640702 0.480817 F\n0.972170 0.634048 0.216633 F\n0.181591 0.317476 0.462960 F\n0.629016 0.235337 0.402690 F\n0.747757 0.229586 0.064278 F\n0.392562 0.907615 0.669802 F\n0.148869 0.589072 0.838170 F\n0.528241 0.789244 0.204300 F\n0.661742 0.487519 0.833226 F\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Mg",
"V",
"S",
"F"
],
"chemical_system": "F-Mg-S-V",
"density": 2.9564044518881554,
"density_atomic": 0.07040464391696982,
"volume": 227.25773627758488,
"volume_molar": 8.553612979141091,
"formula_full": "Mg2 V2 S2 F10",
"formula_reduced": "MgVSF5",
"formula_anonymous": "ABCD5",
"energy_above_hull": 0.3497630828125,
"spacegroup": 1
},
{
"id": "jvasp-9519",
"created_at": "2022-09-04T14:37:19.130169Z",
"updated_at": "2022-09-04T14:37:19.130197Z",
"structure_string": "Mg2 Si2 Ni2 O10\n1.0\n4.978610 -0.295159 0.155775\n-1.553098 5.162724 -0.038385\n-1.386975 -2.292177 6.116210\nMg Si Ni O\n2 2 2 10\ndirect\n0.869583 0.720546 0.246794 Mg\n0.136159 0.284098 0.739040 Mg\n0.196966 0.322670 0.236452 Si\n0.808776 0.681979 0.749395 Si\n0.502874 0.002325 0.492926 Ni\n0.502875 0.002330 0.992926 Ni\n0.490473 0.355341 0.142907 O\n0.202439 0.140389 0.401284 O\n0.515269 0.649310 0.842938 O\n0.803304 0.864261 0.584560 O\n0.802438 0.373114 0.615706 O\n0.092128 0.793900 0.970175 O\n0.203305 0.631538 0.370138 O\n0.913614 0.210743 0.015670 O\n0.374609 0.050729 0.740170 O\n0.631140 0.953925 0.245679 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Mg",
"Si",
"Ni",
"O"
],
"chemical_system": "Mg-Ni-O-Si",
"density": 4.077883961221881,
"density_atomic": 0.10281547229853379,
"volume": 155.61860138659472,
"volume_molar": 5.857232015152528,
"formula_full": "Mg2 Si2 Ni2 O10",
"formula_reduced": "MgSiNiO5",
"formula_anonymous": "ABCD5",
"energy_above_hull": 1.97698719375,
"spacegroup": 2
},
{
"id": "jvasp-9526",
"created_at": "2022-09-04T14:37:18.819137Z",
"updated_at": "2022-09-04T14:37:18.819164Z",
"structure_string": "Zn2 Cr2 S2 F10\n1.0\n5.970665 -1.105257 0.080465\n0.614326 6.799544 1.162688\n1.889676 2.109252 6.592397\nZn Cr S F\n2 2 2 10\ndirect\n0.527563 0.347278 0.859624 Zn\n0.127411 -0.012986 0.475416 Zn\n0.043869 0.479792 0.454361 Cr\n0.029557 0.462118 -0.030769 Cr\n0.341154 0.045320 0.843124 S\n0.461595 0.144291 0.532629 S\n0.115158 0.192619 0.160724 F\n-0.073368 0.172191 0.555780 F\n0.955129 0.729019 0.772441 F\n0.187004 0.781215 0.359007 F\n0.339679 0.444040 0.344439 F\n0.706463 0.312541 0.065522 F\n0.749018 0.529373 0.560714 F\n0.358873 0.582249 0.855790 F\n0.982112 0.563906 0.178894 F\n0.080800 0.376260 0.745185 F\n",
"nsites": 16,
"nelements": 4,
"elements": [
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"Cr",
"S",
"F"
],
"chemical_system": "Cr-F-S-Zn",
"density": 3.1949540350925094,
"density_atomic": 0.06296423590706764,
"volume": 254.11250957790193,
"volume_molar": 9.564383134718586,
"formula_full": "Zn2 Cr2 S2 F10",
"formula_reduced": "ZnCrSF5",
"formula_anonymous": "ABCD5",
"energy_above_hull": 0.3693286515625,
"spacegroup": 1
},
{
"id": "jvasp-55008",
"created_at": "2022-09-04T14:37:30.360196Z",
"updated_at": "2022-09-04T14:37:30.360213Z",
"structure_string": "K2 Ti2 P2 Se10\n1.0\n6.553757 0.005552 -0.848917\n-0.360892 6.851276 -2.741332\n0.010767 -0.008414 9.933503\nK Ti P Se\n2 2 2 10\ndirect\n0.764954 0.268117 0.536232 K\n0.235047 0.731884 0.463768 K\n0.000000 0.723927 0.000000 Ti\n0.000000 0.276073 0.000000 Ti\n0.214419 0.137942 0.275882 P\n0.785582 0.862059 0.724118 P\n0.117588 0.914417 0.828834 Se\n0.187897 0.438223 0.876443 Se\n0.660597 0.156368 0.827703 Se\n0.882413 0.085584 0.171166 Se\n0.339404 0.843633 0.172297 Se\n0.660597 0.671336 0.827703 Se\n0.812104 0.561778 0.123557 Se\n0.257722 0.257260 0.514517 Se\n0.339404 0.328665 0.172297 Se\n0.742280 0.742741 0.485483 Se\n",
"nsites": 16,
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"elements": [
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],
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"density": 3.818394375842844,
"density_atomic": 0.03587775556131045,
"volume": 445.958777233377,
