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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_anonymous&page=32",
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"results": [
{
"id": "jvasp-9510",
"created_at": "2022-09-04T14:37:09.057001Z",
"updated_at": "2022-09-04T14:37:09.057021Z",
"structure_string": "Mg2 Fe2 P2 O10\n1.0\n5.325459 0.040586 -0.008478\n-1.033583 5.232879 0.047639\n-1.777667 -2.123690 6.279611\nMg Fe P O\n2 2 2 10\ndirect\n0.384875 0.238426 0.809213 Mg\n0.757121 0.887788 0.319070 Mg\n-0.003263 0.508671 0.510273 Fe\n0.014689 0.484239 0.011628 Fe\n0.637361 0.827079 0.756097 P\n0.342970 0.130639 0.256960 P\n0.657682 0.604375 0.863165 O\n0.803642 0.809671 0.601803 O\n0.308613 0.284845 0.092218 O\n0.127104 0.154879 0.369545 O\n0.631622 0.233137 0.422997 O\n0.336265 0.835550 0.149080 O\n0.339865 0.816513 0.637082 O\n0.730080 0.109364 0.923992 O\n0.914770 0.579348 0.258609 O\n0.084591 0.414227 0.751135 O\n",
"nsites": 16,
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"elements": [
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"chemical_system": "Fe-Mg-O-P",
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"density_atomic": 0.09106522573825424,
"volume": 175.69824123632296,
"volume_molar": 6.612997125059833,
"formula_full": "Mg2 Fe2 P2 O10",
"formula_reduced": "MgFePO5",
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"spacegroup": 1
},
{
"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-111627",
"created_at": "2022-09-04T14:38:40.650589Z",
"updated_at": "2022-09-04T14:38:40.650623Z",
"structure_string": "Ca2 Zn2 Si2 O10\n1.0\n8.417950 -0.019598 0.572174\n-7.005056 4.668130 0.572174\n-0.011802 -0.038828 5.414475\nCa Zn Si O\n2 2 2 10\ndirect\n0.225511 0.083976 0.112755 Ca\n0.083976 0.225511 0.612755 Ca\n0.768817 0.269285 0.992445 Zn\n0.269285 0.768818 0.492445 Zn\n0.650895 0.376216 0.508187 Si\n0.376216 0.650896 0.008186 Si\n0.787872 0.836387 0.365883 O\n0.836387 0.787872 0.865883 O\n0.702999 0.992231 0.922337 O\n0.992231 0.702999 0.422337 O\n0.597137 0.179209 0.339378 O\n0.179209 0.597137 0.839378 O\n0.549997 0.232902 0.807729 O\n0.232902 0.549998 0.307729 O\n0.441465 0.347094 0.435286 O\n0.347094 0.441465 0.935286 O\n",
"nsites": 16,
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"elements": [
"Ca",
"Zn",
"Si",
"O"
],
"chemical_system": "Ca-O-Si-Zn",
"density": 3.339385751151804,
"density_atomic": 0.07533004872820949,
"volume": 212.39864131414458,
"volume_molar": 7.994340720165813,
"formula_full": "Ca2 Zn2 Si2 O10",
"formula_reduced": "CaZnSiO5",
"formula_anonymous": "ABCD5",
"energy_above_hull": 1.6556158649999997,
"spacegroup": 9
},
{
"id": "jvasp-95585",
"created_at": "2022-09-04T14:36:09.882986Z",
"updated_at": "2022-09-04T14:36:09.883012Z",
