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=formula_anonymous&page=4381",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_anonymous&page=4379",
"results": [
{
"id": "jvasp-47334",
"created_at": "2022-09-04T14:38:03.925655Z",
"updated_at": "2022-09-04T14:38:03.925675Z",
"structure_string": "Li1 V1 F4\n1.0\n3.896256 0.004352 -0.004931\n-0.004231 3.896095 -0.004648\n-1.940119 -1.944963 4.773701\nLi V F\n1 1 4\ndirect\n0.751237 0.248344 0.501965 Li\n0.001252 0.998427 0.002027 V\n0.800141 0.797260 0.599773 F\n0.202420 0.199545 0.404290 F\n0.987680 0.484900 0.975003 F\n0.514770 0.011968 0.029074 F\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Li",
"V",
"F"
],
"chemical_system": "F-Li-V",
"density": 3.0708183616980587,
"density_atomic": 0.08288065753696901,
"volume": 72.39324805457406,
"volume_molar": 7.266038830970685,
"formula_full": "Li1 V1 F4",
"formula_reduced": "LiVF4",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.3215325549999999,
"spacegroup": 119
},
{
"id": "jvasp-52537",
"created_at": "2022-09-04T14:38:08.896919Z",
"updated_at": "2022-09-04T14:38:08.896935Z",
"structure_string": "Ce2 Hf2 O8\n1.0\n-0.442770 0.000000 5.205393\n2.485329 -5.479895 2.581909\n2.485329 5.479895 2.581909\nCe Hf O\n2 2 8\ndirect\n0.750000 0.134007 0.365993 Ce\n0.250000 0.865993 0.634007 Ce\n0.250000 0.400305 0.099695 Hf\n0.750000 0.599695 0.900306 Hf\n0.171915 0.106749 0.045375 O\n0.328085 0.454625 0.393251 O\n0.767004 0.717055 0.266362 O\n0.732995 0.233638 0.782945 O\n0.267004 0.766362 0.217055 O\n0.232996 0.282945 0.733639 O\n0.671915 0.545376 0.606749 O\n0.828084 0.893251 0.954625 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Ce",
"Hf",
"O"
],
"chemical_system": "Ce-Hf-O",
"density": 8.234056040073236,
"density_atomic": 0.07776191000218291,
"volume": 154.3171971941422,
"volume_molar": 7.744332359931679,
"formula_full": "Ce2 Hf2 O8",
"formula_reduced": "CeHfO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.5843404166666666,
"spacegroup": 15
},
{
"id": "jvasp-49944",
"created_at": "2022-09-04T14:38:07.464886Z",
"updated_at": "2022-09-04T14:38:07.464897Z",
"structure_string": "Ta2 As2 O8\n1.0\n0.000000 5.092222 -0.055126\n5.542487 0.000000 0.000000\n0.000000 -1.012138 -5.522698\nTa As O\n2 2 8\ndirect\n0.504055 0.335041 0.509048 Ta\n0.504055 0.664960 0.009048 Ta\n0.048112 0.187767 0.932393 As\n0.048112 0.812233 0.432392 As\n0.791570 0.867210 0.161722 O\n0.661478 0.396006 0.226405 O\n0.264297 0.606556 0.287776 O\n0.258627 0.077349 0.397609 O\n0.791570 0.132791 0.661723 O\n0.661478 0.603995 0.726405 O\n0.264297 0.393445 0.787776 O\n0.258627 0.922651 0.897609 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Ta",
"As",
"O"
],
"chemical_system": "As-O-Ta",
"density": 6.8018108909912245,
"density_atomic": 0.07683465761329158,
"volume": 156.17952071050976,
"volume_molar": 7.837792146233542,
"formula_full": "Ta2 As2 O8",
"formula_reduced": "TaAsO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 3.0746441583333333,
"spacegroup": 7
},
{
"id": "jvasp-9388",
"created_at": "2022-09-04T14:38:08.962600Z",
"updated_at": "2022-09-04T14:38:08.962623Z",