"volume_molar": 16.785165810355497,
"formula_full": "K2 Ti2 P2 Se10",
"formula_reduced": "KTiPSe5",
"formula_anonymous": "ABCD5",
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"spacegroup": 12
},
{
"id": "jvasp-55545",
"created_at": "2022-09-04T14:37:11.676338Z",
"updated_at": "2022-09-04T14:37:11.676367Z",
"structure_string": "B3 P3 Pb3 O15\n1.0\n3.474778 -6.018493 0.000000\n3.474778 6.018493 -0.000000\n0.000000 0.000000 6.912984\nB P Pb O\n3 3 3 15\ndirect\n0.098541 0.098541 0.000000 B\n0.000000 0.901459 0.666667 B\n0.901459 0.000000 0.333333 B\n0.597444 0.597444 0.500000 P\n0.000000 0.402557 0.166667 P\n0.402557 0.000000 0.833333 P\n0.608978 0.608978 0.000000 Pb\n0.000000 0.391022 0.666667 Pb\n0.391022 0.000000 0.333333 Pb\n0.446531 0.862875 0.978221 O\n0.148209 0.334095 0.040144 O\n0.665905 0.814114 0.373477 O\n0.185887 0.851791 0.706810 O\n0.814114 0.665905 0.626523 O\n0.851791 0.185887 0.293190 O\n0.583657 0.137125 0.688446 O\n0.043285 0.043285 0.500000 O\n0.000000 0.956715 0.166667 O\n0.956715 0.000000 0.833333 O\n0.137125 0.583657 0.311554 O\n0.553470 0.416343 0.355112 O\n0.862875 0.446531 0.021779 O\n0.334095 0.148209 0.959855 O\n0.416343 0.553470 0.644888 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
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"P",
"Pb",
"O"
],
"chemical_system": "B-O-P-Pb",
"density": 5.668025614345205,
"density_atomic": 0.08300435351834043,
"volume": 289.1414604499874,
"volume_molar": 7.255210726590821,
"formula_full": "B3 P3 Pb3 O15",
"formula_reduced": "BPPbO5",
"formula_anonymous": "ABCD5",
"energy_above_hull": 2.5962220504166664,
"spacegroup": 152
},
{
"id": "jvasp-9973",
"created_at": "2022-09-04T14:37:19.574684Z",
"updated_at": "2022-09-04T14:37:19.574699Z",
"structure_string": "Li2 Ta2 Ge2 O10\n1.0\n5.263670 0.023819 -1.892107\n-1.057642 5.156373 -1.892107\n-0.011963 -0.014733 7.553262\nLi Ta Ge O\n2 2 2 10\ndirect\n0.693513 0.306487 0.250000 Li\n0.306488 0.693513 0.750000 Li\n0.000000 0.000000 0.000000 Ta\n0.000000 0.000000 0.500000 Ta\n0.637049 0.362952 0.750000 Ge\n0.362952 0.637049 0.250000 Ge\n0.755998 0.233892 0.554670 O\n0.244003 0.766108 0.445330 O\n0.233892 0.755997 0.054670 O\n0.309414 0.293448 0.152896 O\n0.932728 0.067272 0.250000 O\n0.067273 0.932728 0.750000 O\n0.706552 0.690586 0.347104 O\n0.293449 0.309414 0.652896 O\n0.690587 0.706552 0.847104 O\n0.766109 0.244003 0.945330 O\n",
"nsites": 16,
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"elements": [
"Li",
"Ta",
"Ge",
"O"
],
"chemical_system": "Ge-Li-O-Ta",
"density": 5.519224474460357,
"density_atomic": 0.07808521732967486,
"volume": 204.90434101563923,
"volume_molar": 7.7122673995701305,
"formula_full": "Li2 Ta2 Ge2 O10",
"formula_reduced": "LiTaGeO5",
"formula_anonymous": "ABCD5",
"energy_above_hull": 2.64134033125,
"spacegroup": 15
},
{
"id": "jvasp-111769",
"created_at": "2022-09-04T14:38:52.874235Z",
"updated_at": "2022-09-04T14:38:52.874254Z",
"structure_string": "Ti2 Al2 Fe2 O10\n1.0\n5.078919 0.030070 0.000000\n-3.757430 3.417316 -0.000000\n0.000000 0.000000 9.598059\nTi Al Fe O\n2 2 2 10\ndirect\n0.125774 0.874228 0.059995 Ti\n0.874227 0.125774 0.559995 Ti\n0.803133 0.196868 0.253027 Al\n0.196868 0.803133 0.753027 Al\n0.856837 0.143163 0.937538 Fe\n0.143164 0.856838 0.437538 Fe\n0.687546 0.312455 0.422918 O\n0.316838 0.683164 0.577907 O\n0.683163 0.316838 0.077907 O\n0.312455 0.687546 0.922918 O\n0.952162 0.047838 0.379618 O\n0.058229 0.941773 0.617136 O\n0.941772 0.058229 0.117136 O\n0.047839 0.952163 0.879618 O\n0.247948 0.752053 0.251860 O\n0.752053 0.247948 0.751860 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
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"Fe",
"O"
],
"chemical_system": "Al-Fe-O-Ti",
"density": 4.173171907479223,
"density_atomic": 0.095424991812907,
"volume": 167.6709601544432,
"volume_molar": 6.310863271340052,
"formula_full": "Ti2 Al2 Fe2 O10",
"formula_reduced": "TiAlFeO5",
"formula_anonymous": "ABCD5",
"energy_above_hull": 2.7348805166666668,
"spacegroup": 36
}
]
}