"structure_string": "Li4 Ti4 P4 O20\n1.0\n6.429033 -0.000000 0.000000\n-0.000000 7.257740 0.000000\n0.000000 0.000000 7.414474\nLi Ti P O\n4 4 4 20\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.500000 Li\n0.000000 0.500000 0.500000 Li\n0.500000 0.000000 0.000000 Li\n0.250000 0.721344 0.164216 Ti\n0.750000 0.278656 0.835783 Ti\n0.250000 0.778656 0.664216 Ti\n0.750000 0.221344 0.335784 Ti\n0.250000 0.130533 0.374007 P\n0.750000 0.869467 0.625992 P\n0.750000 0.630533 0.125992 P\n0.250000 0.369467 0.874007 P\n0.056285 0.255771 0.372353 O\n0.943714 0.744229 0.627646 O\n0.556285 0.755771 0.127646 O\n0.250000 0.015038 0.549126 O\n0.750000 0.984962 0.450873 O\n0.750000 0.515038 0.950873 O\n0.250000 0.484962 0.049127 O\n0.750000 0.503517 0.294513 O\n0.250000 0.496483 0.705487 O\n0.250000 0.003517 0.205487 O\n0.750000 -0.003517 0.794513 O\n0.056285 0.244229 0.872353 O\n0.250000 0.654532 0.389420 O\n0.250000 0.845468 0.889419 O\n0.750000 0.154532 0.110580 O\n0.443714 0.244229 0.872353 O\n0.943714 0.755771 0.127646 O\n0.556285 0.744229 0.627646 O\n0.443714 0.255771 0.372353 O\n0.750000 0.345468 0.610580 O\n",
"nsites": 32,
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"elements": [
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"Ti",
"P",
"O"
],
"chemical_system": "Li-O-P-Ti",
"density": 3.182808969280298,
"density_atomic": 0.09249591878033343,
"volume": 345.9612102021075,
"volume_molar": 6.5107097041782485,
"formula_full": "Li4 Ti4 P4 O20",
"formula_reduced": "LiTiPO5",
"formula_anonymous": "ABCD5",
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"spacegroup": 62
},
{
"id": "jvasp-11400",
"created_at": "2022-09-04T14:37:34.115931Z",
"updated_at": "2022-09-04T14:37:34.115973Z",
"structure_string": "Ca2 Ta2 Al2 O10\n1.0\n5.455377 0.006063 -1.377767\n-1.995926 5.077150 -1.377767\n-0.005526 -0.008119 7.408524\nCa Ta Al O\n2 2 2 10\ndirect\n0.332820 0.667178 0.749999 Ca\n0.667178 0.332821 0.249999 Ca\n0.000000 0.000000 0.000000 Ta\n-0.000000 -0.000000 0.500000 Ta\n0.683440 0.316559 0.749999 Al\n0.316559 0.683440 0.249999 Al\n0.075383 0.924616 0.749999 O\n0.924616 0.075384 0.249999 O\n0.097831 0.691102 0.386391 O\n0.308897 0.902168 0.113608 O\n0.902168 0.308897 0.613607 O\n0.691101 0.097831 0.886391 O\n0.367876 0.251525 0.585034 O\n0.748473 0.632123 0.914964 O\n0.632122 0.748474 0.414965 O\n0.251525 0.367877 0.085034 O\n",
"nsites": 16,
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"elements": [
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"Al",
"O"
],
"chemical_system": "Al-Ca-O-Ta",
"density": 5.309464411301051,
"density_atomic": 0.07798514957228718,
"volume": 205.1672669444461,
"volume_molar": 7.7221635055246844,
"formula_full": "Ca2 Ta2 Al2 O10",
"formula_reduced": "CaTaAlO5",
"formula_anonymous": "ABCD5",
"energy_above_hull": 2.50223499,
"spacegroup": 15
},
{
"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,
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"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",
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"spacegroup": 1
},
{
"id": "jvasp-56641",
"created_at": "2022-09-04T14:38:33.489325Z",
"updated_at": "2022-09-04T14:38:33.489347Z",
