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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_anonymous&page=1174",
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"results": [
{
"id": "jvasp-24360",
"created_at": "2022-09-04T14:38:31.788799Z",
"updated_at": "2022-09-04T14:38:31.788815Z",
"structure_string": "Rb4 Mn2 P4 S12\n1.0\n0.000000 6.153465 0.003002\n12.285669 0.000000 0.000000\n0.000000 -5.101223 -7.404974\nRb Mn P S\n4 2 4 12\ndirect\n0.203539 0.324671 0.473897 Rb\n0.796460 0.675329 0.526103 Rb\n0.796460 0.824671 0.026103 Rb\n0.203539 0.175329 0.973897 Rb\n0.500000 0.500000 0.000000 Mn\n0.500000 0.000000 0.500000 Mn\n0.841468 0.459042 0.871606 P\n0.841468 0.040958 0.371606 P\n0.158532 0.959042 0.628394 P\n0.158532 0.540958 0.128394 P\n0.722264 0.169425 0.452759 S\n0.971211 0.576549 0.249111 S\n0.541970 0.569800 0.744118 S\n0.458030 0.430200 0.255882 S\n0.722264 0.330575 0.952759 S\n0.028788 0.076549 0.250889 S\n0.971211 0.923451 0.749110 S\n0.458030 0.069800 0.755882 S\n0.277735 0.669425 0.047241 S\n0.541970 0.930200 0.244118 S\n0.028788 0.423451 0.750889 S\n0.277735 0.830575 0.547240 S\n",
"nsites": 22,
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"elements": [
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"P",
"S"
],
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"density": 2.8498056869774624,
"density_atomic": 0.039312130390522705,
"volume": 559.6237034588113,
"volume_molar": 15.318785067552094,
"formula_full": "Rb4 Mn2 P4 S12",
"formula_reduced": "Rb2Mn(PS3)2",
"formula_anonymous": "AB2C2D6",
"energy_above_hull": 2.094974385579937,
"spacegroup": 14
},
{
"id": "jvasp-111927",
"created_at": "2022-09-04T14:38:42.570726Z",
"updated_at": "2022-09-04T14:38:42.570753Z",
"structure_string": "Li4 Si4 Ni2 O12\n1.0\n4.656917 0.000000 0.000000\n0.000000 5.318425 0.274083\n0.000000 0.137835 9.539309\nLi Si Ni O\n4 4 2 12\ndirect\n0.195900 0.670559 0.674598 Li\n0.708173 0.839120 0.517845 Li\n0.208172 0.160878 0.482155 Li\n0.695900 0.329439 0.325402 Li\n0.218730 0.134332 0.824587 Si\n0.715339 0.309601 0.656737 Si\n0.215339 0.690397 0.343263 Si\n0.718730 0.865666 0.175413 Si\n0.620390 0.618092 0.889107 Ni\n0.120390 0.381906 0.110893 Ni\n0.368331 0.850802 0.206325 O\n0.857567 0.728432 0.325953 O\n0.278750 0.394977 0.318976 O\n0.301326 0.802076 0.490095 O\n0.801326 0.197923 0.509905 O\n0.323352 0.328970 0.941501 O\n0.357566 0.271566 0.674047 O\n0.868331 0.149196 0.793675 O\n0.307847 0.842823 0.838203 O\n0.807847 0.157175 0.161797 O\n0.778750 0.605021 0.681023 O\n0.823353 0.671028 0.058499 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Li",
"Si",
"Ni",
"O"
],
"chemical_system": "Li-Ni-O-Si",
"density": 3.16147634602758,
"density_atomic": 0.09318537069461078,
"volume": 236.0885602107964,
"volume_molar": 6.462538824614323,
"formula_full": "Li4 Si4 Ni2 O12",
"formula_reduced": "Li2Si2NiO6",
"formula_anonymous": "AB2C2D6",