"structure_string": "Nd2 Ta2 O8\n1.0\n0.000000 5.275225 -0.002576\n5.625124 0.000000 0.000000\n0.000000 -0.646723 -5.429802\nNd Ta O\n2 2 8\ndirect\n0.000000 0.764033 0.250000 Nd\n0.000000 0.235967 0.750000 Nd\n0.500001 0.688012 0.750000 Ta\n0.500001 0.311987 0.250000 Ta\n0.274337 0.561374 0.990556 O\n0.725665 0.561374 0.509444 O\n0.725664 0.438626 0.009444 O\n0.274337 0.438626 0.490556 O\n0.743612 0.091344 0.390125 O\n0.256390 0.091344 0.109876 O\n0.256390 0.908655 0.609876 O\n0.743612 0.908655 0.890125 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Nd",
"Ta",
"O"
],
"chemical_system": "Nd-O-Ta",
"density": 8.021500475739543,
"density_atomic": 0.07447300975047434,
"volume": 161.13220131973475,
"volume_molar": 8.08633997763417,
"formula_full": "Nd2 Ta2 O8",
"formula_reduced": "NdTaO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.752089116666667,
"spacegroup": 13
},
{
"id": "jvasp-88371",
"created_at": "2022-09-04T14:37:51.774103Z",
"updated_at": "2022-09-04T14:37:51.774127Z",
"structure_string": "Y4 B16 Mo4\n1.0\n3.642308 0.000000 0.000000\n0.000000 6.026775 0.000000\n0.000000 0.000000 11.643655\nY B Mo\n4 16 4\ndirect\n0.000000 0.373201 0.649787 Y\n0.000000 0.626800 0.350213 Y\n0.000000 0.873202 0.850213 Y\n0.000000 0.126799 0.149787 Y\n0.500000 0.024241 0.693465 B\n0.500000 0.133543 0.968296 B\n0.500000 0.866458 0.031704 B\n0.500000 0.633544 0.531704 B\n0.500000 0.366457 0.468296 B\n0.500000 0.786657 0.186122 B\n0.500000 0.213344 0.813878 B\n0.500000 0.286656 0.313878 B\n0.500000 0.385967 0.047489 B\n0.500000 0.614034 0.952511 B\n0.500000 0.885968 0.452511 B\n0.500000 0.114033 0.547489 B\n0.500000 0.475759 0.193465 B\n0.500000 0.524241 0.806535 B\n0.500000 0.975760 0.306535 B\n0.500000 0.713345 0.686122 B\n0.000000 0.629277 0.083443 Mo\n0.000000 0.129276 0.416557 Mo\n0.000000 0.870725 0.583443 Mo\n0.000000 0.370724 0.916557 Mo\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Y",
"B",
"Mo"
],
"chemical_system": "B-Mo-Y",
"density": 5.927397787702726,
"density_atomic": 0.09389884862582194,
"volume": 255.59418833384993,
"volume_molar": 6.413434081601642,
"formula_full": "Y4 B16 Mo4",
"formula_reduced": "YB4Mo",
"formula_anonymous": "ABC4",
"energy_above_hull": 4.847955280555556,
"spacegroup": 55
},
{
"id": "jvasp-10118",
"created_at": "2022-09-04T14:38:08.996031Z",
"updated_at": "2022-09-04T14:38:08.996058Z",
"structure_string": "Na2 Ag2 F8\n1.0\n5.034058 -0.000000 -2.338677\n-1.086481 4.915414 -2.338677\n-0.010465 -0.013031 6.564777\nNa Ag F\n2 2 8\ndirect\n0.250001 0.250000 0.500000 Na\n0.750001 0.749999 0.500000 Na\n0.000000 0.500000 -0.000000 Ag\n0.500000 0.000000 -0.000000 Ag\n0.948657 0.448656 0.255889 F\n0.692768 0.192767 0.744111 F\n0.051344 0.551343 0.744110 F\n0.192767 0.051344 0.744111 F\n0.307234 0.807233 0.255889 F\n0.448657 0.307233 0.255890 F\n0.807234 0.948656 0.255889 F\n0.551345 0.692766 0.744110 F\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Na",
"Ag",
"F"
],
"chemical_system": "Ag-F-Na",
"density": 4.237022125465346,
"density_atomic": 0.07401232341090673,
"volume": 162.13516137545867,
"volume_molar": 8.136673032902728,
"formula_full": "Na2 Ag2 F8",
"formula_reduced": "NaAgF4",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0,
"spacegroup": 140
},
{