"structure_string": "V2 Bi2 Pb2 O10\n1.0\n5.723814 -0.027385 0.060238\n-2.768294 6.696620 -0.039013\n-0.913116 -2.614649 6.667820\nV Bi Pb O\n2 2 2 10\ndirect\n0.426379 0.698754 0.622039 V\n0.730452 0.389096 0.923279 V\n0.005119 0.019084 0.018014 Bi\n0.151722 0.068763 0.527292 Bi\n0.764963 0.359632 0.391705 Pb\n0.391889 0.728221 0.153601 Pb\n0.321308 0.063198 0.269979 O\n0.941318 0.331295 0.068376 O\n0.911486 0.658482 0.959563 O\n0.631052 0.229693 0.669265 O\n0.835537 0.024653 0.275316 O\n0.525764 0.858171 0.876049 O\n0.695883 0.736533 0.529928 O\n0.460966 0.351321 0.015412 O\n0.215521 0.756544 0.476921 O\n0.245338 0.429369 0.585767 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
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"Pb",
"O"
],
"chemical_system": "Bi-O-Pb-V",
"density": 7.117409943463033,
"density_atomic": 0.06267309652943116,
"volume": 255.29295480855063,
"volume_molar": 9.608813180583818,
"formula_full": "V2 Bi2 Pb2 O10",
"formula_reduced": "VBiPbO5",
"formula_anonymous": "ABCD5",
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"spacegroup": 2
},
{
"id": "jvasp-9485",
"created_at": "2022-09-04T14:38:32.517301Z",
"updated_at": "2022-09-04T14:38:32.517316Z",
"structure_string": "Ti2 Zn2 P2 O10\n1.0\n5.161547 -0.080706 -0.103230\n-0.886769 5.535033 0.022630\n-1.952249 -2.287592 6.510370\nTi Zn P O\n2 2 2 10\ndirect\n0.499530 0.000352 0.499952 Ti\n0.499532 0.000338 -0.000043 Ti\n0.218139 0.338697 0.716803 Zn\n0.780920 0.661973 0.283121 Zn\n0.820217 0.641788 0.759941 P\n0.178848 0.358911 0.239975 P\n0.574427 0.639236 0.848151 O\n0.759764 0.765456 0.588664 O\n0.424634 0.361445 0.151759 O\n0.239314 0.235259 0.411259 O\n0.170135 0.643712 0.341235 O\n0.897672 0.226237 0.067026 O\n0.828934 0.356989 0.658667 O\n0.101387 0.774457 0.932895 O\n0.621091 0.943984 0.263001 O\n0.377989 0.056697 0.736911 O\n",
"nsites": 16,
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"elements": [
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],
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"density": 4.037042596739417,
"density_atomic": 0.08673173628284458,
"volume": 184.4768787727449,
"volume_molar": 6.9434108183432866,
"formula_full": "Ti2 Zn2 P2 O10",
"formula_reduced": "TiZnPO5",
"formula_anonymous": "ABCD5",
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"spacegroup": 2
},
{
"id": "jvasp-29471",
"created_at": "2022-09-04T14:37:52.241370Z",
"updated_at": "2022-09-04T14:37:52.241393Z",
"structure_string": "Ag4 Te4 N4 O20\n1.0\n5.373362 -0.000000 0.000000\n0.000000 5.569491 0.000000\n0.000000 0.000000 14.100129\nAg Te N O\n4 4 4 20\ndirect\n0.250000 0.500000 0.613787 Ag\n0.750000 0.500000 0.386213 Ag\n0.250000 0.000000 0.113787 Ag\n0.750000 0.000000 0.886213 Ag\n0.750000 0.000000 0.564055 Te\n0.250000 0.000000 0.435945 Te\n0.250000 0.500000 0.935945 Te\n0.750000 0.500000 0.064055 Te\n0.250000 0.500000 0.255472 N\n0.250000 0.000000 0.755472 N\n0.750000 0.500000 0.744528 N\n0.750000 0.000000 0.244528 N\n0.609168 0.355735 0.788473 O\n0.437225 0.207390 0.523015 O\n0.437225 0.292610 0.023015 O\n0.062774 0.792610 0.523015 O\n0.250000 0.000000 0.846330 O\n0.890831 0.644264 0.788473 O\n0.750000 0.000000 0.153670 O\n0.062774 0.707389 0.023015 O\n0.250000 0.500000 0.346330 O\n0.390831 0.644264 0.211527 O\n0.609168 0.144264 0.288473 O\n0.390831 0.855735 0.711527 O\n0.109169 0.355735 0.211527 O\n0.562774 0.707389 0.976985 O\n0.562774 0.792610 0.476985 O\n0.890831 0.855735 0.288473 O\n0.109169 0.144264 0.711527 O\n0.937225 0.292610 0.976985 O\n0.750000 0.500000 0.653670 O\n0.937225 0.207390 0.476985 O\n",