"energy_above_hull": 2.338239145454545,
"spacegroup": 4
},
{
"id": "jvasp-119651",
"created_at": "2022-09-04T14:38:36.579903Z",
"updated_at": "2022-09-04T14:38:36.579929Z",
"structure_string": "Na4 Nd4 Pt2 O12\n1.0\n6.601287 0.014754 0.127778\n0.100635 6.600536 0.127778\n0.014834 0.014642 6.651399\nNa Nd Pt O\n4 4 2 12\ndirect\n0.242507 0.757493 0.500000 Na\n0.754361 0.245639 0.000000 Na\n0.895988 0.754420 0.144584 Na\n0.245579 0.104011 0.855417 Na\n0.611463 0.388536 0.500000 Nd\n0.756659 0.885847 0.647163 Nd\n0.376792 0.623208 0.000000 Nd\n0.114153 0.243340 0.352838 Nd\n0.506961 0.001431 0.243668 Pt\n0.998569 0.493039 0.756333 Pt\n0.073876 0.783638 0.809698 O\n0.449945 0.308095 0.187036 O\n0.574350 0.942342 0.945698 O\n0.797098 0.085366 0.316811 O\n0.057658 0.425649 0.054303 O\n0.216362 0.926124 0.190303 O\n0.914633 0.202901 0.683190 O\n0.554454 0.704090 0.323975 O\n0.431384 0.060611 0.535315 O\n0.295909 0.445546 0.676026 O\n0.691904 0.550054 0.812965 O\n0.939389 0.568616 0.464686 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Na",
"Nd",
"Pt",
"O"
],
"chemical_system": "Na-Nd-O-Pt",
"density": 7.169152645535517,
"density_atomic": 0.07591954471369576,
"volume": 289.78045222696437,
"volume_molar": 7.932266694578342,
"formula_full": "Na4 Nd4 Pt2 O12",
"formula_reduced": "Na2Nd2PtO6",
"formula_anonymous": "AB2C2D6",
"energy_above_hull": 1.8695112181818176,
"spacegroup": 5
},
{
"id": "jvasp-46831",
"created_at": "2022-09-04T14:38:31.947889Z",
"updated_at": "2022-09-04T14:38:31.947919Z",
"structure_string": "Li4 Mn2 C4 O12\n1.0\n0.000000 5.142897 0.046325\n7.850909 0.000000 0.000000\n0.000000 -2.855351 -6.274157\nLi Mn C O\n4 2 4 12\ndirect\n0.387575 0.415880 0.262888 Li\n0.612425 0.915880 0.237111 Li\n0.387576 0.084120 0.762888 Li\n0.612425 0.584120 0.737112 Li\n0.000000 0.000000 0.000000 Mn\n0.000000 0.500000 0.500000 Mn\n0.821987 0.264035 0.146606 C\n0.178014 0.764035 0.353393 C\n0.821987 0.235965 0.646607 C\n0.178014 0.735965 0.853393 C\n0.934360 0.733763 0.866896 O\n0.065641 0.233763 0.633104 O\n0.723707 0.103413 0.703563 O\n0.324349 0.622364 0.402286 O\n0.675651 0.377636 0.597714 O\n0.675651 0.122364 0.097714 O\n0.934360 0.766237 0.366896 O\n0.065640 0.266237 0.133103 O\n0.723707 0.396587 0.203563 O\n0.276294 0.603413 0.796437 O\n0.276293 0.896587 0.296437 O\n0.324350 0.877636 0.902286 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Li",
"Mn",
"C",
"O"
],
"chemical_system": "C-Li-Mn-O",
"density": 2.4858158195160858,
"density_atomic": 0.08720140844176283,
"volume": 252.28950303816052,
"volume_molar": 6.9060131798465925,
"formula_full": "Li4 Mn2 C4 O12",
"formula_reduced": "Li2Mn(CO3)2",
"formula_anonymous": "AB2C2D6",
"energy_above_hull": 3.382180749216301,
"spacegroup": 14
},
{
"id": "jvasp-42717",
"created_at": "2022-09-04T14:37:56.610482Z",
"updated_at": "2022-09-04T14:37:56.610520Z",