"id": "jvasp-52267",
"created_at": "2022-09-04T14:38:09.004340Z",
"updated_at": "2022-09-04T14:38:09.004361Z",
"structure_string": "Li2 Cu2 F8\n1.0\n0.000000 5.557526 -0.021841\n4.719298 0.000000 0.000000\n0.000000 -2.818644 -5.058091\nLi Cu F\n2 2 8\ndirect\n0.500001 0.000000 0.500000 Li\n0.500000 0.500000 -0.000000 Li\n0.000000 0.500000 0.500000 Cu\n0.000000 0.000000 0.000000 Cu\n0.152672 0.711497 0.799161 F\n0.152672 0.788503 0.299161 F\n0.322875 0.307678 0.640942 F\n0.677127 0.807678 0.859057 F\n0.322874 0.192322 0.140943 F\n0.677126 0.692322 0.359057 F\n0.847329 0.211497 0.700839 F\n0.847329 0.288503 0.200839 F\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Li",
"Cu",
"F"
],
"chemical_system": "Cu-F-Li",
"density": 3.659010299106345,
"density_atomic": 0.09025798561291777,
"volume": 132.9522248752974,
"volume_molar": 6.672141771285118,
"formula_full": "Li2 Cu2 F8",
"formula_reduced": "LiCuF4",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0022967137499999,
"spacegroup": 14
},
{
"id": "jvasp-10119",
"created_at": "2022-09-04T14:38:10.342738Z",
"updated_at": "2022-09-04T14:38:10.342757Z",
"structure_string": "K2 Ag2 F8\n1.0\n5.354048 -0.000000 -2.417696\n-1.091744 5.241557 -2.417696\n0.003195 0.003929 7.144260\nK Ag F\n2 2 8\ndirect\n0.250000 0.250000 0.500000 K\n0.750001 0.750000 0.499999 K\n0.000000 0.500000 -0.000000 Ag\n0.500000 0.000000 -0.000000 Ag\n0.947957 0.447957 0.232019 F\n0.715937 0.215937 0.767980 F\n0.052044 0.552044 0.767981 F\n0.215936 0.052044 0.767980 F\n0.284064 0.784063 0.232019 F\n0.447956 0.284063 0.232019 F\n0.784064 0.947957 0.232019 F\n0.552044 0.715938 0.767980 F\n",
"nsites": 12,
"nelements": 3,
"elements": [
"K",
"Ag",
"F"
],
"chemical_system": "Ag-F-K",
"density": 3.6913579892571344,
"density_atomic": 0.059822029515601866,
"volume": 200.5949998214344,
"volume_molar": 10.066761038973777,
"formula_full": "K2 Ag2 F8",
"formula_reduced": "KAgF4",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0,
"spacegroup": 140
},
{
"id": "jvasp-45776",
"created_at": "2022-09-04T14:38:00.089688Z",
"updated_at": "2022-09-04T14:38:00.089711Z",
"structure_string": "Li4 V4 F16\n1.0\n0.000000 5.229115 -0.088600\n5.577814 0.000000 0.000000\n0.000000 -3.962146 -9.829829\nLi V F\n4 4 16\ndirect\n0.368190 0.132702 0.207330 Li\n0.631809 0.632701 0.292670 Li\n0.368189 0.367298 0.707330 Li\n0.631809 0.867298 0.792670 Li\n0.761193 0.151968 0.506444 V\n0.238805 0.651968 0.993556 V\n0.761193 0.348031 0.006444 V\n0.238805 0.848031 0.493556 V\n-0.009227 0.133432 0.126944 F\n-0.014087 0.619729 0.096555 F\n0.526079 0.149459 0.865350 F\n0.503681 0.614244 0.892511 F\n0.014086 0.119729 0.403445 F\n0.009227 0.633431 0.373056 F\n-0.009228 0.366568 0.626944 F\n0.014086 0.380271 0.903446 F\n0.496318 0.385755 0.107489 F\n0.473919 0.850540 0.134650 F\n0.473919 0.649459 0.634650 F\n0.009226 0.866568 0.873056 F\n0.526079 0.350541 0.365350 F\n0.503681 0.885755 0.392511 F\n-0.014087 0.880270 0.596555 F\n0.496317 0.114245 0.607489 F\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Li",
"V",
"F"
],
"chemical_system": "F-Li-V",
"density": 3.0804776281493442,
"density_atomic": 0.0831413588421301,
"volume": 288.6649957883358,