"nsites": 32,
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"density_atomic": 0.07583423082909954,
"volume": 421.97302788123983,
"volume_molar": 7.941190533825722,
"formula_full": "Ag4 Te4 N4 O20",
"formula_reduced": "AgTeNO5",
"formula_anonymous": "ABCD5",
"energy_above_hull": 2.522920722083333,
"spacegroup": 60
},
{
"id": "jvasp-100424",
"created_at": "2022-09-04T14:36:44.055724Z",
"updated_at": "2022-09-04T14:36:44.055755Z",
"structure_string": "Ca1 Bi1 N1 O5\n1.0\n4.282101 0.016253 -6.511296\n-0.285214 3.588135 -6.912133\n0.022894 -0.016253 7.793129\nCa Bi N O\n1 1 1 5\ndirect\n0.827976 0.827974 -0.000001 Ca\n0.183237 0.183237 -0.000000 Bi\n0.503975 0.503974 -0.000001 N\n0.268861 0.768860 0.500000 O\n0.738957 0.238957 0.499999 O\n0.789127 0.546488 0.242637 O\n0.303851 0.546489 0.757361 O\n0.415018 0.415017 -0.000001 O\n",
"nsites": 8,
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"elements": [
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],
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"density": 4.755289050867842,
"density_atomic": 0.06677979299656658,
"volume": 119.79671755513395,
"volume_molar": 9.017908696287247,
"formula_full": "Ca1 Bi1 N1 O5",
"formula_reduced": "CaBiNO5",
"formula_anonymous": "ABCD5",
"energy_above_hull": 2.40286318375,
"spacegroup": 44
},
{
"id": "jvasp-27055",
"created_at": "2022-09-04T14:38:33.150939Z",
"updated_at": "2022-09-04T14:38:33.150969Z",
"structure_string": "V2 Bi2 Pb2 O10\n1.0\n5.723624 -0.023067 0.064912\n-2.774246 6.694193 -0.045547\n-0.916199 -2.610288 6.669629\nV Bi Pb O\n2 2 2 10\ndirect\n0.847983 0.154840 0.349424 V\n0.152015 0.845159 0.650576 V\n0.573275 0.524806 0.254624 Bi\n0.426723 0.475193 0.745375 Bi\n0.186591 0.815680 0.119041 Pb\n0.813407 0.184319 0.880958 Pb\n0.947317 0.314208 0.603408 O\n0.052681 0.685790 0.396591 O\n0.637125 0.212631 0.204316 O\n0.362872 0.787368 0.795684 O\n0.117555 0.192693 0.257372 O\n0.882442 0.807306 0.742628 O\n0.333108 0.114576 0.686916 O\n0.666890 0.885423 0.313084 O\n0.257128 0.480770 0.002675 O\n0.742870 0.519229 0.997325 O\n",
"nsites": 16,
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"elements": [
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],
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"density": 7.117017015153399,
"density_atomic": 0.06266963655816711,
"volume": 255.30704945367805,
"volume_molar": 9.609343680189564,
"formula_full": "V2 Bi2 Pb2 O10",
"formula_reduced": "VBiPbO5",
"formula_anonymous": "ABCD5",
"energy_above_hull": 2.3128796025,
"spacegroup": 2
},
{
"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,
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"elements": [
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],
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"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
}
]
}