"structure_string": "Li2 Mn4 B4 O12\n1.0\n5.265734 -0.054061 -0.005311\n0.244580 5.917744 0.010781\n0.276426 1.122394 7.595279\nLi Mn B O\n2 4 4 12\ndirect\n0.901736 0.631728 0.697654 Li\n0.098264 0.368271 0.302346 Li\n0.413790 0.426527 0.823530 Mn\n0.095560 0.062845 0.682518 Mn\n0.904440 0.937154 0.317482 Mn\n0.586210 0.573472 0.176470 Mn\n0.418234 0.752304 0.495020 B\n0.924126 0.270037 0.991331 B\n0.075873 0.729962 0.008669 B\n0.581766 0.247695 0.504980 B\n0.959527 0.670375 0.177028 O\n0.840130 0.191057 0.478303 O\n0.438157 0.351535 0.369792 O\n0.464393 0.185038 0.670775 O\n0.535607 0.814961 0.329225 O\n0.323099 0.649323 0.988749 O\n0.159870 0.808942 0.521697 O\n0.040472 0.329623 0.822973 O\n0.943241 0.836405 0.870561 O\n0.056759 0.163594 0.129439 O\n0.561843 0.648464 0.630208 O\n0.676901 0.350675 0.011251 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Li",
"Mn",
"B",
"O"
],
"chemical_system": "B-Li-Mn-O",
"density": 3.288995711043727,
"density_atomic": 0.09293590595675193,
"volume": 236.72228482108716,
"volume_molar": 6.4798860010063555,
"formula_full": "Li2 Mn4 B4 O12",
"formula_reduced": "LiMn2(BO3)2",
"formula_anonymous": "AB2C2D6",
"energy_above_hull": 3.3924155135841167,
"spacegroup": 2
},
{
"id": "jvasp-57336",
"created_at": "2022-09-04T14:37:41.738700Z",
"updated_at": "2022-09-04T14:37:41.738729Z",
"structure_string": "Li4 Mn4 Ni2 O12\n1.0\n4.983752 0.000000 0.000000\n-2.491877 4.322427 -0.000000\n-0.000000 -0.000000 10.015123\nLi Mn Ni O\n4 4 2 12\ndirect\n0.168251 0.500000 0.250000 Li\n0.831748 0.500000 0.750000 Li\n0.331748 0.500000 0.750000 Li\n0.668251 0.500000 0.250000 Li\n0.162474 0.324949 0.500000 Mn\n0.837525 0.675052 0.500000 Mn\n0.662474 0.324949 0.000000 Mn\n0.337525 0.675052 0.000000 Mn\n0.500000 -0.000000 0.500000 Ni\n0.000000 0.000000 0.000000 Ni\n0.995799 0.642056 0.105662 O\n0.004200 0.357944 0.894337 O\n0.345839 -0.000000 0.900141 O\n0.845839 -0.000000 0.599859 O\n0.353744 0.357944 0.105662 O\n0.154161 -0.000000 0.400141 O\n0.853743 0.357944 0.394337 O\n0.504200 0.357944 0.605662 O\n0.654160 -0.000000 0.099859 O\n0.495799 0.642056 0.394337 O\n0.646256 0.642056 0.894337 O\n0.146256 0.642056 0.605662 O\n",
"nsites": 22,
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"elements": [
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"Mn",
"Ni",
"O"
],
"chemical_system": "Li-Mn-Ni-O",
"density": 4.286300813718688,
"density_atomic": 0.1019723206870789,
"volume": 215.74482027834893,
"volume_molar": 5.905662163441452,
"formula_full": "Li4 Mn4 Ni2 O12",
"formula_reduced": "Li2Mn2NiO6",
"formula_anonymous": "AB2C2D6",
"energy_above_hull": 2.62788071661442,
"spacegroup": 64
},
{
"id": "jvasp-52251",
"created_at": "2022-09-04T14:37:56.786990Z",
"updated_at": "2022-09-04T14:37:56.787008Z",