"volume_molar": 7.243255154675689,
"formula_full": "Li4 V4 F16",
"formula_reduced": "LiVF4",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.327532555,
"spacegroup": 14
},
{
"id": "jvasp-11726",
"created_at": "2022-09-04T14:38:05.812711Z",
"updated_at": "2022-09-04T14:38:05.812735Z",
"structure_string": "Er2 V2 O8\n1.0\n5.685008 -0.005444 -1.671974\n-3.184177 4.709605 -1.671974\n0.002895 0.005444 5.925776\nEr V O\n2 2 8\ndirect\n0.124999 0.874999 0.250000 Er\n0.875000 0.125000 0.750001 Er\n0.374999 0.624999 0.750001 V\n0.625000 0.375000 0.250001 V\n0.801011 0.364480 0.063470 O\n0.737540 0.801010 0.936532 O\n0.364478 0.801010 0.563470 O\n0.801010 0.737541 0.436532 O\n0.262458 0.198989 0.063469 O\n0.198988 0.635519 0.936531 O\n0.198988 0.262458 0.563469 O\n0.635520 0.198989 0.436532 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Er",
"V",
"O"
],
"chemical_system": "Er-O-V",
"density": 5.907042699796463,
"density_atomic": 0.07563419305615031,
"volume": 158.65839926514826,
"volume_molar": 7.9621934427583625,
"formula_full": "Er2 V2 O8",
"formula_reduced": "ErVO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.300421366666667,
"spacegroup": 141
},
{
"id": "jvasp-10082",
"created_at": "2022-09-04T14:38:09.112094Z",
"updated_at": "2022-09-04T14:38:09.112113Z",
"structure_string": "Re2 Ag2 O8\n1.0\n5.388190 0.001026 -0.001404\n-0.001337 5.388657 -0.005582\n-2.691179 -2.689349 5.811321\nRe Ag O\n2 2 8\ndirect\n0.875004 0.124970 0.249990 Re\n0.124996 0.875032 0.750011 Re\n0.624988 0.374980 0.749997 Ag\n0.375012 0.625022 0.250004 Ag\n0.927788 0.272056 0.078546 O\n0.272068 0.650814 0.578525 O\n0.806481 0.927791 0.578574 O\n0.650756 0.806446 0.078518 O\n0.349244 0.193556 0.921483 O\n0.193519 0.072211 0.421427 O\n0.727932 0.349188 0.421475 O\n0.072211 0.727946 0.921455 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Re",
"Ag",
"O"
],
"chemical_system": "Ag-O-Re",
"density": 7.052007204226064,
"density_atomic": 0.0711612499565332,
"volume": 168.63110200185994,
"volume_molar": 8.46266860640932,
"formula_full": "Re2 Ag2 O8",
"formula_reduced": "ReAgO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.790241543333334,
"spacegroup": 88
},
{
"id": "jvasp-28951",
"created_at": "2022-09-04T14:38:10.952944Z",
"updated_at": "2022-09-04T14:38:10.952968Z",
"structure_string": "Mo2 W2 Se8\n1.0\n3.327482 0.000006 0.000001\n-1.663736 2.881708 -0.000028\n0.000013 -0.000314 35.258607\nMo W Se\n2 2 8\ndirect\n0.333307 0.666616 0.094787 Mo\n0.666692 0.333387 0.656671 Mo\n0.333323 0.666645 0.469498 W\n0.666676 0.333358 0.281960 W\n0.333347 0.666696 0.329676 Se\n0.333361 0.666723 0.704081 Se\n0.666638 0.333280 0.047377 Se\n0.666652 0.333307 0.421782 Se\n0.666646 0.333298 0.142254 Se\n0.666663 0.333330 0.517217 Se\n0.333336 0.666673 0.234241 Se\n0.333353 0.666705 0.609204 Se\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Mo",
"W",
"Se"
],
"chemical_system": "Mo-Se-W",
"density": 5.850824565094291,
"density_atomic": 0.03549359232924337,
"volume": 338.08919335880046,
"volume_molar": 16.96683926534628,
"formula_full": "Mo2 W2 Se8",
"formula_reduced": "MoWSe4",
"formula_anonymous": "ABC4",
"energy_above_hull": 3.511516561111112,
"spacegroup": 164
}
]
}