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Pokémon (species) headcanons

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An Electabuzz can replicate a Electirizer’s effect by going out and absorbing a big enough lightning bolt in a storm. Since that can overload their bodies and often results in death, trainers prefer evolving it the safer way and the lightning absorption is done by the Electivire as a rite of passage of sorts.
 
Sell a Flareon
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The entire Eevee species are actually Alien Pokémon (it's unknown if Eevee evolution line are Ultra Beast Pokémon or not), which are originally not native to any core-series Pokémon World. Their mammalian appearances have disguised their alien origins from public sight in decades or centuries.

The earliest Eevee come from outer space.
 
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Since I got an UB inspiration...

-Nihilego often play with each other by latching tentacles and making slow floating dances

-Buzzwole claim their territories by engaging in expanding contests. The clashing Buzzwole will expand their bodies as much as possible as an intimidation display before engaging into a brawl

-Pheromosa are intelligent enough to figure out the function of technology. For that reason, specimens brought into the overworld developed a liking for cameras

-Xurkitree have very high metabolisms. Since their homeworld is constantly ravaged by electrical storms and its soil is composed by radioactive compounds, they are usually well supplied. Since the overworld doesn’t have nearly as much electricity, they must constantly root themselves and absorb energy from the ground or power plants or they will starve

-the Kartana kind developed a friendship with its world’s humans after they taught it to use its cutting abilities to craft and make sculptures. The practice has become a common sport between specimens

-Celesteela are fairly docile because they simply don’t care about their surroundings; as such, they have no qualms about blasting off in densely populated areas, even if the shockwave will likely destroy everything in its radius

-Blacephalon aren’t aggressive so much as they like to put on a show; when they arrive in the overworld and meet strange new creatures, they get excited and put on overly daring displays without realising the average life form can’t recover from fiery explosions nearly as well as they can

-Stakataka unities work as a hive mind and can change the shape of the colony at will; they usually pick the rectangular tower form because it covers all angles

-Naganadel lay hundreds of tiny eggs at a time and must fiercely protect them from rivals wishing to destroy them; afterwards, the hatchlings will attempt to do the same to their unborn siblings, making their survival rate difficult

-Guzzlord’s diet influences its growth: the largest documented specimen in the multiverse was far larger than a Wailord, result of feeding off the ruins of a nuclear usine
 
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Golurk are scarcely seen in high stakes competitive battles because, while immensely versatile and powerful, they lack independence and creativity, forcing trainers to constantly bark out orders in battles where every second counts.
 
Looking for a way to be whole again.
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Necrozma's most body parts are made of light, the only hard part is the prism that it always had. Moreover, it was the creator of the first two Cosmogs that would become the first Solgaleo and Lunala. Much like other Pokemon, it too can be tamed by a trainer if enough time is dedicated and can become friendly if the trainer takes care of it the right way. While Necrozma can regenerate the prism body parts, it cannot regenerate light, which is why it keeps going after light sources, especially when they are infinite sources like Solgaleo and Lunala.
 
Sell a Flareon
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Some street cleaners and janitors use Gengar to clear the trash on streets. Since it's slimy in textures, and also composed of organic wastages (like its previous forms Gastly and Haunter, who were sources of pollution), the Ghost/Poison-type Pokémon can be an effective cleaner in heavily polluted areas.
 
Gone batty.
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composed of organic wastages (like its previous forms Gastly and Haunter, who were sources of pollution)
Actually, sometime ago I joined a fan project aiming to create an extended Pokedex - and two entries I already wrote, on Zubat and Gastly, led to me creating multiple headcanons on those two Pokemon and their families.

Gastly, Shuppet, Honedge and several other Ghost type are all the same type of spirit - only difference is their choice of physical body and hunting method.
Gastly's body is made mostly of hydrogen and cyanide, with a mix of iodine giving it its purple colour. Although we calculated that a mass of cyanide high enough to kill idian elephant in two seconds is far higher than Gastly's own mass, we came up with a reasonable (by Pokemon standards) solution: Gastly possesses weak but accurate telekinetic powers - accurate enough to manipulate singular molecules - meaning that it can make its cyanide body "more" poisonous by shoving it whole into its prey's lungs rather than hoping large enough part of it will be inhaled. This also means that no protection short of an airtight full body suit will protect you - if it wants to kill you, just a smallest hole will be enough to make you absorb huge ammounts of poison through skin.

Zubats are bald and lack skin pigment - thus their vulnerability to sunburns. Cyan colour of their skin is due to their blood being based on cooper rather than iron, thus making it blue. Green shiny coloration is a symptom of anemia. Zubat's tongue is bioluminescent, serving as a lure for prey and allowing it to use Confuse Ray.
 
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Goomy’s antennas serve to detect incoming rain. When they sense a rainstorm coming, colonies rush towards the nearest clear spot with hours in advance to get the best spot to bathe and play in the mud later. Since they aren’t exactly fast, groups of swimming Quagsire tend to beat them to it.
 
Laid to Wake
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Personally, I like to think that Gastly and Haunter arise from the gases released by corpses as they decay and break down.

For certain other Ghost-type Pokémon, the way that I think about the soul in the Pokémon world is this - the main component of a soul is the being's essence. This is what makes them who they are. When death occurs, the soul is decoupled from the body, because the body's chi flow stops (and that is what normally magnetizes it to its physical container). However, even after the core essence has passed on (where it goes, if to any one place, isn't known), there is still a spiritual "film" or residue left behind, kind of like a cicada shell. Negative energy can slip into this shell and animate it, which is what results in Pokémon like Yamask and Phantump. Those Pokémon aren't actually the core essence of former living beings, but the "shells" do contain traces of memories and feelings that the soul impressed upon it while it was active, kind of like a thumbprint. Thus, Yamask can "remember" their past lives, but they aren't actually the human spirit itself.

Yamask in particular I think stem from an ancient Unovan burial ceremony that involved the casting of a death mask. These masks are left behind and then claimed by the animate spirit film.

On a note unrelated to Ghost-types, I think that in theory, Palkia should be capable of forcibly de-Dynamaxing a Pokémon, as it could simply unwarp the space around it in order to return the Pokémon to its regular proportions. The Lake trio may also be able to do this if they work as a unit, since the three of them together can "balance space."
 
Looking for a way to be whole again.
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Eternatus's signature move is actually it releasing excess amounts of concentrated energy so it wouldn't become overloaded, this is why it must recharge during the next turn.
 
Swimming through the air and sea!
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I got this idea after watching the Dragon Prince; if a Joltik absorbs too much static electricity, they can get stuck to a host, clothing, and even each other. Some people have even made games out of this along the lines of Jenga and stacking them in a tower. The Joltik don’t mind this as long as they get treats afterwards.
 
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Hawlucha’s battle performance varies according to how entertained it is by the situation. A Hawlucha battling a pokemon of similar size in a plain field without anyone watching is more likely to doze off or lash out in frustration than following orders.
 
Looking for a way to be whole again.
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The DNA Splicers is also a piece of Kyurem, being an artifact that existed before mechanical technology existed. This is also why it's the only legendary-related Key Item to still be near the legendary in most cases when the legendary Pokemon was available to catch. Colress researched its effect to improve the N-Solarizer and N-Lunarizer so they would have the same effect on Necrozma.
 
To all children of the world - congratulations.
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Ghost types fight by possessing nearby objects and slamming into the opponent. They prefer inanimate ones because living creatures would try to resist the possession.

Travelers in Ilex Forest are often jump scared by Misdreavus flying at them and screeching. In the dark, they look like disembodied heads. People in nearby towns try to avoid Ilex Forest because it has a reputation for being creepy.
 
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