"structure_string": "Sr2 H4 Se4 O12\n1.0\n5.932424 -0.006559 -0.017507\n-2.053424 6.997195 0.111454\n-1.930955 -1.474874 7.295013\nSr H Se O\n2 4 4 12\ndirect\n0.331894 0.717259 0.551411 Sr\n0.668105 0.282742 0.448588 Sr\n0.066473 0.955269 0.303478 H\n0.247465 0.964713 0.056136 H\n0.752534 0.035288 0.943862 H\n0.933526 0.044732 0.696521 H\n0.076875 0.302323 0.138281 Se\n0.351167 0.237905 0.777002 Se\n0.648832 0.762096 0.222997 Se\n0.923124 0.697677 0.861718 Se\n0.971903 0.588885 0.678397 O\n0.548861 0.556782 0.305634 O\n0.776476 0.859080 0.783852 O\n0.430727 0.080710 0.647933 O\n0.569272 0.919291 0.352066 O\n0.237879 0.865593 0.950810 O\n0.451138 0.443218 0.694365 O\n0.028096 0.411116 0.321602 O\n0.016867 0.172973 0.664524 O\n0.983132 0.827028 0.335475 O\n0.223523 0.140920 0.216147 O\n0.762120 0.134409 0.049188 O\n",
"nsites": 22,
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"elements": [
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"Se",
"O"
],
"chemical_system": "H-O-Se-Sr",
"density": 3.760504520562309,
"density_atomic": 0.07250982678733925,
"volume": 303.40715148200246,
"volume_molar": 8.305275335523914,
"formula_full": "Sr2 H4 Se4 O12",
"formula_reduced": "SrH2(SeO3)2",
"formula_anonymous": "AB2C2D6",
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"spacegroup": 2
},
{
"id": "jvasp-33415",
"created_at": "2022-09-04T14:38:03.472914Z",
"updated_at": "2022-09-04T14:38:03.472931Z",
"structure_string": "P4 H24 N8 O8\n1.0\n6.895532 0.000000 -3.475957\n0.000000 8.203540 0.000000\n-0.093319 0.000000 7.046909\nP H N O\n4 24 8 8\ndirect\n0.866516 0.467925 0.852603 P\n0.133484 0.967925 0.647396 P\n0.133484 0.532075 0.147396 P\n0.866516 0.032075 0.352603 P\n0.347528 0.244154 0.229395 H\n0.652471 0.744154 0.270605 H\n0.652471 0.755846 0.770605 H\n0.347528 0.255846 0.729395 H\n0.478531 0.063978 0.291380 H\n0.521468 0.563978 0.208620 H\n0.478531 0.436022 0.791380 H\n0.240928 0.070300 0.101120 H\n0.759071 0.570300 0.398879 H\n0.759071 0.929700 0.898879 H\n0.240928 0.429700 0.601120 H\n0.521468 0.936022 0.708620 H\n0.697864 0.592759 0.130947 H\n0.697864 0.907241 0.630947 H\n0.302135 0.407241 0.869053 H\n0.795961 0.279022 0.457952 H\n0.204039 0.779022 0.042048 H\n0.204039 0.720978 0.542048 H\n0.795961 0.220978 0.957952 H\n0.930131 0.308034 0.329209 H\n0.069869 0.808034 0.170790 H\n0.069869 0.691966 0.670790 H\n0.930130 0.191966 0.829209 H\n0.302135 0.092759 0.369053 H\n0.342293 0.118035 0.249585 N\n0.657706 0.618035 0.250414 N\n0.657706 0.881964 0.750414 N\n0.342293 0.381964 0.749585 N\n0.171170 0.767072 0.656938 N\n0.171170 0.732928 0.156938 N\n0.828829 0.267072 0.843062 N\n0.828829 0.232928 0.343062 N\n0.304670 0.450568 0.129843 O\n0.902487 0.516256 0.665682 O\n0.097512 0.016256 0.834318 O\n0.097512 0.483744 0.334318 O\n0.902487 0.983744 0.165682 O\n0.695329 0.549432 0.870157 O\n0.304670 0.049432 0.629843 O\n0.695330 0.950568 0.370157 O\n",
"nsites": 44,
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"elements": [
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],
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"density": 1.6276923199702302,
"density_atomic": 0.11112038791511651,
"volume": 395.96694023072575,
"volume_molar": 5.419474205399857,
"formula_full": "P4 H24 N8 O8",
"formula_reduced": "PH6(NO)2",
"formula_anonymous": "AB2C2D6",
"energy_above_hull": 3.614726272727272,
"spacegroup": 14
},
{
"id": "jvasp-48196",
"created_at": "2022-09-04T14:37:56.765070Z",
"updated_at": "2022-09-04T14:37:56.765082Z",
"structure_string": "Li4 Co4 Si2 O12\n1.0\n0.000000 4.850741 0.000000\n-4.181891 2.425371 0.000000\n0.000000 0.000000 9.660243\nLi Co Si O\n4 4 2 12\ndirect\n0.143747 0.500000 0.750000 Li\n0.356253 0.500000 0.250000 Li\n0.643747 0.500000 0.750000 Li\n0.856253 0.500000 0.250000 Li\n0.664533 0.670934 0.000000 Co\n0.164533 0.670934 0.500000 Co\n0.335467 0.329066 0.000000 Co\n0.835467 0.329066 0.500000 Co\n0.500000 0.000000 0.500000 Si\n0.000000 0.000000 0.000000 Si\n0.187901 0.000000 0.598483 O\n0.312099 0.000000 0.098483 O\n0.182642 0.321075 0.397288 O\n0.996284 0.321075 0.897288 O\n0.496284 0.321075 0.602712 O\n0.503716 0.678925 0.397288 O\n0.003716 0.678925 0.102712 O\n0.817358 0.678925 0.602712 O\n0.317358 0.678925 0.897288 O\n0.687901 0.000000 0.901517 O\n0.682642 0.321075 0.102712 O\n0.812099 0.000000 0.401517 O\n",
"nsites": 22,
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"elements": [
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],
"chemical_system": "Co-Li-O-Si",
"density": 4.335729803610938,
"density_atomic": 0.11226744378886862,
"volume": 195.96063878833334,
"volume_molar": 5.364102500922087,
"formula_full": "Li4 Co4 Si2 O12",
"formula_reduced": "Li2Co2SiO6",
"formula_anonymous": "AB2C2D6",
"energy_above_hull": 2.6346174,
"spacegroup": 64
},
{
"id": "jvasp-26654",
"created_at": "2022-09-04T14:37:56.987809Z",
"updated_at": "2022-09-04T14:37:56.987818Z",
"structure_string": "K4 Zn2 Si4 O12\n1.0\n5.745253 -0.032216 -0.000000\n-2.293833 5.267572 -0.000000\n0.000000 -0.000000 10.542996\nK Zn Si O\n4 2 4 12\ndirect\n0.286486 0.943650 0.574002 K\n0.056350 0.713513 0.925999 K\n0.713513 0.056349 0.074001 K\n0.943649 0.286485 0.425999 K\n0.195024 0.804976 0.250000 Zn\n0.804976 0.195023 0.750000 Zn\n0.362186 0.330865 0.863475 Si\n0.330866 0.362186 0.136525 Si\n0.669134 0.637813 0.636525 Si\n0.637813 0.669134 0.363475 Si\n0.217078 0.054843 0.121083 O\n0.117572 0.473808 0.164646 O\n0.449870 0.550129 0.750000 O\n0.945157 0.782921 0.378917 O\n0.054843 0.217078 0.878917 O\n0.550129 0.449870 0.250000 O\n0.882427 0.526191 0.664646 O\n0.512007 0.512007 0.500000 O\n0.526191 0.882427 0.335354 O\n0.782922 0.945156 0.621084 O\n0.473808 0.117572 0.835354 O\n0.487993 0.487992 0.000000 O\n",
"nsites": 22,
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"elements": [
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],
"chemical_system": "K-O-Si-Zn",
"density": 3.086140580019288,
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"volume": 318.28920855083805,
"volume_molar": 8.712647346737011,
"formula_full": "K4 Zn2 Si4 O12",
"formula_reduced": "K2Zn(SiO3)2",
"formula_anonymous": "AB2C2D6",
"energy_above_hull": 1.673714054545454,
"spacegroup": 20
},
{
"id": "jvasp-47749",
"created_at": "2022-09-04T14:38:14.708386Z",
"updated_at": "2022-09-04T14:38:14.708409Z",
"structure_string": "Li4 Cr2 Si4 O12\n1.0\n2.990309 4.948446 0.075178\n-2.990309 4.948446 -0.075178\n-0.339505 0.000000 8.912985\nLi Cr Si O\n4 2 4 12\ndirect\n0.605408 0.690503 0.884928 Li\n0.309498 0.394593 0.384928 Li\n0.690502 0.605409 0.615073 Li\n0.394592 0.309498 0.115073 Li\n0.238859 0.238860 0.750000 Cr\n0.761141 0.761141 0.250000 Cr\n0.127246 0.793216 0.639443 Si\n0.206785 0.872754 0.139443 Si\n0.793215 0.127247 0.860557 Si\n0.872754 0.206785 0.360557 Si\n0.762705 0.508443 0.409043 O\n0.491557 0.237296 0.909043 O\n0.000000 0.000000 0.000000 O\n0.131232 0.131232 0.250000 O\n-0.000000 0.000000 0.500000 O\n0.351306 0.846443 0.723559 O\n0.508443 0.762705 0.090957 O\n0.237295 0.491558 0.590958 O\n0.153558 0.648694 0.223559 O\n0.846442 0.351307 0.776442 O\n0.868768 0.868769 0.750000 O\n0.648694 0.153558 0.276442 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Li",
"Cr",
"Si",
"O"
],
"chemical_system": "Cr-Li-O-Si",
"density": 2.742663029154481,
"density_atomic": 0.08332377007081777,
"volume": 264.03029989283925,
"volume_molar": 7.2273983220895035,
"formula_full": "Li4 Cr2 Si4 O12",
"formula_reduced": "Li2Cr(SiO3)2",
"formula_anonymous": "AB2C2D6",
"energy_above_hull": 2.7396295999999998,
"spacegroup": 15
},
{
"id": "jvasp-117427",
"created_at": "2022-09-04T14:38:26.535229Z",
"updated_at": "2022-09-04T14:38:26.535250Z",
"structure_string": "Li2 Mn4 B4 O12\n1.0\n5.266902 -0.008390 -2.246986\n-2.612193 8.709285 -0.184806\n-0.100421 0.037295 5.202057\nLi Mn B O\n2 4 4 12\ndirect\n0.674340 0.189478 0.254120 Li\n0.325659 0.810522 0.745880 Li\n0.744371 0.398851 0.759840 Mn\n0.751895 0.870240 0.277613 Mn\n0.248103 0.129760 0.722386 Mn\n0.255629 0.601146 0.240160 Mn\n0.744720 0.053602 0.780268 B\n0.742223 0.530531 0.274335 B\n0.257778 0.469470 0.725665 B\n0.255280 0.946398 0.219731 B\n0.281120 0.606896 0.622373 O\n0.332932 0.825571 0.141082 O\n0.358085 0.357831 0.661934 O\n0.705431 0.918280 0.887478 O\n0.294569 0.081720 0.112521 O\n0.839327 0.070510 0.566349 O\n0.667067 0.174429 0.858917 O\n0.718882 0.393104 0.377625 O\n0.862281 0.559850 0.087177 O\n0.137726 0.440154 0.912829 O\n0.641911 0.642167 0.338063 O\n0.160672 0.929490 0.433650 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Li",
"Mn",
"B",
"O"
],
"chemical_system": "B-Li-Mn-O",
"density": 3.2879282722460004,
"density_atomic": 0.09290574374298344,
"volume": 236.79913763847907,
"volume_molar": 6.481989721388795,
"formula_full": "Li2 Mn4 B4 O12",
"formula_reduced": "LiMn2(BO3)2",
"formula_anonymous": "AB2C2D6",
"energy_above_hull": 3.390406422675026,
"spacegroup": 2
}
]
}